#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqs s GLN 32 N 0.00 3.53 -0.27 0.00 -0.21 -1.26 -4.98 119.66 116.47 1tqs s GLN 32 Ca 0.00 1.96 -0.22 0.00 0.02 0.00 0.00 55.36 57.11 1tqs s GLN 32 Cb 0.00 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.64 1tqs s GLN 32 CO 0.00 -0.79 0.72 0.34 -2.12 0.00 0.00 175.29 173.44 1tqs s ASP 33 N -1.19 6.66 0.00 5.90 -1.08 -1.26 -4.85 116.67 120.84 1tqs s ASP 33 Ca 0.66 0.75 0.25 0.00 -0.52 0.00 0.00 52.55 53.69 1tqs s ASP 33 Cb -0.33 -2.38 0.74 0.00 -1.46 0.00 0.00 42.92 39.49 1tqs s ASP 33 CO 0.40 -0.48 1.56 1.33 0.52 0.00 0.00 175.17 178.51 1tqs n VAL 34 N 5.31 0.12 -0.07 1.11 0.24 -1.26 -4.39 118.33 119.39 1tqs n VAL 34 Ca 0.02 -0.38 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 1tqs n VAL 34 Cb 0.48 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 1tqs n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1tqs n VAL 35 N 0.57 0.76 1.00 3.34 0.31 -1.26 -4.86 118.33 118.19 1tqs n VAL 35 Ca 0.17 -0.25 0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1tqs n VAL 35 Cb 0.42 -1.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.05 1tqs n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tqs n GLN 36 N -3.17 0.06 -3.88 5.55 6.02 -1.26 -4.22 117.38 116.48 1tqs n GLN 36 Ca -0.25 -0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.34 1tqs n GLN 36 Cb 0.73 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.36 1tqs n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1tqs s ASP 37 N -2.97 4.97 -0.17 1.08 1.01 -1.26 -4.91 116.67 114.42 1tqs s ASP 37 Ca 0.09 -1.30 -0.29 0.00 0.71 0.00 0.00 52.55 51.75 1tqs s ASP 37 Cb 0.16 -1.74 -0.01 0.00 1.01 0.00 0.00 42.92 42.34 1tqs s ASP 37 CO 0.83 -0.29 1.22 -0.69 0.21 0.00 0.00 175.17 176.46 1tqs s VAL 38 N 1.27 4.35 0.45 -1.27 1.01 -1.26 -4.73 120.40 120.21 1tqs s VAL 38 Ca -0.04 1.63 -0.25 0.00 0.00 0.00 0.00 61.98 63.32 1tqs s VAL 38 Cb -0.20 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 1tqs s VAL 38 CO -0.01 -0.14 1.37 -2.84 0.00 0.00 0.00 175.10 173.49 1tqs s PRO 39 N 3.39 3.71 -0.43 2.72 0.02 -1.26 -4.97 135.00 138.17 1tqs s PRO 39 Ca 0.53 2.30 -0.17 0.00 0.02 0.00 0.00 61.00 63.68 1tqs s PRO 39 Cb -0.21 -2.63 0.03 0.00 0.02 0.00 0.00 34.50 31.71 1tqs s PRO 39 CO 0.14 -0.75 0.41 1.21 -0.33 0.00 0.00 177.00 177.68 1tqs s ASN 40 N -0.66 6.17 0.19 2.53 2.47 -1.26 -5.05 114.94 119.33 1tqs s ASN 40 Ca 0.61 -0.85 0.08 0.00 0.42 0.00 0.00 52.86 53.12 1tqs s ASN 40 Cb -0.41 -2.21 -0.04 0.00 -1.45 0.00 0.00 41.25 37.14 1tqs s ASN 40 CO 0.52 -0.59 -0.16 0.68 -3.72 0.00 0.00 177.10 173.83 1tqs s VAL 41 N 1.99 1.80 0.19 -5.21 -7.23 -1.26 -5.05 120.40 105.64 1tqs s VAL 41 Ca 0.09 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1tqs s VAL 41 Cb -0.19 -1.95 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 1tqs s VAL 41 CO 0.12 -0.46 1.57 0.44 -0.31 0.00 0.00 175.10 176.45 1tqs h ASP 42 N 2.87 0.78 -3.19 4.85 3.32 -1.80 -3.42 116.42 119.84 1tqs h ASP 42 Ca -0.40 -0.33 -0.53 0.00 0.02 0.00 0.00 57.03 55.79 1tqs h ASP 42 Cb 1.22 -0.22 -0.37 0.00 0.22 0.00 0.00 39.33 40.18 1tqs h ASP 42 CO 0.57 1.05 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.65 1tqs s VAL 43 N -4.41 1.03 -0.21 -1.35 1.01 -0.44 -4.99 120.40 111.05 1tqs s VAL 43 Ca -0.09 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1tqs s VAL 43 Cb 0.12 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1tqs s VAL 43 CO 0.85 0.35 -0.14 -1.58 0.00 0.00 0.00 175.10 174.58 1tqs s GLN 44 N 1.70 2.95 0.43 2.72 -0.44 -1.26 -1.32 119.66 124.44 1tqs s GLN 44 Ca 0.05 -0.88 0.11 0.00 -2.50 0.00 0.00 55.36 52.14 1tqs s GLN 44 Cb -0.13 -2.76 0.93 0.00 -1.64 0.00 0.00 33.01 29.41 1tqs s GLN 44 CO -0.08 -0.28 2.00 0.52 0.50 0.00 0.00 175.29 177.95 1tqs h MET 45 N 7.97 0.22 -0.50 1.67 2.86 -1.49 -0.12 114.93 125.54 1tqs h MET 45 Ca -0.40 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.11 1tqs h MET 45 Cb 1.13 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1tqs h MET 45 CO 0.60 0.27 -0.10 1.25 1.06 0.00 0.00 176.91 180.00 1tqs h LEU 46 N 0.22 0.91 -0.31 1.22 5.85 -1.93 -0.65 115.31 120.62 1tqs h LEU 46 Ca 0.05 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.33 1tqs h LEU 46 Cb 0.20 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1tqs h LEU 46 CO 0.01 1.02 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.64 1tqs h GLU 47 N 0.82 0.83 -0.38 1.25 4.22 -1.64 -1.98 114.58 117.71 1tqs h GLU 47 Ca 0.14 -0.48 0.01 0.00 0.08 0.00 0.00 59.36 59.11 1tqs h GLU 47 Cb 0.62 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1tqs h GLU 47 CO 0.04 1.11 0.24 1.25 -2.18 0.00 0.00 179.01 179.47 1tqs h LEU 48 N 0.61 0.40 -1.43 1.64 5.85 -0.95 -2.19 115.31 119.24 1tqs h LEU 48 Ca 0.04 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1tqs h LEU 48 Cb 1.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1tqs h LEU 48 CO 0.10 0.29 0.46 1.88 -0.34 0.00 0.00 178.44 180.83 1tqs h TYR 49 N 0.49 0.69 -0.18 1.25 -1.99 -0.91 0.13 116.97 116.45 1tqs h TYR 49 Ca 0.14 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 1tqs h TYR 49 Cb -0.03 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 1tqs h TYR 49 CO -0.06 0.35 -0.39 0.22 -0.00 0.00 0.00 178.16 178.28 1tqs h ASP 50 N 0.67 0.41 0.44 3.88 -0.00 -0.74 -3.26 116.42 117.82 1tqs h ASP 50 Ca 0.31 -0.17 -0.31 0.00 -0.00 0.00 0.00 57.03 56.87 1tqs h ASP 50 Cb 0.35 -0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.55 1tqs h ASP 50 CO -0.10 0.76 -1.64 0.03 -0.00 0.00 0.00 179.24 178.29 1tqs h ARG 51 N 0.33 0.15 -7.04 0.28 3.08 -0.99 -3.48 114.38 106.71 1tqs h ARG 51 Ca 0.03 -0.26 -0.54 0.00 0.07 0.00 0.00 59.98 59.28 1tqs h ARG 51 Cb 0.83 0.10 0.11 0.00 0.08 0.00 0.00 29.97 31.09 1tqs h ARG 51 CO 0.07 0.92 0.56 -1.64 -1.07 0.00 0.00 179.97 178.81 1tqs s MET 52 N -2.61 3.29 0.09 0.04 -1.94 -0.03 -4.97 119.30 113.17 1tqs s MET 52 Ca -0.09 2.06 0.22 0.00 -1.71 0.00 0.00 55.69 56.17 1tqs s MET 52 Cb 0.07 -2.26 -0.11 0.00 2.01 0.00 0.00 34.83 34.55 1tqs s MET 52 CO 0.83 -1.02 0.85 -1.13 -0.01 0.00 0.00 175.02 174.54 1tqs n SER 53 N -0.94 0.51 -2.44 3.03 3.41 -1.26 -4.98 113.62 110.95 1tqs n SER 53 Ca 0.10 0.08 -0.19 0.00 -0.26 0.00 0.00 58.87 58.61 1tqs n SER 53 Cb 0.46 1.05 -0.01 0.00 -0.26 0.00 0.00 64.21 65.46 1tqs n SER 53 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1tqs n PHE 54 N -2.36 -1.16 -2.34 7.33 3.01 -1.26 -4.92 117.46 115.75 1tqs n PHE 54 Ca -0.01 0.02 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 1tqs n PHE 54 Cb 0.53 -3.66 -0.03 0.00 -0.01 0.00 0.00 39.48 36.30 1tqs n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1tqs s LYS 55 N -5.08 4.47 -1.15 -1.08 -0.14 -1.26 -4.94 119.74 110.57 1tqs s LYS 55 Ca 0.02 1.91 -0.08 0.00 -1.36 0.00 0.00 55.97 56.46 1tqs s LYS 55 Cb -0.01 -3.23 0.25 0.00 -1.68 0.00 0.00 37.83 33.17 1tqs s LYS 55 CO 0.02 -0.11 1.41 -3.47 -0.76 0.00 0.00 175.35 172.44 1tqs n ASP 56 N 2.44 5.70 -4.91 2.83 2.03 -1.26 -5.01 116.55 118.37 1tqs n ASP 56 Ca 0.04 -3.16 -0.31 0.00 0.52 0.00 0.00 54.79 51.88 1tqs n ASP 56 Cb 0.44 -1.39 -0.04 0.00 -0.72 0.00 0.00 41.12 39.40 1tqs n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1tqs s ILE 57 N -1.02 5.27 -0.36 5.18 -4.36 -1.26 -5.02 121.20 119.64 1tqs s ILE 57 Ca 0.34 -0.15 -0.29 0.00 -0.26 0.00 0.00 60.65 60.30 1tqs s ILE 57 Cb -0.01 -3.62 -0.01 0.00 1.25 0.00 0.00 42.46 40.07 1tqs s ILE 57 CO 0.01 0.09 1.61 -0.62 0.24 0.00 0.00 174.94 176.27 1tqs s ASP 58 N -2.44 6.13 0.00 4.36 3.68 -1.26 -4.62 116.67 122.52 1tqs s ASP 58 Ca 0.38 1.12 0.24 0.00 2.13 0.00 0.00 52.55 56.42 1tqs s ASP 58 Cb -0.13 -2.53 1.09 0.00 -1.45 0.00 0.00 42.92 39.90 1tqs s ASP 58 CO 0.26 -1.55 1.74 0.61 0.13 0.00 0.00 175.17 176.36 1tqs n GLY 59 N 5.21 -0.26 0.00 2.66 0.00 0.31 -5.02 105.19 108.09 1tqs n GLY 59 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1tqs n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tqs n GLY 60 N 1.05 0.38 0.34 -0.02 0.00 -1.26 -3.83 105.19 101.85 1tqs n GLY 60 Ca 0.18 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.42 1tqs n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1tqs h VAL 61 N 0.00 1.18 -2.33 1.61 -1.51 -1.93 -3.03 116.25 110.24 1tqs h VAL 61 Ca 0.00 -0.36 -0.63 0.00 -1.23 0.00 0.00 66.70 64.48 1tqs h VAL 61 Cb 0.00 0.18 -0.14 0.00 -2.13 0.00 0.00 31.29 29.20 1tqs h VAL 61 CO 0.00 0.18 0.82 0.86 -1.23 0.00 0.00 177.57 178.20 1tqs s TRP 62 N -5.76 2.73 0.48 5.19 -0.00 -1.20 -4.50 118.94 115.86 1tqs s TRP 62 Ca -0.11 -0.76 0.14 0.00 -0.00 0.00 0.00 56.10 55.38 1tqs s TRP 62 Cb 0.18 -4.39 1.10 0.00 -0.00 0.00 0.00 33.47 30.36 1tqs s TRP 62 CO 0.78 -1.70 2.07 0.87 -0.00 0.00 0.00 176.95 178.96 1tqs h LYS 63 N 9.46 0.05 -0.30 5.86 1.79 -1.81 -1.90 116.57 129.71 1tqs h LYS 63 Ca -0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1tqs h LYS 63 Cb 1.05 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1tqs h LYS 63 CO 1.21 0.12 0.00 1.04 -1.08 0.00 0.00 179.45 180.74 1tqs n GLN 64 N -4.43 3.04 0.00 3.15 6.02 -1.26 -0.53 117.38 123.36 1tqs n GLN 64 Ca -0.02 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.23 1tqs n GLN 64 Cb 0.16 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1tqs n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tqs n GLY 65 N -0.26 3.04 3.73 1.08 0.00 -0.71 -4.65 105.19 107.42 1tqs n GLY 65 Ca 0.20 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1tqs n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1tqs s TRP 66 N 3.64 0.09 -0.61 1.61 -2.14 -1.26 -4.18 118.94 116.10 1tqs s TRP 66 Ca 0.00 -0.52 -0.28 0.00 2.66 0.00 0.00 56.10 57.96 1tqs s TRP 66 Cb 0.00 0.48 0.01 0.00 -3.10 0.00 0.00 33.47 30.87 1tqs s TRP 66 CO 0.00 -1.16 1.41 -0.80 -2.66 0.00 0.00 176.95 173.75 1tqs s ASN 67 N -2.98 6.07 0.23 -2.66 0.01 -1.25 -4.69 114.94 109.66 1tqs s ASN 67 Ca 0.17 0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 52.12 1tqs s ASN 67 Cb -0.04 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 1tqs s ASN 67 CO 0.09 -1.80 1.26 -0.63 -1.51 0.00 0.00 177.10 174.51 1tqs s ILE 68 N 6.23 3.22 0.08 0.60 1.01 -1.26 -5.03 121.20 126.05 1tqs s ILE 68 Ca 0.49 1.07 0.09 0.00 0.00 0.00 0.00 60.65 62.30 1tqs s ILE 68 Cb -0.10 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1tqs s ILE 68 CO 0.22 0.19 -0.21 -0.54 0.00 0.00 0.00 174.94 174.60 1tqs s LYS 69 N -0.59 1.81 0.05 2.79 1.02 -1.26 -4.98 119.74 118.58 1tqs s LYS 69 Ca 0.53 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.37 1tqs s LYS 69 Cb -0.36 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1tqs s LYS 69 CO 0.41 0.50 -0.02 1.52 -0.92 0.00 0.00 175.35 176.84 1tqs s TYR 70 N -1.00 0.47 -0.32 3.18 -0.85 -1.26 -4.99 117.35 112.59 1tqs s TYR 70 Ca 0.15 -0.99 -0.17 0.00 -0.52 0.00 0.00 57.07 55.54 1tqs s TYR 70 Cb -0.10 -0.35 -0.02 0.00 0.38 0.00 0.00 41.96 41.87 1tqs s TYR 70 CO 0.06 -0.37 0.48 0.34 -1.52 0.00 0.00 175.55 174.54 1tqs s ASP 71 N -2.77 6.32 0.57 -0.18 -1.08 -1.26 -4.95 116.67 113.32 1tqs s ASP 71 Ca 0.05 0.13 0.27 0.00 -0.52 0.00 0.00 52.55 52.48 1tqs s ASP 71 Cb 0.06 -2.25 1.53 0.00 -1.46 0.00 0.00 42.92 40.80 1tqs s ASP 71 CO -0.09 -0.37 2.03 -0.65 0.52 0.00 0.00 175.17 176.60 1tqs h PRO 72 N 8.31 0.00 0.00 4.34 0.11 -2.00 -0.89 132.00 141.88 1tqs h PRO 72 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1tqs h PRO 72 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1tqs h PRO 72 CO 0.73 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.80 1tqs n LEU 73 N -3.96 0.00 -0.24 2.35 4.77 -1.26 -3.86 117.00 114.79 1tqs n LEU 73 Ca 0.05 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 1tqs n LEU 73 Cb 0.47 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1tqs n LEU 73 CO 0.30 -0.00 0.93 0.50 -1.33 0.00 0.00 177.39 177.79 1tqs h LYS 74 N 0.00 1.08 -5.82 3.23 3.64 -1.57 -3.41 116.57 113.71 1tqs h LYS 74 Ca 0.00 -0.26 -0.65 0.00 -1.27 0.00 0.00 60.65 58.46 1tqs h LYS 74 Cb 0.05 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.66 1tqs h LYS 74 CO 0.00 0.97 -0.52 0.71 -2.27 0.00 0.00 179.45 178.34 1tqs s TYR 75 N -5.29 3.47 0.31 1.91 1.51 -1.25 -4.94 117.35 113.07 1tqs s TYR 75 Ca -0.12 0.35 -0.07 0.00 -1.01 0.00 0.00 57.07 56.22 1tqs s TYR 75 Cb 0.14 -1.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1tqs s TYR 75 CO 0.84 0.64 0.54 0.27 -1.11 0.00 0.00 175.55 176.73 1tqs n ASN 76 N 1.37 -1.56 -0.17 2.29 0.23 -0.46 -4.89 115.26 112.06 1tqs n ASN 76 Ca -0.14 -2.44 0.24 0.00 -0.53 0.00 0.00 54.58 51.71 1tqs n ASN 76 Cb 0.53 2.70 0.65 0.00 -2.08 0.00 0.00 39.78 41.58 1tqs n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tqs h ALA 77 N 1.97 2.58 -0.43 -2.53 0.00 -1.95 -0.23 119.26 118.69 1tqs h ALA 77 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1tqs h ALA 77 Cb 1.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1tqs h ALA 77 CO 0.33 -0.84 0.00 0.72 0.00 0.00 0.00 179.25 179.47 1tqs n HIS 78 N -4.37 0.55 -3.16 0.00 8.25 -1.26 -4.66 115.22 110.57 1tqs n HIS 78 Ca 0.17 -0.27 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1tqs n HIS 78 Cb 0.82 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.90 1tqs n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1tqs s HIS 79 N -1.45 -1.02 0.29 4.41 5.04 -0.10 -5.15 115.29 117.30 1tqs s HIS 79 Ca 0.40 -0.50 -0.04 0.00 -1.54 0.00 0.00 55.06 53.38 1tqs s HIS 79 Cb 0.23 -0.01 -0.05 0.00 0.04 0.00 0.00 32.58 32.80 1tqs s HIS 79 CO 0.32 -1.11 0.53 0.15 -2.34 0.00 0.00 174.74 172.29 1tqs s LYS 80 N 1.32 3.59 -0.31 2.88 1.02 -1.22 -1.35 119.74 125.67 1tqs s LYS 80 Ca 0.21 -0.09 -0.24 0.00 0.02 0.00 0.00 55.97 55.88 1tqs s LYS 80 Cb -0.06 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1tqs s LYS 80 CO -0.06 0.22 0.80 -1.17 -0.92 0.00 0.00 175.35 174.22 1tqs s LEU 81 N -3.64 4.08 -0.23 3.17 2.96 -0.32 -4.87 118.68 119.84 1tqs s LEU 81 Ca 0.43 0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 54.85 1tqs s LEU 81 Cb -0.11 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1tqs s LEU 81 CO 0.31 -0.62 0.41 -0.54 -1.32 0.00 0.00 176.35 174.59 1tqs s LYS 82 N 2.98 4.12 -0.15 1.98 -0.14 0.12 -1.31 119.74 127.33 1tqs s LYS 82 Ca 0.33 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 55.12 1tqs s LYS 82 Cb -0.14 -3.58 -0.00 0.00 -1.68 0.00 0.00 37.83 32.42 1tqs s LYS 82 CO 0.13 -0.14 -0.15 0.08 -0.76 0.00 0.00 175.35 174.51 1tqs s VAL 83 N 1.63 2.76 -0.30 3.17 1.01 -0.11 -0.24 120.40 128.31 1tqs s VAL 83 Ca 0.18 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 1tqs s VAL 83 Cb -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1tqs s VAL 83 CO 0.09 0.51 0.06 -0.36 0.00 0.00 0.00 175.10 175.40 1tqs s PHE 84 N 0.73 3.17 -0.28 5.22 0.40 -0.11 -1.39 117.98 125.72 1tqs s PHE 84 Ca -0.06 -1.23 -0.18 0.00 -0.60 0.00 0.00 56.93 54.86 1tqs s PHE 84 Cb -0.15 -2.22 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 1tqs s PHE 84 CO 0.01 -0.65 0.50 0.08 0.70 0.00 0.00 175.22 175.86 1tqs s VAL 85 N 1.44 5.07 -0.39 -0.44 1.01 0.11 -0.80 120.40 126.40 1tqs s VAL 85 Ca 0.01 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1tqs s VAL 85 Cb -0.18 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.47 1tqs s VAL 85 CO 0.01 0.05 0.16 -0.69 0.00 0.00 0.00 175.10 174.63 1tqs s VAL 86 N 2.30 3.05 0.34 2.92 1.01 0.18 -0.72 120.40 129.49 1tqs s VAL 86 Ca 0.20 -2.09 -0.28 0.00 0.00 0.00 0.00 61.98 59.80 1tqs s VAL 86 Cb -0.16 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 1tqs s VAL 86 CO 0.10 -0.65 1.28 -2.84 0.00 0.00 0.00 175.10 172.99 1tqs s PRO 87 N 1.09 4.32 0.21 2.72 0.02 -1.26 -0.72 135.00 141.38 1tqs s PRO 87 Ca 0.08 2.15 -0.16 0.00 0.02 0.00 0.00 61.00 63.08 1tqs s PRO 87 Cb -0.22 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.30 1tqs s PRO 87 CO -0.05 -0.19 0.51 -3.38 -0.33 0.00 0.00 177.00 173.57 1tqs s HIS 88 N -1.17 -0.01 -0.13 6.54 -3.43 -0.59 -1.76 115.29 114.74 1tqs s HIS 88 Ca 0.50 -0.34 -0.04 0.00 -0.80 0.00 0.00 55.06 54.37 1tqs s HIS 88 Cb -0.38 0.35 0.06 0.00 -1.43 0.00 0.00 32.58 31.18 1tqs s HIS 88 CO 0.50 -0.94 0.19 0.45 -2.00 0.00 0.00 174.74 172.95 1tqs s SER 89 N -2.91 0.95 -0.36 7.38 0.15 -1.26 -3.84 113.70 113.81 1tqs s SER 89 Ca 0.12 0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.67 1tqs s SER 89 Cb -0.01 0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 1tqs s SER 89 CO -0.00 -0.27 0.93 -2.28 1.20 0.00 0.00 173.24 172.81 1tqs s HIS 90 N 2.32 3.09 -0.42 3.44 2.46 -0.41 -4.76 115.29 121.00 1tqs s HIS 90 Ca 0.04 0.79 0.00 0.00 0.47 0.00 0.00 55.06 56.37 1tqs s HIS 90 Cb -0.13 -3.64 0.12 0.00 -0.13 0.00 0.00 32.58 28.80 1tqs s HIS 90 CO -0.08 -0.81 0.18 -0.80 -2.47 0.00 0.00 174.74 170.76 1tqs s ASN 91 N 1.86 4.96 -0.04 9.88 0.01 -1.26 -0.44 114.94 129.91 1tqs s ASN 91 Ca 0.38 -2.30 -0.30 0.00 -0.71 0.00 0.00 52.86 49.93 1tqs s ASN 91 Cb -0.12 -1.74 -0.05 0.00 0.41 0.00 0.00 41.25 39.76 1tqs s ASN 91 CO 0.18 -0.42 1.41 -1.81 -1.51 0.00 0.00 177.10 174.94 1tqs s ASP 92 N 1.09 6.85 -1.38 -1.22 1.01 -1.26 -4.88 116.67 116.87 1tqs s ASP 92 Ca 0.11 2.05 -0.13 0.00 0.71 0.00 0.00 52.55 55.29 1tqs s ASP 92 Cb -0.21 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 1tqs s ASP 92 CO -0.05 -0.75 2.40 -2.65 0.21 0.00 0.00 175.17 174.34 1tqs n PRO 93 N 5.81 2.88 0.00 8.23 -0.02 -1.26 -4.60 135.00 146.03 1tqs n PRO 93 Ca 0.14 -2.29 0.00 0.00 -2.02 0.00 0.00 63.50 59.32 1tqs n PRO 93 Cb 0.44 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 1tqs n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tqs n GLY 94 N 3.97 2.12 0.00 -1.23 0.00 -1.26 -4.53 105.19 104.26 1tqs n GLY 94 Ca 0.59 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1tqs n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1tqs n TRP 95 N 2.21 0.00 0.17 1.61 -0.00 -1.26 -4.67 117.44 115.50 1tqs n TRP 95 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.62 1tqs n TRP 95 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.32 1tqs n TRP 95 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 1tqs n ILE 96 N -0.40 0.55 -4.37 5.87 2.08 -1.26 -1.23 119.36 120.59 1tqs n ILE 96 Ca 0.00 -0.51 -0.19 0.00 0.56 0.00 0.00 62.75 62.61 1tqs n ILE 96 Cb 0.00 -0.28 -0.10 0.00 -0.75 0.00 0.00 39.64 38.51 1tqs n ILE 96 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1tqs s GLN 97 N -3.34 1.41 0.92 0.38 -0.21 -1.26 -4.84 119.66 112.72 1tqs s GLN 97 Ca 0.00 -1.67 -0.12 0.00 0.02 0.00 0.00 55.36 53.59 1tqs s GLN 97 Cb 0.10 -1.04 0.14 0.00 1.00 0.00 0.00 33.01 33.21 1tqs s GLN 97 CO 0.79 0.08 1.11 0.95 -2.12 0.00 0.00 175.29 176.10 1tqs s THR 98 N -3.06 2.31 0.16 -0.19 -4.23 -1.26 -4.19 115.64 105.18 1tqs s THR 98 Ca 0.26 0.10 -0.20 0.00 -1.18 0.00 0.00 61.69 60.67 1tqs s THR 98 Cb 0.02 -2.72 0.08 0.00 1.34 0.00 0.00 72.50 71.21 1tqs s THR 98 CO 0.09 -0.13 1.64 0.15 -0.54 0.00 0.00 174.62 175.83 1tqs h PHE 99 N -1.57 -0.48 -0.24 3.99 3.57 -1.90 0.00 116.94 120.32 1tqs h PHE 99 Ca -0.51 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 60.91 1tqs h PHE 99 Cb 1.31 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 1tqs h PHE 99 CO 0.34 -0.27 -0.35 1.49 -2.23 0.00 0.00 178.31 177.29 1tqs h GLU 100 N -0.14 0.51 -0.18 1.11 4.57 -1.96 -0.50 114.58 118.00 1tqs h GLU 100 Ca 0.18 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1tqs h GLU 100 Cb 0.41 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1tqs h GLU 100 CO -0.43 0.80 0.04 0.93 -1.18 0.00 0.00 179.01 179.16 1tqs h GLU 101 N 0.43 0.29 -0.82 1.92 5.08 -1.81 -1.05 114.58 118.62 1tqs h GLU 101 Ca 0.05 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1tqs h GLU 101 Cb 0.82 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1tqs h GLU 101 CO 0.07 0.43 0.39 1.88 -1.00 0.00 0.00 179.01 180.78 1tqs h TYR 102 N 0.09 1.18 -0.48 4.33 0.05 -0.87 -0.42 116.97 120.86 1tqs h TYR 102 Ca 0.06 -0.06 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1tqs h TYR 102 Cb 0.28 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 1tqs h TYR 102 CO 0.01 0.85 0.29 -0.92 -1.05 0.00 0.00 178.16 177.34 1tqs h TYR 103 N 1.17 0.54 -0.15 4.88 3.20 -0.78 0.21 116.97 126.03 1tqs h TYR 103 Ca 0.28 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.99 1tqs h TYR 103 Cb 0.12 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 1tqs h TYR 103 CO 0.01 0.31 -0.64 1.96 -1.64 0.00 0.00 178.16 178.16 1tqs h GLN 104 N 0.57 0.57 0.00 1.82 1.08 -0.94 -0.55 115.11 117.66 1tqs h GLN 104 Ca 0.19 -0.41 -0.22 0.00 -1.45 0.00 0.00 58.65 56.77 1tqs h GLN 104 Cb 0.01 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1tqs h GLN 104 CO -0.08 1.02 -1.40 0.45 -0.95 0.00 0.00 178.83 177.87 1tqs h HIS 105 N 0.41 0.00 0.00 2.96 3.86 -0.96 -3.45 115.15 117.98 1tqs h HIS 105 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1tqs h HIS 105 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1tqs h HIS 105 CO 0.05 0.79 -0.01 -0.25 0.86 0.00 0.00 177.93 179.37 1tqs n ASP 106 N -3.03 0.30 -0.09 2.45 8.00 0.58 -4.87 116.55 119.89 1tqs n ASP 106 Ca -0.10 0.36 -0.05 0.00 0.71 0.00 0.00 54.79 55.71 1tqs n ASP 106 Cb 0.92 0.13 0.15 0.00 -0.02 0.00 0.00 41.12 42.31 1tqs n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1tqs h THR 107 N 0.00 1.25 0.00 -3.53 2.02 -1.08 -1.06 112.91 110.51 1tqs h THR 107 Ca 0.00 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 1tqs h THR 107 Cb 0.01 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1tqs h THR 107 CO 0.00 0.38 -0.25 0.07 0.37 0.00 0.00 175.52 176.08 1tqs h LYS 108 N 0.70 0.00 -0.09 6.66 2.10 -1.32 -0.76 116.57 123.86 1tqs h LYS 108 Ca 0.13 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.57 1tqs h LYS 108 Cb 0.53 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1tqs h LYS 108 CO 0.03 0.25 -0.74 0.45 -2.00 0.00 0.00 179.45 177.44 1tqs h HIS 109 N 0.00 0.92 -0.28 0.07 3.86 -1.57 -1.21 115.15 116.95 1tqs h HIS 109 Ca -0.00 -0.43 0.02 0.00 -1.16 0.00 0.00 60.37 58.79 1tqs h HIS 109 Cb 0.45 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1tqs h HIS 109 CO 0.00 1.25 0.13 0.82 0.86 0.00 0.00 177.93 180.99 1tqs h ILE 110 N 0.32 0.98 -0.30 2.45 2.04 -0.77 0.22 117.51 122.45 1tqs h ILE 110 Ca -0.07 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.56 1tqs h ILE 110 Cb 1.39 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1tqs h ILE 110 CO 0.15 0.05 -0.38 -0.07 0.00 0.00 0.00 178.15 177.90 1tqs h LEU 111 N 0.27 0.75 -0.63 1.44 3.38 -1.18 0.17 115.31 119.52 1tqs h LEU 111 Ca 0.12 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1tqs h LEU 111 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1tqs h LEU 111 CO -0.09 1.05 0.19 -1.28 0.09 0.00 0.00 178.44 178.40 1tqs h SER 112 N 0.59 0.93 0.98 -0.43 0.87 -1.07 -0.90 113.55 114.51 1tqs h SER 112 Ca 0.05 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.25 1tqs h SER 112 Cb 0.91 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1tqs h SER 112 CO 0.08 0.90 -0.70 0.78 -0.53 0.00 0.00 176.83 177.36 1tqs h ASN 113 N 0.91 0.00 -0.52 6.23 2.35 -0.84 -2.21 115.58 121.50 1tqs h ASN 113 Ca 0.20 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 1tqs h ASN 113 Cb 0.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1tqs h ASN 113 CO -0.00 0.70 0.01 0.00 -1.65 0.00 0.00 177.43 176.48 1tqs h ALA 114 N 1.30 0.70 -0.44 -0.83 0.00 -0.46 0.15 119.26 119.69 1tqs h ALA 114 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1tqs h ALA 114 Cb 1.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1tqs h ALA 114 CO 0.09 0.51 0.28 1.25 0.00 0.00 0.00 179.25 181.38 1tqs h LEU 115 N 0.79 0.51 -0.16 0.00 5.85 -0.99 -0.57 115.31 120.74 1tqs h LEU 115 Ca 0.15 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1tqs h LEU 115 Cb 0.51 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1tqs h LEU 115 CO 0.02 0.38 0.02 -0.09 -0.34 0.00 0.00 178.44 178.43 1tqs h ARG 116 N 0.59 0.27 -0.25 1.25 2.43 -1.21 -0.73 114.38 116.73 1tqs h ARG 116 Ca 0.16 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1tqs h ARG 116 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1tqs h ARG 116 CO -0.03 0.47 -0.01 1.25 -1.51 0.00 0.00 179.97 180.14 1tqs h HIS 117 N 0.04 0.49 -0.58 2.20 2.76 -0.60 -0.85 115.15 118.61 1tqs h HIS 117 Ca 0.05 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1tqs h HIS 117 Cb 0.33 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 1tqs h HIS 117 CO 0.03 0.62 0.22 -0.07 -1.30 0.00 0.00 177.93 177.42 1tqs h LEU 118 N 0.22 0.81 -0.68 0.26 3.38 -1.15 -0.84 115.31 117.31 1tqs h LEU 118 Ca 0.07 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1tqs h LEU 118 Cb 0.43 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1tqs h LEU 118 CO 0.01 0.77 0.37 -0.74 0.09 0.00 0.00 178.44 178.94 1tqs h HIS 119 N 0.80 0.67 0.00 1.13 2.76 -0.94 -3.03 115.15 116.54 1tqs h HIS 119 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1tqs h HIS 119 Cb 0.22 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1tqs h HIS 119 CO 0.01 0.30 -0.20 -0.44 -1.30 0.00 0.00 177.93 176.30 1tqs h ASP 120 N 0.67 0.00 -3.53 3.26 3.32 -0.80 -3.40 116.42 115.95 1tqs h ASP 120 Ca 0.31 -0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.71 1tqs h ASP 120 Cb 0.23 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.38 1tqs h ASP 120 CO -0.20 0.02 -0.72 0.20 -1.72 0.00 0.00 179.24 176.82 1tqs s ASN 121 N -5.20 3.74 0.62 6.45 -0.87 -0.35 -5.01 114.94 114.32 1tqs s ASN 121 Ca 0.07 -2.85 0.30 0.00 -1.57 0.00 0.00 52.86 48.82 1tqs s ASN 121 Cb 0.09 -1.16 1.65 0.00 -0.02 0.00 0.00 41.25 41.81 1tqs s ASN 121 CO 0.66 -0.24 2.00 -0.65 -2.57 0.00 0.00 177.10 176.31 1tqs h PRO 122 N 6.48 0.00 0.00 -0.60 0.11 -1.79 -1.22 132.00 134.98 1tqs h PRO 122 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1tqs h PRO 122 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1tqs h PRO 122 CO 0.53 0.00 -0.49 -0.85 -0.21 0.00 0.00 178.00 176.99 1tqs n GLU 123 N -3.45 0.24 -2.62 1.05 0.00 -1.26 -4.90 120.64 109.70 1tqs n GLU 123 Ca 0.02 0.09 -0.34 0.00 0.00 0.00 0.00 57.16 56.93 1tqs n GLU 123 Cb 0.43 -1.67 -0.05 0.00 0.00 0.00 0.00 31.44 30.15 1tqs n GLU 123 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 1tqs s MET 124 N -3.13 4.00 0.23 3.44 1.75 -0.46 -4.75 119.30 120.38 1tqs s MET 124 Ca 0.08 1.33 0.04 0.00 -1.25 0.00 0.00 55.69 55.88 1tqs s MET 124 Cb 0.14 -2.22 -0.05 0.00 2.84 0.00 0.00 34.83 35.54 1tqs s MET 124 CO 0.69 -0.25 -0.01 0.15 -0.65 0.00 0.00 175.02 174.95 1tqs s LYS 125 N -3.04 1.32 -0.24 4.11 -0.14 -1.26 -4.78 119.74 115.71 1tqs s LYS 125 Ca 0.64 -1.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.32 1tqs s LYS 125 Cb -0.16 -0.62 0.10 0.00 -1.68 0.00 0.00 37.83 35.47 1tqs s LYS 125 CO 0.20 -0.08 0.88 0.12 -0.76 0.00 0.00 175.35 175.71 1tqs s PHE 126 N -3.41 -0.59 0.13 3.18 5.36 -0.31 -4.37 117.98 117.96 1tqs s PHE 126 Ca 0.28 1.36 0.08 0.00 -0.96 0.00 0.00 56.93 57.69 1tqs s PHE 126 Cb 0.05 0.35 -0.04 0.00 -0.34 0.00 0.00 43.02 43.04 1tqs s PHE 126 CO 0.08 -0.33 -0.14 0.96 -1.46 0.00 0.00 175.22 174.33 1tqs s ILE 127 N -0.03 3.10 -0.03 3.12 -4.36 -0.72 -1.31 121.20 120.97 1tqs s ILE 127 Ca -0.00 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 1tqs s ILE 127 Cb -0.04 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.23 1tqs s ILE 127 CO -0.01 0.06 -0.03 0.86 0.24 0.00 0.00 174.94 176.06 1tqs s TRP 128 N -1.28 0.52 -0.16 1.37 -0.11 -0.29 -4.40 118.94 114.59 1tqs s TRP 128 Ca 0.21 -0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.42 1tqs s TRP 128 Cb -0.10 -0.47 -0.10 0.00 -1.50 0.00 0.00 33.47 31.29 1tqs s TRP 128 CO 0.12 -0.12 -0.15 0.00 -4.62 0.00 0.00 176.95 172.19 1tqs n ALA 129 N 3.75 1.68 -2.89 5.86 0.00 -1.26 -0.92 120.51 126.72 1tqs n ALA 129 Ca -0.23 -0.68 -0.44 0.00 0.00 0.00 0.00 53.44 52.09 1tqs n ALA 129 Cb 0.53 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 20.08 1tqs n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tqs s GLU 130 N -2.32 3.12 0.42 0.00 8.01 -1.26 -4.01 118.70 122.66 1tqs s GLU 130 Ca -0.22 -0.92 0.23 0.00 0.01 0.00 0.00 54.97 54.07 1tqs s GLU 130 Cb 0.06 -4.20 0.75 0.00 -4.31 0.00 0.00 34.13 26.43 1tqs s GLU 130 CO 0.36 -1.61 1.75 0.82 0.01 0.00 0.00 175.26 176.59 1tqs h ILE 131 N 5.95 0.55 -0.54 -1.63 1.08 -1.15 -2.82 117.51 118.95 1tqs h ILE 131 Ca -0.28 -1.28 0.10 0.00 -0.39 0.00 0.00 64.86 63.00 1tqs h ILE 131 Cb 1.08 1.89 -0.08 0.00 -3.07 0.00 0.00 36.82 36.64 1tqs h ILE 131 CO 1.12 0.24 0.10 0.77 -0.69 0.00 0.00 178.15 179.69 1tqs h SER 132 N 0.00 -0.01 -0.33 1.72 4.64 -1.42 0.12 113.55 118.27 1tqs h SER 132 Ca -0.00 0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.29 1tqs h SER 132 Cb 0.87 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1tqs h SER 132 CO 0.03 0.01 -0.28 1.88 -0.87 0.00 0.00 176.83 177.60 1tqs h TYR 133 N 0.24 0.92 -0.66 4.77 0.99 -1.77 -2.35 116.97 119.11 1tqs h TYR 133 Ca 0.28 -0.27 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1tqs h TYR 133 Cb 0.39 -0.20 -0.03 0.00 1.00 0.00 0.00 36.73 37.89 1tqs h TYR 133 CO -0.24 1.03 0.23 0.35 -0.00 0.00 0.00 178.16 179.53 1tqs h PHE 134 N 0.54 1.03 -0.55 4.88 3.57 -1.14 -1.39 116.94 123.88 1tqs h PHE 134 Ca 0.06 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 1tqs h PHE 134 Cb 0.86 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1tqs h PHE 134 CO 0.07 0.82 -0.11 0.00 -2.23 0.00 0.00 178.31 176.86 1tqs h ALA 135 N 1.10 0.76 -0.88 2.41 0.00 -0.81 0.13 119.26 121.96 1tqs h ALA 135 Ca 0.22 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1tqs h ALA 135 Cb 0.25 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1tqs h ALA 135 CO -0.01 0.68 0.58 -0.09 0.00 0.00 0.00 179.25 180.41 1tqs h ARG 136 N 0.93 1.11 0.03 0.00 9.65 -1.04 -2.24 114.38 122.82 1tqs h ARG 136 Ca 0.14 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1tqs h ARG 136 Cb 0.68 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1tqs h ARG 136 CO 0.05 0.73 -0.01 0.35 2.80 0.00 0.00 179.97 183.89 1tqs h PHE 137 N 1.14 -0.04 -0.94 2.20 3.57 -0.92 -3.33 116.94 118.62 1tqs h PHE 137 Ca 0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1tqs h PHE 137 Cb -0.05 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1tqs h PHE 137 CO -0.00 0.65 0.60 -0.92 -2.23 0.00 0.00 178.31 176.41 1tqs h TYR 138 N -0.82 1.22 0.00 0.41 3.20 -0.68 -1.33 116.97 118.96 1tqs h TYR 138 Ca -0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1tqs h TYR 138 Cb 0.71 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1tqs h TYR 138 CO 0.17 0.79 -0.10 0.45 -1.64 0.00 0.00 178.16 177.83 1tqs h HIS 139 N 1.29 0.00 -0.00 -3.82 3.86 -1.56 -2.17 115.15 112.75 1tqs h HIS 139 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1tqs h HIS 139 Cb -0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1tqs h HIS 139 CO 0.00 0.10 -0.29 -0.25 0.86 0.00 0.00 177.93 178.35 1tqs n ASP 140 N -3.40 0.74 -4.77 2.45 9.92 -0.53 -4.92 116.55 116.05 1tqs n ASP 140 Ca -0.01 -0.60 -0.39 0.00 -0.53 0.00 0.00 54.79 53.27 1tqs n ASP 140 Cb 0.28 0.11 -0.05 0.00 -0.64 0.00 0.00 41.12 40.82 1tqs n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1tqs s LEU 141 N -2.66 4.43 0.82 0.64 1.43 -0.82 -5.04 118.68 117.48 1tqs s LEU 141 Ca 0.21 2.09 -0.10 0.00 -1.03 0.00 0.00 54.13 55.30 1tqs s LEU 141 Cb 0.19 -3.83 0.09 0.00 0.03 0.00 0.00 46.19 42.67 1tqs s LEU 141 CO 0.57 -0.18 1.11 -0.83 0.23 0.00 0.00 176.35 177.25 1tqs s GLY 142 N -1.22 1.68 0.29 -3.19 0.00 -1.26 -4.75 107.32 98.87 1tqs s GLY 142 Ca 0.48 0.35 -0.00 0.00 0.00 0.00 0.00 44.72 45.55 1tqs s GLY 142 CO 0.33 0.73 1.91 -2.09 0.00 0.00 0.00 173.10 173.98 1tqs h GLU 143 N -1.38 1.03 -0.45 2.90 4.57 -1.97 0.05 114.58 119.33 1tqs h GLU 143 Ca -0.44 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1tqs h GLU 143 Cb 1.24 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1tqs h GLU 143 CO 0.48 0.68 0.27 -0.97 -1.18 0.00 0.00 179.01 178.30 1tqs h ASN 144 N 1.06 0.54 0.03 1.04 -0.73 -2.00 -1.47 115.58 114.06 1tqs h ASN 144 Ca 0.39 -0.06 -0.15 0.00 1.87 0.00 0.00 56.30 58.36 1tqs h ASN 144 Cb 0.18 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 1tqs h ASN 144 CO -0.15 0.44 -0.50 0.11 -0.37 0.00 0.00 177.43 176.96 1tqs h LYS 145 N 0.60 0.53 -0.75 6.67 1.79 -1.79 -1.85 116.57 121.76 1tqs h LYS 145 Ca 0.16 -0.31 0.06 0.00 -2.18 0.00 0.00 60.65 58.38 1tqs h LYS 145 Cb -0.00 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.62 1tqs h LYS 145 CO -0.03 0.91 0.45 0.87 -1.08 0.00 0.00 179.45 180.56 1tqs h LYS 146 N 0.42 0.80 -0.58 3.15 1.57 -0.65 0.68 116.57 121.96 1tqs h LYS 146 Ca 0.02 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1tqs h LYS 146 Cb 1.02 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1tqs h LYS 146 CO 0.09 0.53 0.01 -0.07 -0.57 0.00 0.00 179.45 179.44 1tqs h LEU 147 N 0.83 1.00 -0.82 2.94 3.38 -1.01 -0.42 115.31 121.20 1tqs h LEU 147 Ca 0.33 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1tqs h LEU 147 Cb 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1tqs h LEU 147 CO -0.17 1.06 0.49 1.56 0.09 0.00 0.00 178.44 181.47 1tqs h GLN 148 N 0.91 1.12 -0.33 1.13 4.20 -0.80 -1.82 115.11 119.52 1tqs h GLN 148 Ca 0.17 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 1tqs h GLN 148 Cb 0.54 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1tqs h GLN 148 CO 0.03 0.79 0.10 1.98 -0.67 0.00 0.00 178.83 181.07 1tqs h MET 149 N 1.13 0.52 -0.47 1.46 4.05 -0.55 -2.16 114.93 118.91 1tqs h MET 149 Ca 0.29 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1tqs h MET 149 Cb -0.03 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1tqs h MET 149 CO -0.05 0.55 0.30 0.87 0.23 0.00 0.00 176.91 178.80 1tqs h LYS 150 N 0.38 0.63 -0.38 0.39 1.57 -0.85 -2.32 116.57 116.00 1tqs h LYS 150 Ca 0.11 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1tqs h LYS 150 Cb 0.25 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1tqs h LYS 150 CO -0.00 0.43 -0.32 0.66 -0.57 0.00 0.00 179.45 179.66 1tqs h SER 151 N 0.65 0.94 1.18 0.86 4.64 -0.90 0.15 113.55 121.06 1tqs h SER 151 Ca 0.17 -0.45 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1tqs h SER 151 Cb -0.05 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.78 1tqs h SER 151 CO -0.03 1.19 -0.02 0.16 -0.87 0.00 0.00 176.83 177.25 1tqs h ILE 152 N 0.70 0.05 0.08 0.95 3.07 -1.12 -1.10 117.51 120.15 1tqs h ILE 152 Ca 0.07 -0.65 -0.12 0.00 1.55 0.00 0.00 64.86 65.71 1tqs h ILE 152 Cb 0.90 1.62 0.01 0.00 -0.27 0.00 0.00 36.82 39.08 1tqs h ILE 152 CO 0.08 0.02 -0.54 0.58 -1.05 0.00 0.00 178.15 177.24 1tqs h VAL 153 N 0.00 1.59 -0.46 0.16 2.07 -1.21 -1.10 116.25 117.29 1tqs h VAL 153 Ca -0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1tqs h VAL 153 Cb 0.61 3.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.60 1tqs h VAL 153 CO 0.00 0.67 0.24 0.50 0.02 0.00 0.00 177.57 179.00 1tqs h LYS 154 N -0.62 0.63 -0.25 1.57 3.64 -0.56 -1.87 116.57 119.10 1tqs h LYS 154 Ca -0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1tqs h LYS 154 Cb 1.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1tqs h LYS 154 CO 0.08 0.48 0.00 0.09 -2.27 0.00 0.00 179.45 177.83 1tqs n ASN 155 N -4.41 1.88 0.00 4.20 3.02 -0.43 -4.95 115.26 114.58 1tqs n ASN 155 Ca 0.04 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 1tqs n ASN 155 Cb 0.11 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1tqs n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tqs n GLY 156 N 1.14 0.71 0.10 7.41 0.00 -0.71 -4.96 105.19 108.89 1tqs n GLY 156 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1tqs n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1tqs h GLN 157 N 2.48 0.21 -4.99 1.61 4.20 -1.47 -3.43 115.11 113.72 1tqs h GLN 157 Ca 0.00 -0.28 -0.64 0.00 0.06 0.00 0.00 58.65 57.79 1tqs h GLN 157 Cb 0.00 0.09 -0.19 0.00 0.30 0.00 0.00 27.48 27.68 1tqs h GLN 157 CO 0.00 1.05 -0.57 -1.17 -0.67 0.00 0.00 178.83 177.47 1tqs s LEU 158 N -8.25 3.73 -0.07 1.46 0.20 -0.71 -1.17 118.68 113.87 1tqs s LEU 158 Ca -0.15 -0.08 0.04 0.00 0.69 0.00 0.00 54.13 54.63 1tqs s LEU 158 Cb 0.01 -2.01 0.00 0.00 -0.43 0.00 0.00 46.19 43.76 1tqs s LEU 158 CO 0.77 -0.00 -0.19 -0.70 -0.29 0.00 0.00 176.35 175.93 1tqs s GLU 159 N 1.45 2.30 0.09 1.98 2.12 -0.42 -4.30 118.70 121.91 1tqs s GLU 159 Ca 0.06 -0.69 -0.27 0.00 0.36 0.00 0.00 54.97 54.43 1tqs s GLU 159 Cb -0.15 -1.85 -0.06 0.00 0.26 0.00 0.00 34.13 32.33 1tqs s GLU 159 CO 0.06 0.18 0.84 -0.06 -0.54 0.00 0.00 175.26 175.74 1tqs s PHE 160 N 0.28 3.79 -0.09 5.30 0.40 -1.26 -1.14 117.98 125.26 1tqs s PHE 160 Ca -0.12 1.62 0.03 0.00 -0.60 0.00 0.00 56.93 57.86 1tqs s PHE 160 Cb -0.15 -2.90 -0.01 0.00 0.51 0.00 0.00 43.02 40.47 1tqs s PHE 160 CO 0.05 0.29 -0.20 0.14 0.70 0.00 0.00 175.22 176.20 1tqs s VAL 161 N -0.21 2.46 0.00 -0.44 -7.23 -0.10 -4.68 120.40 110.20 1tqs s VAL 161 Ca 0.41 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1tqs s VAL 161 Cb -0.22 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1tqs s VAL 161 CO 0.26 0.56 0.00 0.41 -0.31 0.00 0.00 175.10 176.02 1tqs n THR 162 N 3.22 0.00 -0.83 5.32 -1.04 0.32 -4.24 114.28 117.03 1tqs n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1tqs n THR 162 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1tqs n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1tqs n GLY 163 N 0.00 0.51 3.87 3.41 0.00 -1.26 -4.65 105.19 107.07 1tqs n GLY 163 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1tqs n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tqs s GLY 164 N -2.64 1.63 0.35 -0.02 0.00 -1.26 -1.93 107.32 103.45 1tqs s GLY 164 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.50 1tqs s GLY 164 CO 0.00 0.07 1.89 -0.25 0.00 0.00 0.00 173.10 174.81 1tqs h TRP 165 N -0.63 0.85 -4.71 1.90 -0.00 -1.50 -1.39 115.95 110.47 1tqs h TRP 165 Ca -0.45 0.02 -0.47 0.00 -0.00 0.00 0.00 58.89 57.99 1tqs h TRP 165 Cb 1.24 -0.27 -0.12 0.00 -0.00 0.00 0.00 29.16 30.01 1tqs h TRP 165 CO 0.53 0.36 -0.44 1.33 -0.00 0.00 0.00 178.44 180.22 1tqs n VAL 166 N -4.54 0.00 -3.47 2.65 0.24 -1.26 -1.34 118.33 110.61 1tqs n VAL 166 Ca 0.15 -2.26 -0.43 0.00 -2.04 0.00 0.00 64.34 59.76 1tqs n VAL 166 Cb 0.38 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.71 1tqs n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1tqs s MET 167 N -3.33 2.74 0.55 7.34 -2.45 -1.26 -4.88 119.30 118.02 1tqs s MET 167 Ca 0.32 -1.86 -0.18 0.00 -1.25 0.00 0.00 55.69 52.72 1tqs s MET 167 Cb 0.02 -4.08 -0.05 0.00 1.25 0.00 0.00 34.83 31.96 1tqs s MET 167 CO 0.22 -1.25 1.08 -1.25 1.05 0.00 0.00 175.02 174.88 1tqs s PRO 168 N 1.25 3.40 0.58 4.11 0.04 -1.26 -3.17 135.00 139.94 1tqs s PRO 168 Ca 0.07 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.33 1tqs s PRO 168 Cb -0.26 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1tqs s PRO 168 CO -0.00 -0.77 0.87 -3.47 0.04 0.00 0.00 177.00 173.66 1tqs n ASP 169 N -1.53 0.42 -0.16 6.66 2.03 0.13 -4.65 116.55 119.46 1tqs n ASP 169 Ca 0.10 0.81 0.03 0.00 0.52 0.00 0.00 54.79 56.25 1tqs n ASP 169 Cb 0.52 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1tqs n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1tqs n GLU 170 N -0.68 1.87 -0.11 -0.67 1.02 -1.26 -4.44 120.64 116.37 1tqs n GLU 170 Ca 0.13 -0.55 -0.24 0.00 -0.02 0.00 0.00 57.16 56.48 1tqs n GLU 170 Cb 0.46 -0.99 -0.11 0.00 -0.02 0.00 0.00 31.44 30.79 1tqs n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tqs n ALA 171 N -0.21 0.99 0.16 0.62 0.00 -1.26 -4.56 120.51 116.24 1tqs n ALA 171 Ca 0.03 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 52.82 1tqs n ALA 171 Cb 0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 1tqs n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tqs n ASN 172 N -4.20 0.36 -4.77 0.00 3.02 -1.26 -4.56 115.26 103.86 1tqs n ASN 172 Ca -0.41 -0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.73 1tqs n ASN 172 Cb 0.81 1.37 -0.02 0.00 -0.61 0.00 0.00 39.78 41.33 1tqs n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1tqs s SER 173 N -4.57 6.82 0.26 6.41 1.04 -1.26 -4.77 113.70 117.63 1tqs s SER 173 Ca -0.04 2.61 -0.27 0.00 0.48 0.00 0.00 55.95 58.73 1tqs s SER 173 Cb 0.13 -2.64 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 1tqs s SER 173 CO 0.86 -0.49 0.90 -2.28 0.98 0.00 0.00 173.24 173.21 1tqs s HIS 174 N -1.16 3.83 0.40 5.02 2.46 -1.26 -4.22 115.29 120.36 1tqs s HIS 174 Ca 0.49 1.79 0.13 0.00 0.47 0.00 0.00 55.06 57.93 1tqs s HIS 174 Cb -0.38 -2.90 0.95 0.00 -0.13 0.00 0.00 32.58 30.11 1tqs s HIS 174 CO 0.50 0.36 1.90 0.11 -2.47 0.00 0.00 174.74 175.14 1tqs h TRP 175 N 3.71 0.63 -0.60 3.88 5.08 -1.22 0.28 115.95 127.71 1tqs h TRP 175 Ca -0.46 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.51 1tqs h TRP 175 Cb 1.20 -0.20 -0.03 0.00 -3.00 0.00 0.00 29.16 27.13 1tqs h TRP 175 CO 0.62 0.24 0.30 0.00 -1.28 0.00 0.00 178.44 178.32 1tqs h ARG 176 N 0.54 0.83 0.00 0.12 3.08 -1.92 -0.86 114.38 116.17 1tqs h ARG 176 Ca 0.40 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 60.18 1tqs h ARG 176 Cb 0.77 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1tqs h ARG 176 CO -0.15 0.63 -0.82 -0.91 -1.07 0.00 0.00 179.97 177.65 1tqs h ASN 177 N 0.84 0.00 -0.52 7.04 2.35 -1.37 -0.72 115.58 123.20 1tqs h ASN 177 Ca 0.21 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1tqs h ASN 177 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1tqs h ASN 177 CO -0.03 0.78 0.20 0.58 -1.65 0.00 0.00 177.43 177.31 1tqs h VAL 178 N 0.00 1.22 -0.48 2.81 2.07 -0.90 -1.12 116.25 119.84 1tqs h VAL 178 Ca -0.02 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1tqs h VAL 178 Cb 1.61 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1tqs h VAL 178 CO 0.10 0.26 -0.18 0.25 0.02 0.00 0.00 177.57 178.02 1tqs h LEU 179 N 0.71 0.97 -0.27 2.57 5.85 -1.11 -1.90 115.31 122.13 1tqs h LEU 179 Ca 0.17 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1tqs h LEU 179 Cb 0.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1tqs h LEU 179 CO -0.01 1.13 0.13 0.25 -0.34 0.00 0.00 178.44 179.60 1tqs h LEU 180 N 0.84 0.20 -0.61 2.25 5.85 -0.85 0.16 115.31 123.14 1tqs h LEU 180 Ca 0.12 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.70 1tqs h LEU 180 Cb 0.74 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1tqs h LEU 180 CO 0.06 0.15 -0.57 0.06 -0.34 0.00 0.00 178.44 177.80 1tqs h GLN 181 N 0.28 0.38 -0.42 1.25 -0.00 -1.12 -0.15 115.11 115.33 1tqs h GLN 181 Ca 0.11 -0.24 -0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1tqs h GLN 181 Cb 0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.53 1tqs h GLN 181 CO -0.08 0.84 0.25 1.25 -0.00 0.00 0.00 178.83 181.09 1tqs h LEU 182 N 0.29 0.51 -0.72 0.06 5.85 -1.04 -1.12 115.31 119.15 1tqs h LEU 182 Ca 0.00 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1tqs h LEU 182 Cb 1.08 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1tqs h LEU 182 CO 0.10 0.43 -0.09 0.74 -0.34 0.00 0.00 178.44 179.27 1tqs h THR 183 N 0.55 1.26 -0.32 1.05 2.02 -0.61 -0.23 112.91 116.64 1tqs h THR 183 Ca 0.15 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 1tqs h THR 183 Cb 0.02 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1tqs h THR 183 CO -0.03 0.42 0.14 -0.08 0.37 0.00 0.00 175.52 176.34 1tqs h GLU 184 N 0.80 0.47 -0.29 6.66 4.57 -0.79 0.81 114.58 126.81 1tqs h GLU 184 Ca 0.13 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1tqs h GLU 184 Cb 0.61 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1tqs h GLU 184 CO 0.04 0.45 -0.26 0.78 -1.18 0.00 0.00 179.01 178.84 1tqs h GLY 185 N 0.37 0.74 1.64 1.92 0.00 -1.26 -2.81 103.07 103.68 1tqs h GLY 185 Ca 0.11 -0.75 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 1tqs h GLY 185 CO -0.01 0.68 -0.59 1.46 0.00 0.00 0.00 176.54 178.07 1tqs h GLN 186 N 0.42 0.37 -0.47 4.80 4.20 -0.34 -0.69 115.11 123.39 1tqs h GLN 186 Ca 0.05 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1tqs h GLN 186 Cb 0.83 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1tqs h GLN 186 CO 0.07 0.85 0.23 1.15 -0.67 0.00 0.00 178.83 180.46 1tqs h THR 187 N 0.28 1.18 -0.30 -0.54 2.02 -0.88 -0.20 112.91 114.47 1tqs h THR 187 Ca -0.00 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.69 1tqs h THR 187 Cb 1.12 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1tqs h THR 187 CO 0.10 0.20 0.14 -0.25 0.37 0.00 0.00 175.52 176.08 1tqs h TRP 188 N 0.62 0.25 -0.83 3.16 7.01 -1.27 -1.73 115.95 123.17 1tqs h TRP 188 Ca 0.16 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1tqs h TRP 188 Cb 0.11 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.06 1tqs h TRP 188 CO -0.01 0.14 0.46 -0.07 -2.79 0.00 0.00 178.44 176.17 1tqs h LEU 189 N 0.29 1.03 -0.46 0.65 3.38 -0.86 -0.51 115.31 118.84 1tqs h LEU 189 Ca 0.12 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1tqs h LEU 189 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1tqs h LEU 189 CO -0.10 0.83 0.04 0.50 0.09 0.00 0.00 178.44 179.80 1tqs h LYS 190 N 1.16 0.79 -0.25 1.13 3.64 -0.85 0.53 116.57 122.70 1tqs h LYS 190 Ca 0.29 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1tqs h LYS 190 Cb 0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1tqs h LYS 190 CO -0.05 0.83 -0.06 0.37 -2.27 0.00 0.00 179.45 178.26 1tqs h GLN 191 N 0.64 0.49 0.00 1.90 4.15 -0.85 -2.79 115.11 118.65 1tqs h GLN 191 Ca 0.13 -0.19 -0.32 0.00 0.77 0.00 0.00 58.65 59.04 1tqs h GLN 191 Cb 0.45 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 1tqs h GLN 191 CO 0.02 0.71 -2.31 1.19 -1.93 0.00 0.00 178.83 176.51 1tqs n PHE 192 N -4.55 0.05 0.42 3.99 3.01 -0.24 -4.54 117.46 115.60 1tqs n PHE 192 Ca -0.04 0.02 0.04 0.00 1.01 0.00 0.00 57.45 58.48 1tqs n PHE 192 Cb 0.30 -0.95 -0.03 0.00 -0.01 0.00 0.00 39.48 38.79 1tqs n PHE 192 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1tqs n MET 193 N -2.71 3.37 -3.82 -1.08 2.81 0.04 -4.99 117.12 110.73 1tqs n MET 193 Ca -0.29 -0.21 -0.27 0.00 -1.81 0.00 0.00 57.70 55.12 1tqs n MET 193 Cb 1.09 -0.97 0.03 0.00 -0.71 0.00 0.00 33.22 32.66 1tqs n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1tqs n ASN 194 N -0.86 -3.73 -3.93 7.83 5.15 -0.38 -4.87 115.26 114.46 1tqs n ASN 194 Ca 0.02 -0.77 -0.10 0.00 -0.60 0.00 0.00 54.58 53.13 1tqs n ASN 194 Cb 0.16 -4.03 -0.10 0.00 -0.53 0.00 0.00 39.78 35.28 1tqs n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1tqs s VAL 195 N -3.42 0.12 -0.22 3.44 -7.23 -1.20 -4.99 120.40 106.90 1tqs s VAL 195 Ca 0.44 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1tqs s VAL 195 Cb -0.22 -0.68 0.07 0.00 0.56 0.00 0.00 36.38 36.11 1tqs s VAL 195 CO 0.82 -0.55 0.05 -0.89 -0.31 0.00 0.00 175.10 174.22 1tqs s THR 196 N -2.14 0.60 0.50 5.32 2.01 -1.26 -3.44 115.64 117.23 1tqs s THR 196 Ca -0.09 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 60.92 1tqs s THR 196 Cb -0.04 -1.18 -0.07 0.00 0.01 0.00 0.00 72.50 71.22 1tqs s THR 196 CO -0.03 -0.32 1.38 -2.65 -0.69 0.00 0.00 174.62 172.31 1tqs n PRO 197 N 5.01 1.94 -0.00 4.92 -0.02 -1.26 -4.92 135.00 140.66 1tqs n PRO 197 Ca -0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1tqs n PRO 197 Cb 0.46 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1tqs n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1tqs n THR 198 N -0.62 0.28 -5.13 3.45 -2.24 -1.26 -4.76 114.28 104.00 1tqs n THR 198 Ca 0.08 -0.64 -0.30 0.00 -2.27 0.00 0.00 64.05 60.92 1tqs n THR 198 Cb 0.43 0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 69.36 1tqs n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tqs s ALA 199 N -0.32 1.96 0.02 6.98 0.00 -1.26 -0.71 121.76 128.44 1tqs s ALA 199 Ca 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1tqs s ALA 199 Cb 0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1tqs s ALA 199 CO 0.01 0.39 0.00 0.45 0.00 0.00 0.00 175.76 176.61 1tqs s SER 200 N -0.16 5.12 -0.21 0.00 0.15 -0.47 -0.52 113.70 117.62 1tqs s SER 200 Ca -0.02 -0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 1tqs s SER 200 Cb -0.13 -1.31 0.05 0.00 -1.71 0.00 0.00 66.02 62.93 1tqs s SER 200 CO 0.03 0.25 -0.04 0.86 1.20 0.00 0.00 173.24 175.54 1tqs s TRP 201 N -1.15 1.95 -0.48 3.44 -0.11 -1.26 -0.82 118.94 120.50 1tqs s TRP 201 Ca 0.21 -1.40 0.03 0.00 1.22 0.00 0.00 56.10 56.17 1tqs s TRP 201 Cb -0.12 -1.41 0.16 0.00 -1.50 0.00 0.00 33.47 30.60 1tqs s TRP 201 CO 0.13 -0.70 0.33 0.00 -4.62 0.00 0.00 176.95 172.09 1tqs s ALA 202 N 1.55 2.13 -0.86 5.86 0.00 -0.50 -4.84 121.76 125.11 1tqs s ALA 202 Ca -0.03 -2.75 0.24 0.00 0.00 0.00 0.00 51.96 49.42 1tqs s ALA 202 Cb -0.17 -1.82 0.31 0.00 0.00 0.00 0.00 23.12 21.44 1tqs s ALA 202 CO -0.07 -2.04 1.27 0.44 0.00 0.00 0.00 175.76 175.35 1tqs n ILE 203 N 3.00 0.09 0.00 0.00 -5.35 -1.26 -3.00 119.36 112.84 1tqs n ILE 203 Ca 0.19 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1tqs n ILE 203 Cb 0.40 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 1tqs n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1tqs n ASP 204 N -1.70 1.95 -4.67 7.28 4.64 -1.26 -4.42 116.55 118.37 1tqs n ASP 204 Ca 0.04 -0.21 -0.37 0.00 -1.38 0.00 0.00 54.79 52.87 1tqs n ASP 204 Cb 0.37 0.80 0.06 0.00 -1.04 0.00 0.00 41.12 41.32 1tqs n ASP 204 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1tqs n PRO 205 N -1.00 0.99 -2.99 -0.67 -0.02 -1.26 -4.83 135.00 125.22 1tqs n PRO 205 Ca 0.00 0.39 -0.44 0.00 -2.02 0.00 0.00 63.50 61.43 1tqs n PRO 205 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1tqs n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1tqs n PHE 206 N -1.86 4.50 0.00 6.00 3.72 -1.26 -4.38 117.46 124.18 1tqs n PHE 206 Ca 0.15 -3.37 0.00 0.00 -0.05 0.00 0.00 57.45 54.18 1tqs n PHE 206 Cb 0.48 -1.91 0.00 0.00 -0.94 0.00 0.00 39.48 37.11 1tqs n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tqs n GLY 207 N 3.18 2.10 3.05 1.37 0.00 -1.07 -4.58 105.19 109.23 1tqs n GLY 207 Ca 0.32 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 1tqs n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tqs s HIS 208 N -2.80 0.80 -0.00 1.61 3.76 -1.09 -4.62 115.29 112.94 1tqs s HIS 208 Ca 0.00 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 1tqs s HIS 208 Cb 0.00 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 1tqs s HIS 208 CO 0.00 -0.02 -0.13 0.45 -0.85 0.00 0.00 174.74 174.19 1tqs s SER 209 N -0.80 4.16 0.00 1.40 0.15 -1.26 -0.95 113.70 116.40 1tqs s SER 209 Ca -0.01 -0.25 0.13 0.00 0.70 0.00 0.00 55.95 56.52 1tqs s SER 209 Cb -0.06 -0.85 0.58 0.00 -1.71 0.00 0.00 66.02 63.98 1tqs s SER 209 CO 0.00 0.30 1.43 -0.81 1.20 0.00 0.00 173.24 175.36 1tqs n PRO 210 N 1.81 0.00 0.25 5.44 -0.04 -1.26 -1.92 135.00 139.29 1tqs n PRO 210 Ca -0.16 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1tqs n PRO 210 Cb 0.52 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.13 1tqs n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1tqs h THR 211 N 0.00 0.90 0.56 0.52 2.02 -1.95 -2.34 112.91 112.62 1tqs h THR 211 Ca 0.00 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1tqs h THR 211 Cb 0.23 1.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1tqs h THR 211 CO 0.00 0.10 -0.27 0.24 0.37 0.00 0.00 175.52 175.96 1tqs h MET 212 N 0.00 -0.72 -0.05 6.66 2.86 -1.79 -1.67 114.93 120.22 1tqs h MET 212 Ca -0.00 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1tqs h MET 212 Cb 0.20 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1tqs h MET 212 CO 0.01 -0.42 -0.03 -1.00 1.06 0.00 0.00 176.91 176.53 1tqs h PRO 213 N -0.95 0.07 0.09 -0.22 0.13 -1.74 0.38 132.00 129.75 1tqs h PRO 213 Ca -0.08 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1tqs h PRO 213 Cb 0.64 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.73 1tqs h PRO 213 CO 0.13 0.11 -0.19 -0.92 -0.23 0.00 0.00 178.00 176.89 1tqs h TYR 214 N 0.07 -0.50 -0.23 1.56 3.20 -1.23 0.66 116.97 120.49 1tqs h TYR 214 Ca 0.02 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 1tqs h TYR 214 Cb 0.11 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1tqs h TYR 214 CO 0.00 -0.28 -0.24 0.82 -1.64 0.00 0.00 178.16 176.83 1tqs h ILE 215 N -0.35 1.32 -0.54 1.81 2.04 -0.85 -3.07 117.51 117.86 1tqs h ILE 215 Ca 0.03 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 1tqs h ILE 215 Cb 0.38 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1tqs h ILE 215 CO -0.12 0.44 0.27 -0.07 0.00 0.00 0.00 178.15 178.67 1tqs h LEU 216 N 0.27 0.70 -1.61 1.44 3.38 -0.84 -2.09 115.31 116.57 1tqs h LEU 216 Ca 0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1tqs h LEU 216 Cb 0.79 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1tqs h LEU 216 CO 0.06 0.63 -0.21 -0.61 0.09 0.00 0.00 178.44 178.39 1tqs h GLN 217 N 0.73 0.00 -0.11 1.13 -0.00 -0.92 -0.22 115.11 115.72 1tqs h GLN 217 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 1tqs h GLN 217 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.58 1tqs h GLN 217 CO -0.03 0.21 0.00 1.63 0.00 0.00 0.00 178.83 180.65 1tqs n LYS 218 N -4.12 1.52 -0.31 1.69 5.02 -0.91 -3.62 118.16 117.43 1tqs n LYS 218 Ca -0.02 -0.77 0.08 0.00 -2.02 0.00 0.00 58.31 55.58 1tqs n LYS 218 Cb 0.28 -1.38 0.16 0.00 -0.02 0.00 0.00 35.03 34.07 1tqs n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1tqs n SER 219 N -0.01 2.00 0.00 4.39 7.64 -0.20 -1.82 113.62 125.62 1tqs n SER 219 Ca 0.16 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1tqs n SER 219 Cb 0.26 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1tqs n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tqs n GLY 220 N -1.22 0.83 3.80 0.23 0.00 -1.14 -4.90 105.19 102.79 1tqs n GLY 220 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1tqs n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tqs s PHE 221 N -3.27 2.98 0.00 1.61 0.40 -0.59 -4.81 117.98 114.31 1tqs s PHE 221 Ca 0.00 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.85 1tqs s PHE 221 Cb 0.00 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.51 1tqs s PHE 221 CO 0.00 -1.09 0.00 1.63 0.70 0.00 0.00 175.22 176.46 1tqs n LYS 222 N -1.90 1.11 -3.69 0.44 5.02 0.11 -4.58 118.16 114.66 1tqs n LYS 222 Ca 0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.25 1tqs n LYS 222 Cb 0.53 -0.92 -0.07 0.00 -0.02 0.00 0.00 35.03 34.55 1tqs n LYS 222 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1tqs s ASN 223 N -1.83 -0.24 0.07 4.39 -0.87 -0.98 -3.89 114.94 111.59 1tqs s ASN 223 Ca 0.00 -0.04 -0.11 0.00 -1.57 0.00 0.00 52.86 51.14 1tqs s ASN 223 Cb 0.00 0.40 0.01 0.00 -0.02 0.00 0.00 41.25 41.64 1tqs s ASN 223 CO 0.00 -0.64 0.25 0.00 -2.57 0.00 0.00 177.10 174.14 1tqs s MET 224 N -2.41 0.83 -0.02 -0.60 0.23 -0.11 -1.37 119.30 115.86 1tqs s MET 224 Ca -0.06 -0.74 0.04 0.00 -1.03 0.00 0.00 55.69 53.91 1tqs s MET 224 Cb -0.01 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.63 1tqs s MET 224 CO -0.02 -0.27 -0.15 -1.17 -2.03 0.00 0.00 175.02 171.38 1tqs s LEU 225 N -2.47 1.99 0.14 0.18 0.20 -0.00 -0.36 118.68 118.36 1tqs s LEU 225 Ca -0.00 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.59 1tqs s LEU 225 Cb 0.02 -0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 44.96 1tqs s LEU 225 CO -0.08 0.17 -0.09 0.27 -0.29 0.00 0.00 176.35 176.34 1tqs s ILE 226 N -0.26 1.07 0.00 6.68 -4.36 -0.27 -1.40 121.20 122.65 1tqs s ILE 226 Ca 0.04 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1tqs s ILE 226 Cb -0.07 -1.85 0.00 0.00 1.25 0.00 0.00 42.46 41.79 1tqs s ILE 226 CO -0.00 -0.74 0.00 1.67 0.24 0.00 0.00 174.94 176.11 1tqs n GLN 227 N -0.18 0.00 -2.85 0.37 -0.06 -1.16 -1.30 117.38 112.20 1tqs n GLN 227 Ca -0.10 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.47 1tqs n GLN 227 Cb 0.61 -0.24 -0.03 0.00 -4.06 0.00 0.00 30.24 26.52 1tqs n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1tqs s ARG 228 N -1.84 3.59 0.16 3.69 0.52 -1.26 -4.75 118.95 119.06 1tqs s ARG 228 Ca 0.00 -1.62 0.08 0.00 -0.52 0.00 0.00 55.73 53.68 1tqs s ARG 228 Cb 0.00 -5.01 -0.04 0.00 0.52 0.00 0.00 34.95 30.42 1tqs s ARG 228 CO 0.00 -1.87 -0.18 0.95 0.02 0.00 0.00 175.30 174.22 1tqs s THR 229 N 3.19 1.80 0.23 0.02 -4.23 -1.26 -2.59 115.64 112.80 1tqs s THR 229 Ca 0.36 -1.89 -0.31 0.00 -1.18 0.00 0.00 61.69 58.66 1tqs s THR 229 Cb -0.04 -1.82 -0.15 0.00 1.34 0.00 0.00 72.50 71.83 1tqs s THR 229 CO -0.10 -0.31 1.12 1.57 -0.54 0.00 0.00 174.62 176.37 1tqs n HIS 230 N 0.34 1.35 0.16 3.99 -0.00 -1.26 -4.74 115.22 115.05 1tqs n HIS 230 Ca -0.13 0.67 0.13 0.00 0.46 0.00 0.00 57.72 58.84 1tqs n HIS 230 Cb 0.57 -2.28 0.66 0.00 -0.12 0.00 0.00 29.99 28.82 1tqs n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 1tqs h TYR 231 N 2.87 0.00 -0.10 1.57 -0.00 -1.81 0.24 116.97 119.75 1tqs h TYR 231 Ca -0.42 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.16 1tqs h TYR 231 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.06 1tqs h TYR 231 CO 0.51 0.00 -0.60 0.77 -0.00 0.00 0.00 178.16 178.84 1tqs h SER 232 N 0.00 0.38 -0.25 0.10 0.02 -1.88 -2.14 113.55 109.78 1tqs h SER 232 Ca 0.10 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1tqs h SER 232 Cb 0.39 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1tqs h SER 232 CO -0.00 0.89 -0.10 0.58 -1.14 0.00 0.00 176.83 177.05 1tqs h VAL 233 N 0.25 1.30 -0.60 2.27 2.07 -1.33 -1.61 116.25 118.59 1tqs h VAL 233 Ca -0.01 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1tqs h VAL 233 Cb 1.12 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 1tqs h VAL 233 CO 0.10 0.36 0.28 0.11 0.02 0.00 0.00 177.57 178.44 1tqs h LYS 234 N 0.23 0.50 -0.46 1.57 1.57 -1.21 -0.26 116.57 118.49 1tqs h LYS 234 Ca 0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1tqs h LYS 234 Cb 0.60 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1tqs h LYS 234 CO 0.03 0.33 0.22 -0.22 -0.57 0.00 0.00 179.45 179.24 1tqs h LYS 235 N 0.51 0.67 -0.04 3.15 3.64 -1.25 0.58 116.57 123.83 1tqs h LYS 235 Ca 0.28 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1tqs h LYS 235 Cb 0.27 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1tqs h LYS 235 CO -0.23 0.57 0.01 1.49 -2.27 0.00 0.00 179.45 179.02 1tqs h GLU 236 N 0.60 0.06 -0.33 1.90 4.57 -0.96 -1.63 114.58 118.79 1tqs h GLU 236 Ca 0.16 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 1tqs h GLU 236 Cb 0.12 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1tqs h GLU 236 CO -0.02 0.24 -0.30 -0.07 -1.18 0.00 0.00 179.01 177.68 1tqs h LEU 237 N -0.14 0.72 -0.80 1.64 3.38 -1.03 -2.99 115.31 116.10 1tqs h LEU 237 Ca 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1tqs h LEU 237 Cb 0.21 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1tqs h LEU 237 CO -0.00 0.98 0.44 0.00 0.09 0.00 0.00 178.44 179.95 1tqs h ALA 238 N 1.07 1.02 0.00 1.53 0.00 -0.70 0.98 119.26 123.16 1tqs h ALA 238 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1tqs h ALA 238 Cb 0.81 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tqs h ALA 238 CO 0.07 0.53 -0.03 1.96 0.00 0.00 0.00 179.25 181.77 1tqs h GLN 239 N 1.11 0.00 -0.50 0.00 4.20 -1.15 -1.67 115.11 117.10 1tqs h GLN 239 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1tqs h GLN 239 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1tqs h GLN 239 CO -0.05 0.03 0.00 1.04 -0.67 0.00 0.00 178.83 179.19 1tqs n GLN 240 N -4.41 2.56 -3.89 1.46 1.13 -0.85 -4.96 117.38 108.42 1tqs n GLN 240 Ca -0.03 -2.39 -0.25 0.00 -1.94 0.00 0.00 57.00 52.39 1tqs n GLN 240 Cb 0.12 -1.52 -0.00 0.00 0.11 0.00 0.00 30.24 28.95 1tqs n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1tqs n ARG 241 N 1.50 -3.90 -0.63 -1.09 1.74 -0.54 -4.90 116.66 108.83 1tqs n ARG 241 Ca 0.21 0.48 0.02 0.00 -0.77 0.00 0.00 57.85 57.78 1tqs n ARG 241 Cb 0.60 -4.81 0.20 0.00 -1.02 0.00 0.00 32.46 27.44 1tqs n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1tqs n GLN 242 N -4.38 1.84 0.17 5.56 6.02 0.23 -4.63 117.38 122.19 1tqs n GLN 242 Ca -0.27 -3.11 0.13 0.00 -0.01 0.00 0.00 57.00 53.73 1tqs n GLN 242 Cb 0.67 -1.73 0.28 0.00 1.02 0.00 0.00 30.24 30.47 1tqs n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1tqs h LEU 243 N 0.98 0.00 -8.71 1.08 3.38 -1.82 -3.42 115.31 106.81 1tqs h LEU 243 Ca 0.11 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.43 1tqs h LEU 243 Cb 1.39 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.89 1tqs h LEU 243 CO 0.22 0.00 -0.72 -1.61 0.09 0.00 0.00 178.44 176.42 1tqs s GLU 244 N -3.16 3.50 0.16 1.13 2.02 -1.26 -0.29 118.70 120.80 1tqs s GLU 244 Ca 0.09 -0.62 -0.17 0.00 0.02 0.00 0.00 54.97 54.29 1tqs s GLU 244 Cb 0.08 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.60 1tqs s GLU 244 CO 0.64 0.23 0.46 -0.59 0.02 0.00 0.00 175.26 176.02 1tqs s PHE 245 N 0.34 -0.18 -0.51 1.61 -0.12 -0.32 -4.25 117.98 114.56 1tqs s PHE 245 Ca -0.08 -0.14 -0.19 0.00 -0.05 0.00 0.00 56.93 56.47 1tqs s PHE 245 Cb -0.15 0.32 0.06 0.00 -0.63 0.00 0.00 43.02 42.62 1tqs s PHE 245 CO 0.05 -0.80 0.61 -0.51 -0.05 0.00 0.00 175.22 174.52 1tqs s LEU 246 N -2.83 5.06 -0.43 -1.99 1.43 0.03 -0.36 118.68 119.59 1tqs s LEU 246 Ca 0.06 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.94 1tqs s LEU 246 Cb 0.01 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.83 1tqs s LEU 246 CO -0.08 -0.89 0.74 0.86 0.23 0.00 0.00 176.35 177.21 1tqs s TRP 247 N 2.55 3.04 0.31 0.29 -0.00 -0.29 -1.42 118.94 123.41 1tqs s TRP 247 Ca 0.14 0.19 0.08 0.00 -0.00 0.00 0.00 56.10 56.51 1tqs s TRP 247 Cb -0.20 -3.52 -0.04 0.00 -0.00 0.00 0.00 33.47 29.71 1tqs s TRP 247 CO 0.11 -0.90 0.15 -0.98 -0.00 0.00 0.00 176.95 175.33 1tqs s ARG 248 N 3.12 2.51 0.67 5.86 1.70 -0.25 -1.38 118.95 131.20 1tqs s ARG 248 Ca 0.28 -1.40 -0.15 0.00 -0.47 0.00 0.00 55.73 54.00 1tqs s ARG 248 Cb -0.13 -2.29 0.01 0.00 -0.57 0.00 0.00 34.95 31.97 1tqs s ARG 248 CO 0.21 0.20 1.11 -0.65 -1.08 0.00 0.00 175.30 175.09 1tqs s GLN 249 N -3.84 2.70 0.57 3.89 -1.52 -1.26 -4.36 119.66 115.84 1tqs s GLN 249 Ca 0.36 1.40 0.34 0.00 -1.95 0.00 0.00 55.36 55.51 1tqs s GLN 249 Cb -0.05 -1.94 1.70 0.00 -0.22 0.00 0.00 33.01 32.51 1tqs s GLN 249 CO 0.23 -1.33 2.14 -0.84 -0.25 0.00 0.00 175.29 175.24 1tqs h ILE 250 N -0.10 0.28 -0.11 1.08 3.07 -1.94 -1.83 117.51 117.96 1tqs h ILE 250 Ca -0.46 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.57 1tqs h ILE 250 Cb 1.25 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 1tqs h ILE 250 CO 0.53 0.06 0.00 -2.67 -1.05 0.00 0.00 178.15 175.02 1tqs n TRP 251 N -3.36 0.11 -2.76 0.16 2.14 -1.26 -4.64 117.44 107.83 1tqs n TRP 251 Ca -0.02 -0.06 -0.42 0.00 2.07 0.00 0.00 57.50 59.07 1tqs n TRP 251 Cb 0.21 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.67 1tqs n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1tqs s ASP 252 N -1.81 6.20 0.21 -0.67 2.15 -0.69 -4.69 116.67 117.37 1tqs s ASP 252 Ca 0.29 -0.90 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 1tqs s ASP 252 Cb 0.20 -2.46 0.16 0.00 -0.30 0.00 0.00 42.92 40.52 1tqs s ASP 252 CO 0.29 -1.54 1.55 -1.13 -0.17 0.00 0.00 175.17 174.18 1tqs h ASN 253 N 9.67 0.63 0.60 -0.34 -1.24 -1.88 -3.32 115.58 119.71 1tqs h ASN 253 Ca -0.25 -0.30 -0.28 0.00 0.71 0.00 0.00 56.30 56.18 1tqs h ASN 253 Cb 1.06 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.91 1tqs h ASN 253 CO 1.21 1.00 -1.42 0.50 -1.29 0.00 0.00 177.43 177.43 1tqs h LYS 254 N 0.47 0.14 0.00 6.67 3.64 -1.98 -3.44 116.57 122.07 1tqs h LYS 254 Ca 0.03 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1tqs h LYS 254 Cb 0.97 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1tqs h LYS 254 CO 0.09 0.97 0.00 0.41 -2.27 0.00 0.00 179.45 178.65 1tqs n GLY 255 N 1.56 1.01 0.14 5.01 0.00 -1.25 -4.99 105.19 106.67 1tqs n GLY 255 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1tqs n GLY 255 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tqs n ASP 256 N 0.00 0.71 -0.11 1.61 8.00 -1.26 -1.78 116.55 123.72 1tqs n ASP 256 Ca 0.00 0.68 0.14 0.00 0.71 0.00 0.00 54.79 56.32 1tqs n ASP 256 Cb 0.00 -0.83 0.51 0.00 -0.02 0.00 0.00 41.12 40.78 1tqs n ASP 256 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1tqs n THR 257 N -2.29 0.00 -1.72 -3.53 -2.24 -1.26 -4.97 114.28 98.27 1tqs n THR 257 Ca 0.02 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1tqs n THR 257 Cb 0.22 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 1tqs n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tqs n ALA 258 N -1.06 1.74 -3.62 6.98 0.00 -0.74 -4.71 120.51 119.11 1tqs n ALA 258 Ca 0.12 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.72 1tqs n ALA 258 Cb 0.31 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 17.26 1tqs n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1tqs s LEU 259 N -0.96 1.33 0.18 0.00 2.96 -0.48 -4.88 118.68 116.83 1tqs s LEU 259 Ca 0.59 -0.15 -0.32 0.00 -0.22 0.00 0.00 54.13 54.03 1tqs s LEU 259 Cb -0.55 -0.50 -0.11 0.00 0.50 0.00 0.00 46.19 45.54 1tqs s LEU 259 CO 0.58 -0.05 1.64 0.12 -1.32 0.00 0.00 176.35 177.31 1tqs s PHE 260 N 0.95 2.99 -0.03 5.38 5.36 -1.25 -1.14 117.98 130.23 1tqs s PHE 260 Ca -0.10 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 56.40 1tqs s PHE 260 Cb -0.14 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 1tqs s PHE 260 CO 0.00 -3.81 -0.12 0.99 -1.46 0.00 0.00 175.22 170.82 1tqs s THR 261 N 1.18 1.05 -0.24 0.12 2.01 0.51 -0.94 115.64 119.33 1tqs s THR 261 Ca 0.72 -0.51 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 1tqs s THR 261 Cb -0.46 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.13 1tqs s THR 261 CO 0.32 0.31 -0.01 -2.28 -0.69 0.00 0.00 174.62 172.27 1tqs s HIS 262 N 0.12 3.02 -0.21 4.92 2.46 0.51 -1.17 115.29 124.94 1tqs s HIS 262 Ca -0.03 -1.02 -0.14 0.00 0.47 0.00 0.00 55.06 54.33 1tqs s HIS 262 Cb -0.10 -2.14 -0.04 0.00 -0.13 0.00 0.00 32.58 30.18 1tqs s HIS 262 CO 0.01 -0.57 0.33 1.41 -2.47 0.00 0.00 174.74 173.44 1tqs s MET 263 N 1.46 4.15 0.68 2.88 1.75 0.61 -1.12 119.30 129.72 1tqs s MET 263 Ca 0.04 0.07 -0.15 0.00 -1.25 0.00 0.00 55.69 54.40 1tqs s MET 263 Cb -0.15 -3.53 0.01 0.00 2.84 0.00 0.00 34.83 34.00 1tqs s MET 263 CO -0.02 0.00 1.15 -1.64 -0.65 0.00 0.00 175.02 173.86 1tqs s MET 264 N 1.20 2.56 0.10 4.11 -1.94 -0.42 -4.78 119.30 120.12 1tqs s MET 264 Ca 0.16 1.54 0.23 0.00 -1.71 0.00 0.00 55.69 55.91 1tqs s MET 264 Cb -0.14 -1.91 0.03 0.00 2.01 0.00 0.00 34.83 34.82 1tqs s MET 264 CO 0.07 -1.47 1.00 -0.35 -0.01 0.00 0.00 175.02 174.26 1tqs n PRO 265 N -2.50 0.43 -3.38 2.03 -0.04 -1.26 -4.87 135.00 125.41 1tqs n PRO 265 Ca 0.12 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.39 1tqs n PRO 265 Cb 0.51 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1tqs n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tqs n PHE 266 N -2.23 -0.52 0.20 0.54 0.99 -1.26 -4.82 117.46 110.36 1tqs n PHE 266 Ca 0.01 -1.77 0.08 0.00 -0.00 0.00 0.00 57.45 55.77 1tqs n PHE 266 Cb 0.49 -0.32 0.38 0.00 -1.00 0.00 0.00 39.48 39.02 1tqs n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1tqs h TYR 267 N 0.72 0.00 -3.91 1.38 3.20 -1.96 -3.46 116.97 112.95 1tqs h TYR 267 Ca -0.27 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.49 1tqs h TYR 267 Cb 0.95 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.10 1tqs h TYR 267 CO 0.00 0.31 -0.31 0.45 -1.64 0.00 0.00 178.16 176.97 1tqs s SER 268 N -6.32 0.02 0.00 -2.11 0.15 -1.26 -5.03 113.70 99.14 1tqs s SER 268 Ca 0.01 -0.94 0.28 0.00 0.70 0.00 0.00 55.95 56.00 1tqs s SER 268 Cb 0.10 0.46 1.07 0.00 -1.71 0.00 0.00 66.02 65.94 1tqs s SER 268 CO 0.67 -0.94 1.75 0.00 1.20 0.00 0.00 173.24 175.92 1tqs n TYR 269 N -0.26 0.00 -1.18 3.44 0.18 -1.26 -4.49 117.16 113.60 1tqs n TYR 269 Ca -0.05 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.44 1tqs n TYR 269 Cb 0.63 -0.04 0.17 0.00 -0.38 0.00 0.00 39.34 39.71 1tqs n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1tqs s ASP 270 N -2.16 2.86 0.22 9.48 1.47 -1.26 -4.62 116.67 122.67 1tqs s ASP 270 Ca 0.35 1.28 -0.08 0.00 1.18 0.00 0.00 52.55 55.28 1tqs s ASP 270 Cb 0.21 -1.95 0.18 0.00 -0.34 0.00 0.00 42.92 41.02 1tqs s ASP 270 CO 0.39 -3.00 1.85 0.40 0.68 0.00 0.00 175.17 175.50 1tqs h ILE 271 N -1.80 1.24 -0.05 2.11 2.04 -1.89 -1.80 117.51 117.37 1tqs h ILE 271 Ca -0.53 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 64.76 1tqs h ILE 271 Cb 1.32 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1tqs h ILE 271 CO 0.57 0.27 0.07 -0.65 0.00 0.00 0.00 178.15 178.40 1tqs h PRO 272 N 1.16 0.00 -0.21 2.37 0.11 -1.88 -2.15 132.00 131.41 1tqs h PRO 272 Ca 0.30 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 1tqs h PRO 272 Cb 0.01 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1tqs h PRO 272 CO -0.05 0.00 -0.05 0.72 -0.21 0.00 0.00 178.00 178.41 1tqs n HIS 273 N -3.65 0.70 0.00 0.65 8.25 -0.71 -3.83 115.22 116.64 1tqs n HIS 273 Ca -0.02 -1.13 0.00 0.00 -0.26 0.00 0.00 57.72 56.31 1tqs n HIS 273 Cb 0.16 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1tqs n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1tqs n THR 274 N -0.93 0.00 0.27 1.59 -2.24 -0.81 -4.58 114.28 107.58 1tqs n THR 274 Ca 0.23 -0.28 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 1tqs n THR 274 Cb 0.86 0.98 0.09 0.00 -2.10 0.00 0.00 70.33 70.16 1tqs n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tqs n GLY 276 N 1.21 -1.95 0.19 0.00 0.00 -1.26 -3.52 105.19 99.86 1tqs n GLY 276 Ca 0.02 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 45.00 1tqs n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tqs h PRO 277 N 0.00 0.00 -4.55 1.61 0.13 -1.93 -3.42 132.00 123.84 1tqs h PRO 277 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 1tqs h PRO 277 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1tqs h PRO 277 CO 0.00 0.00 -0.55 0.34 -0.23 0.00 0.00 178.00 177.56 1tqs s ASP 278 N -5.12 5.39 0.55 1.44 -1.08 -1.26 -3.27 116.67 113.32 1tqs s ASP 278 Ca 0.04 -1.51 0.29 0.00 -0.52 0.00 0.00 52.55 50.86 1tqs s ASP 278 Cb 0.09 -1.89 1.61 0.00 -1.46 0.00 0.00 42.92 41.26 1tqs s ASP 278 CO 0.52 -0.46 2.13 1.55 0.52 0.00 0.00 175.17 179.44 1tqs h PRO 279 N 8.23 0.00 -0.12 4.34 0.13 -1.79 -1.19 132.00 141.60 1tqs h PRO 279 Ca -0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1tqs h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1tqs h PRO 279 CO 0.68 0.08 -0.29 -0.22 -0.23 0.00 0.00 178.00 178.02 1tqs h LYS 280 N 0.00 0.22 0.00 0.86 3.64 -1.93 -0.02 116.57 119.35 1tqs h LYS 280 Ca -0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1tqs h LYS 280 Cb 0.24 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1tqs h LYS 280 CO 0.01 0.50 -0.06 0.28 -2.27 0.00 0.00 179.45 177.91 1tqs h VAL 281 N 0.20 1.72 -0.32 2.00 2.07 -1.67 -3.37 116.25 116.88 1tqs h VAL 281 Ca 0.03 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 1tqs h VAL 281 Cb 0.61 3.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1tqs h VAL 281 CO 0.04 0.58 0.16 0.00 0.02 0.00 0.00 177.57 178.38 1tqs n GLN 284 N -4.03 0.37 -0.33 0.00 6.02 -0.36 -2.20 117.38 116.86 1tqs n GLN 284 Ca -0.01 0.07 0.07 0.00 -0.01 0.00 0.00 57.00 57.12 1tqs n GLN 284 Cb 0.16 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.13 1tqs n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1tqs n PHE 285 N -1.23 0.72 -3.41 1.08 3.72 -0.09 -4.23 117.46 114.01 1tqs n PHE 285 Ca 0.11 -0.74 -0.44 0.00 -0.05 0.00 0.00 57.45 56.33 1tqs n PHE 285 Cb 0.15 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1tqs n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1tqs s ASP 286 N -1.60 6.19 0.00 4.37 -1.08 -0.94 -4.95 116.67 118.66 1tqs s ASP 286 Ca 0.34 -2.25 0.20 0.00 -0.52 0.00 0.00 52.55 50.32 1tqs s ASP 286 Cb 0.25 -2.13 1.10 0.00 -1.46 0.00 0.00 42.92 40.69 1tqs s ASP 286 CO 0.11 -0.67 1.60 0.49 0.52 0.00 0.00 175.17 177.22 1tqs n PHE 287 N 4.54 0.00 1.66 -5.34 3.01 -1.26 -1.62 117.46 118.45 1tqs n PHE 287 Ca -0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1tqs n PHE 287 Cb 0.42 -0.13 0.82 0.00 -0.01 0.00 0.00 39.48 40.58 1tqs n PHE 287 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1tqs n LYS 288 N -1.13 0.70 -1.13 -1.08 4.81 -1.26 -4.14 118.16 114.93 1tqs n LYS 288 Ca 0.12 -0.04 -0.18 0.00 -0.87 0.00 0.00 58.31 57.35 1tqs n LYS 288 Cb 0.11 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 33.86 1tqs n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1tqs n ARG 289 N -1.12 2.43 0.00 1.64 1.74 -0.64 -4.49 116.66 116.23 1tqs n ARG 289 Ca 0.18 -3.05 0.12 0.00 -0.77 0.00 0.00 57.85 54.33 1tqs n ARG 289 Cb 0.19 -2.13 0.27 0.00 -1.02 0.00 0.00 32.46 29.77 1tqs n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1tqs n MET 290 N -0.99 0.02 0.00 5.56 2.81 -1.26 -4.34 117.12 118.93 1tqs n MET 290 Ca 0.53 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1tqs n MET 290 Cb 1.53 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 1tqs n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tqs n GLY 291 N 1.49 3.97 0.25 3.03 0.00 -1.24 -4.99 105.19 107.69 1tqs n GLY 291 Ca 0.05 -0.73 0.17 0.00 0.00 0.00 0.00 46.02 45.52 1tqs n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tqs h SER 292 N 0.38 0.00 -0.12 1.61 4.64 -1.90 -1.14 113.55 117.02 1tqs h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tqs h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1tqs h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1tqs n PHE 293 N -2.76 0.14 -1.08 4.77 3.01 -1.26 -4.96 117.46 115.31 1tqs n PHE 293 Ca -0.01 -0.07 -0.03 0.00 1.01 0.00 0.00 57.45 58.35 1tqs n PHE 293 Cb 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.60 1tqs n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tqs n GLY 294 N 1.32 0.61 3.35 1.37 0.00 -0.43 -5.03 105.19 106.37 1tqs n GLY 294 Ca 0.17 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 1tqs n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tqs s LEU 295 N -0.66 2.42 0.30 0.99 1.43 -1.26 -5.06 118.68 116.84 1tqs s LEU 295 Ca 0.00 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 1tqs s LEU 295 Cb 0.00 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1tqs s LEU 295 CO 0.00 0.01 0.47 -0.94 0.23 0.00 0.00 176.35 176.12 1tqs s SER 296 N -2.56 0.47 -0.26 2.29 1.04 -1.26 -3.67 113.70 109.75 1tqs s SER 296 Ca 0.15 -1.27 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 1tqs s SER 296 Cb -0.07 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 1tqs s SER 296 CO 0.07 -1.24 0.20 0.00 0.98 0.00 0.00 173.24 173.25 1tqs n PRO 298 N 4.83 0.14 -0.00 0.00 -0.04 -1.26 -1.29 135.00 137.38 1tqs n PRO 298 Ca -0.14 0.37 0.15 0.00 -0.04 0.00 0.00 63.50 63.84 1tqs n PRO 298 Cb 0.52 -1.77 0.82 0.00 -0.04 0.00 0.00 33.50 33.03 1tqs n PRO 298 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1tqs n TRP 299 N -2.04 0.00 -1.05 0.54 8.01 -1.26 -4.92 117.44 116.72 1tqs n TRP 299 Ca 0.03 -0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.20 1tqs n TRP 299 Cb 0.22 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.51 1tqs n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1tqs n LYS 300 N -0.67 -0.41 -4.08 -0.99 5.02 -0.41 -5.01 118.16 111.61 1tqs n LYS 300 Ca 0.22 0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 56.52 1tqs n LYS 300 Cb 0.18 -3.82 -0.16 0.00 -0.02 0.00 0.00 35.03 31.21 1tqs n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1tqs s VAL 301 N -1.93 1.93 0.55 -0.18 1.01 -1.26 -5.07 120.40 115.46 1tqs s VAL 301 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1tqs s VAL 301 Cb 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1tqs s VAL 301 CO 0.00 0.44 0.86 -2.16 0.00 0.00 0.00 175.10 174.24 1tqs s PRO 302 N 1.32 3.18 0.65 2.72 0.04 -1.26 -4.54 135.00 137.12 1tqs s PRO 302 Ca 0.03 0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.03 1tqs s PRO 302 Cb -0.14 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1tqs s PRO 302 CO -0.11 -0.51 1.11 -2.14 0.04 0.00 0.00 177.00 175.38 1tqs s PRO 303 N -4.91 2.86 -0.00 0.56 0.02 -1.26 -4.76 135.00 127.51 1tqs s PRO 303 Ca 0.52 1.38 0.06 0.00 0.02 0.00 0.00 61.00 62.97 1tqs s PRO 303 Cb -0.10 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 1tqs s PRO 303 CO 0.45 -1.20 -0.19 1.03 -0.33 0.00 0.00 177.00 176.77 1tqs s ARG 304 N -4.07 1.48 0.28 5.54 0.52 -1.26 -4.79 118.95 116.65 1tqs s ARG 304 Ca 0.67 -0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 1tqs s ARG 304 Cb -0.20 -1.46 -0.13 0.00 0.52 0.00 0.00 34.95 33.68 1tqs s ARG 304 CO 0.41 0.40 1.35 2.41 0.02 0.00 0.00 175.30 179.88 1tqs n THR 305 N 2.48 1.40 -2.66 0.02 -1.04 -1.26 -4.92 114.28 108.30 1tqs n THR 305 Ca -0.15 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 1tqs n THR 305 Cb 0.54 -1.50 -0.04 0.00 -1.82 0.00 0.00 70.33 67.50 1tqs n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1tqs s ILE 306 N -0.49 4.32 0.25 12.58 -1.09 -1.26 -4.97 121.20 130.54 1tqs s ILE 306 Ca 0.63 1.93 0.01 0.00 -2.23 0.00 0.00 60.65 60.99 1tqs s ILE 306 Cb -0.62 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 35.98 1tqs s ILE 306 CO 0.55 0.30 0.11 -0.94 -1.23 0.00 0.00 174.94 173.73 1tqs s SER 307 N 0.04 1.04 0.57 3.58 1.04 -1.26 -5.00 113.70 113.70 1tqs s SER 307 Ca 0.48 -1.42 0.34 0.00 0.48 0.00 0.00 55.95 55.83 1tqs s SER 307 Cb -0.25 0.25 1.71 0.00 0.10 0.00 0.00 66.02 67.82 1tqs s SER 307 CO 0.31 -0.78 2.14 0.44 0.98 0.00 0.00 173.24 176.33 1tqs h ASP 308 N 2.40 0.00 1.45 7.02 3.32 -2.00 -0.52 116.42 128.09 1tqs h ASP 308 Ca -0.37 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 1tqs h ASP 308 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1tqs h ASP 308 CO 0.58 0.06 -0.57 1.56 -1.72 0.00 0.00 179.24 179.14 1tqs h GLN 309 N 0.00 0.00 -0.00 3.56 7.50 -1.99 -3.36 115.11 120.82 1tqs h GLN 309 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1tqs h GLN 309 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.81 1tqs h GLN 309 CO 0.01 0.22 -0.02 0.27 -1.50 0.00 0.00 178.83 177.80 1tqs n ASN 310 N -3.04 1.21 0.08 1.46 0.23 -1.03 -4.75 115.26 109.43 1tqs n ASN 310 Ca 0.01 -1.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 1tqs n ASN 310 Cb 0.65 0.13 0.31 0.00 -2.08 0.00 0.00 39.78 38.80 1tqs n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1tqs h VAL 311 N 0.75 1.22 -0.32 3.53 3.04 -1.24 -0.90 116.25 122.33 1tqs h VAL 311 Ca 0.00 -1.00 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 1tqs h VAL 311 Cb 0.17 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1tqs h VAL 311 CO 0.00 0.31 -0.09 0.00 -1.01 0.00 0.00 177.57 176.78 1tqs h ALA 312 N 1.52 0.44 -0.46 3.17 0.00 -1.85 0.98 119.26 123.06 1tqs h ALA 312 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1tqs h ALA 312 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1tqs h ALA 312 CO 0.03 0.29 -0.14 0.00 0.00 0.00 0.00 179.25 179.43 1tqs h ALA 313 N 0.79 0.64 -0.60 0.00 0.00 -1.81 0.22 119.26 118.50 1tqs h ALA 313 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1tqs h ALA 313 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tqs h ALA 313 CO 0.03 0.56 0.14 0.00 0.00 0.00 0.00 179.25 179.99 1tqs h ARG 314 N 0.75 0.97 -0.66 0.00 2.47 -1.13 -2.20 114.38 114.58 1tqs h ARG 314 Ca 0.11 -0.24 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 1tqs h ARG 314 Cb 0.70 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 1tqs h ARG 314 CO 0.05 0.89 0.12 0.77 0.56 0.00 0.00 179.97 182.36 1tqs h SER 315 N 0.88 1.04 -0.50 7.04 0.02 -0.63 -1.16 113.55 120.24 1tqs h SER 315 Ca 0.19 -0.26 0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1tqs h SER 315 Cb 0.36 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 1tqs h SER 315 CO 0.00 1.03 0.12 0.44 -1.14 0.00 0.00 176.83 177.29 1tqs h ASP 316 N 1.01 0.05 -0.53 3.07 3.45 -0.65 0.60 116.42 123.42 1tqs h ASP 316 Ca 0.20 0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.67 1tqs h ASP 316 Cb 0.43 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 1tqs h ASP 316 CO 0.01 0.06 0.05 -0.07 -1.57 0.00 0.00 179.24 177.72 1tqs h LEU 317 N 0.27 0.88 -0.09 1.55 3.38 -1.05 -2.50 115.31 117.75 1tqs h LEU 317 Ca 0.25 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1tqs h LEU 317 Cb 0.32 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1tqs h LEU 317 CO -0.30 0.94 -0.50 0.25 0.09 0.00 0.00 178.44 178.92 1tqs h LEU 318 N 0.79 0.60 -1.07 1.67 5.85 -0.80 -2.54 115.31 119.80 1tqs h LEU 318 Ca 0.16 -0.66 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1tqs h LEU 318 Cb 0.46 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1tqs h LEU 318 CO 0.02 1.16 0.21 0.58 -0.34 0.00 0.00 178.44 180.06 1tqs h VAL 319 N 0.08 1.22 -0.69 1.05 2.07 -0.95 -0.66 116.25 118.37 1tqs h VAL 319 Ca -0.04 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1tqs h VAL 319 Cb 1.16 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1tqs h VAL 319 CO 0.10 0.28 0.41 -0.78 0.02 0.00 0.00 177.57 177.60 1tqs h ASP 320 N 0.85 0.83 -0.36 0.57 1.82 -1.34 0.89 116.42 119.67 1tqs h ASP 320 Ca 0.20 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1tqs h ASP 320 Cb 0.21 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1tqs h ASP 320 CO -0.01 0.65 0.20 1.56 -1.61 0.00 0.00 179.24 180.02 1tqs h GLN 321 N 0.93 0.51 -0.56 0.28 1.08 -0.93 -1.93 115.11 114.48 1tqs h GLN 321 Ca 0.25 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1tqs h GLN 321 Cb -0.02 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 1tqs h GLN 321 CO -0.05 0.42 0.37 -1.49 -0.95 0.00 0.00 178.83 177.14 1tqs h TRP 322 N 0.46 0.69 0.00 2.96 6.55 -0.73 -0.86 115.95 125.02 1tqs h TRP 322 Ca 0.13 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.90 1tqs h TRP 322 Cb 0.07 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 1tqs h TRP 322 CO -0.03 0.43 -0.41 0.87 -1.05 0.00 0.00 178.44 178.25 1tqs h LYS 323 N 0.75 0.00 -0.18 0.49 1.57 -0.73 0.49 116.57 118.96 1tqs h LYS 323 Ca 0.21 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1tqs h LYS 323 Cb -0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1tqs h LYS 323 CO -0.06 0.41 -0.10 0.87 -0.57 0.00 0.00 179.45 180.01 1tqs h LYS 324 N 0.00 0.38 -0.97 3.15 1.57 -0.97 -2.68 116.57 117.05 1tqs h LYS 324 Ca -0.00 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1tqs h LYS 324 Cb 0.75 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 1tqs h LYS 324 CO 0.05 0.70 0.64 -0.22 -0.57 0.00 0.00 179.45 180.05 1tqs h LYS 325 N 0.06 1.22 0.00 3.15 3.64 -0.78 -2.14 116.57 121.72 1tqs h LYS 325 Ca 0.04 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1tqs h LYS 325 Cb 0.59 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1tqs h LYS 325 CO 0.03 0.81 -0.10 0.00 -2.27 0.00 0.00 179.45 177.92 1tqs h ALA 326 N 1.38 1.30 0.00 5.00 0.00 -0.79 -1.44 119.26 124.72 1tqs h ALA 326 Ca 0.38 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1tqs h ALA 326 Cb -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1tqs h ALA 326 CO -0.11 0.12 -0.02 0.93 0.00 0.00 0.00 179.25 180.18 1tqs h GLU 327 N 0.00 0.00 -0.00 0.00 4.39 -1.04 -2.54 114.58 115.39 1tqs h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tqs h GLU 327 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1tqs h GLU 327 CO 0.01 0.02 -0.09 1.28 -1.16 0.00 0.00 179.01 179.07 1tqs n LEU 328 N -3.18 0.43 -4.45 1.33 4.77 -0.54 -4.90 117.00 110.46 1tqs n LEU 328 Ca -0.02 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1tqs n LEU 328 Cb 0.18 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1tqs n LEU 328 CO 0.24 0.08 -0.31 -0.31 -1.33 0.00 0.00 177.39 175.76 1tqs s TYR 329 N -2.43 1.98 -0.45 -1.77 1.51 -0.96 -4.43 117.35 110.81 1tqs s TYR 329 Ca 0.31 -0.83 0.22 0.00 -1.01 0.00 0.00 57.07 55.76 1tqs s TYR 329 Cb 0.20 -1.24 -0.13 0.00 -0.11 0.00 0.00 41.96 40.68 1tqs s TYR 329 CO 0.46 0.15 0.83 0.54 -1.11 0.00 0.00 175.55 176.41 1tqs n ARG 330 N -0.66 0.39 -3.56 -0.62 1.74 -1.26 -4.97 116.66 107.72 1tqs n ARG 330 Ca -0.04 -0.06 -0.24 0.00 -0.77 0.00 0.00 57.85 56.75 1tqs n ARG 330 Cb 0.65 -1.57 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 1tqs n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1tqs s THR 331 N -3.28 1.82 -0.36 0.55 -4.23 -1.26 -4.71 115.64 104.15 1tqs s THR 331 Ca 0.00 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 1tqs s THR 331 Cb 0.14 -2.12 0.66 0.00 1.34 0.00 0.00 72.50 72.52 1tqs s THR 331 CO 0.85 0.00 1.73 -0.46 -0.54 0.00 0.00 174.62 176.20 1tqs n ASN 332 N -1.96 4.41 -4.20 3.99 6.94 -1.26 -4.85 115.26 118.34 1tqs n ASN 332 Ca 0.05 -3.16 -0.33 0.00 -0.02 0.00 0.00 54.58 51.12 1tqs n ASN 332 Cb 0.63 -0.74 -0.16 0.00 -2.36 0.00 0.00 39.78 37.15 1tqs n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1tqs s VAL 333 N -2.78 2.37 -0.09 3.53 1.01 -1.26 -0.70 120.40 122.46 1tqs s VAL 333 Ca 0.50 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1tqs s VAL 333 Cb 0.40 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1tqs s VAL 333 CO 0.12 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.33 1tqs s LEU 334 N 1.01 2.38 -0.23 3.92 2.96 0.67 -4.96 118.68 124.44 1tqs s LEU 334 Ca -0.02 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.33 1tqs s LEU 334 Cb -0.15 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1tqs s LEU 334 CO -0.05 0.20 0.31 -0.22 -1.32 0.00 0.00 176.35 175.28 1tqs s LEU 335 N 0.10 4.12 -0.46 -0.68 2.96 -1.26 -0.94 118.68 122.53 1tqs s LEU 335 Ca -0.09 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1tqs s LEU 335 Cb -0.15 -2.36 0.13 0.00 0.50 0.00 0.00 46.19 44.30 1tqs s LEU 335 CO 0.06 -0.05 0.22 -0.63 -1.32 0.00 0.00 176.35 174.63 1tqs s ILE 336 N 1.35 2.00 0.56 6.68 -1.09 0.02 -4.97 121.20 125.75 1tqs s ILE 336 Ca 0.14 -2.82 -0.21 0.00 -2.23 0.00 0.00 60.65 55.53 1tqs s ILE 336 Cb -0.15 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1tqs s ILE 336 CO 0.07 -0.81 1.34 -2.84 -1.23 0.00 0.00 174.94 171.48 1tqs s PRO 337 N 0.18 3.09 -0.40 2.79 0.02 -1.26 -0.64 135.00 138.78 1tqs s PRO 337 Ca 0.16 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.39 1tqs s PRO 337 Cb -0.24 -2.21 0.14 0.00 0.02 0.00 0.00 34.50 32.20 1tqs s PRO 337 CO -0.02 -1.22 0.22 -1.17 -0.33 0.00 0.00 177.00 174.49 1tqs s LEU 338 N -3.61 1.88 0.00 -5.54 2.96 0.10 -4.75 118.68 109.71 1tqs s LEU 338 Ca 0.73 -2.41 -0.24 0.00 -0.22 0.00 0.00 54.13 51.98 1tqs s LEU 338 Cb -0.40 -0.73 0.08 0.00 0.50 0.00 0.00 46.19 45.64 1tqs s LEU 338 CO 0.46 -0.29 1.08 0.61 -1.32 0.00 0.00 176.35 176.89 1tqs n GLY 339 N 3.79 0.17 0.28 7.98 0.00 -1.26 -1.54 105.19 114.60 1tqs n GLY 339 Ca 0.10 -0.97 -0.00 0.00 0.00 0.00 0.00 46.02 45.15 1tqs n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tqs n ASP 340 N -0.81 -0.12 -4.69 1.61 -0.08 -1.25 -3.29 116.55 107.92 1tqs n ASP 340 Ca 0.05 -1.05 -0.42 0.00 -1.51 0.00 0.00 54.79 51.86 1tqs n ASP 340 Cb 0.46 0.19 -0.03 0.00 2.34 0.00 0.00 41.12 44.08 1tqs n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1tqs s ASP 341 N -1.18 6.67 -1.64 1.67 1.11 -1.26 -1.28 116.67 120.75 1tqs s ASP 341 Ca 0.02 2.40 -0.17 0.00 0.18 0.00 0.00 52.55 54.98 1tqs s ASP 341 Cb -0.00 -2.57 0.13 0.00 1.07 0.00 0.00 42.92 41.55 1tqs s ASP 341 CO 0.00 -0.83 0.87 0.49 1.18 0.00 0.00 175.17 176.88 1tqs n PHE 342 N 5.38 -1.96 -2.09 4.23 3.01 0.41 -4.81 117.46 121.64 1tqs n PHE 342 Ca 0.15 0.84 -0.28 0.00 1.01 0.00 0.00 57.45 59.17 1tqs n PHE 342 Cb 0.41 -3.34 0.13 0.00 -0.01 0.00 0.00 39.48 36.67 1tqs n PHE 342 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1tqs s ARG 343 N -6.81 1.35 -1.27 -1.08 1.81 -1.16 -4.38 118.95 107.41 1tqs s ARG 343 Ca 0.71 -0.40 -0.07 0.00 -1.72 0.00 0.00 55.73 54.24 1tqs s ARG 343 Cb -0.38 -2.01 0.01 0.00 -0.45 0.00 0.00 34.95 32.12 1tqs s ARG 343 CO 0.89 -1.88 1.11 1.19 -0.68 0.00 0.00 175.30 175.93 1tqs n PHE 344 N -3.37 -2.67 -0.07 -0.53 3.01 -1.26 -4.74 117.46 107.83 1tqs n PHE 344 Ca 0.12 0.96 -0.20 0.00 1.01 0.00 0.00 57.45 59.34 1tqs n PHE 344 Cb 0.60 -4.86 -0.12 0.00 -0.01 0.00 0.00 39.48 35.09 1tqs n PHE 344 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1tqs h LYS 345 N -2.49 0.07 -6.23 -1.08 3.64 -1.89 -3.39 116.57 105.20 1tqs h LYS 345 Ca -0.54 -0.12 -0.57 0.00 -1.27 0.00 0.00 60.65 58.14 1tqs h LYS 345 Cb 1.35 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 1tqs h LYS 345 CO 0.52 1.06 -0.15 -0.65 -2.27 0.00 0.00 179.45 177.96 1tqs s GLN 346 N -2.38 3.89 0.32 1.90 1.11 -1.26 -4.23 119.66 119.00 1tqs s GLN 346 Ca -0.25 0.36 0.02 0.00 0.01 0.00 0.00 55.36 55.51 1tqs s GLN 346 Cb 0.04 -2.97 0.60 0.00 -1.01 0.00 0.00 33.01 29.67 1tqs s GLN 346 CO 0.66 0.52 1.91 -0.91 0.01 0.00 0.00 175.29 177.48 1tqs h ASN 347 N 3.65 0.84 0.24 5.90 -0.26 -1.95 -0.47 115.58 123.52 1tqs h ASN 347 Ca -0.49 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.21 1tqs h ASN 347 Cb 1.19 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.28 1tqs h ASN 347 CO 0.66 0.53 -0.23 0.71 -1.06 0.00 0.00 177.43 178.04 1tqs h THR 348 N 0.94 1.14 -0.15 2.81 1.35 -1.99 -1.76 112.91 115.26 1tqs h THR 348 Ca 0.38 -0.78 -0.16 0.00 -0.55 0.00 0.00 66.41 65.30 1tqs h THR 348 Cb 0.27 1.43 0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1tqs h THR 348 CO -0.15 0.22 -0.54 -0.08 -0.25 0.00 0.00 175.52 174.73 1tqs h GLU 349 N 0.00 0.63 -0.52 4.72 4.81 -1.50 -1.00 114.58 121.72 1tqs h GLU 349 Ca -0.00 -0.48 0.07 0.00 -0.13 0.00 0.00 59.36 58.82 1tqs h GLU 349 Cb 0.41 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 1tqs h GLU 349 CO 0.03 1.10 0.19 -1.49 -0.73 0.00 0.00 179.01 178.10 1tqs h TRP 350 N 0.29 0.33 -0.32 0.92 4.06 -1.02 -1.90 115.95 118.31 1tqs h TRP 350 Ca -0.03 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 1tqs h TRP 350 Cb 1.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 1tqs h TRP 350 CO 0.10 0.10 0.05 -0.44 -3.56 0.00 0.00 178.44 174.69 1tqs h ASP 351 N 0.37 0.50 -0.24 -3.49 3.32 -1.25 -1.04 116.42 114.59 1tqs h ASP 351 Ca 0.25 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1tqs h ASP 351 Cb 0.27 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1tqs h ASP 351 CO -0.25 0.64 -0.16 1.62 -1.72 0.00 0.00 179.24 179.36 1tqs h VAL 352 N 0.35 1.26 -0.00 -1.35 3.04 -0.92 -0.39 116.25 118.23 1tqs h VAL 352 Ca 0.10 -1.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.58 1tqs h VAL 352 Cb 0.35 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1tqs h VAL 352 CO 0.01 0.40 -0.02 1.56 -1.01 0.00 0.00 177.57 178.50 1tqs h GLN 353 N 0.60 0.02 -0.12 4.17 1.08 -1.32 -3.11 115.11 116.44 1tqs h GLN 353 Ca 0.10 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1tqs h GLN 353 Cb 0.62 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1tqs h GLN 353 CO 0.04 0.67 0.07 -0.09 -0.95 0.00 0.00 178.83 178.57 1tqs h ARG 354 N -0.62 0.17 -0.41 1.46 2.43 -1.08 -1.91 114.38 114.43 1tqs h ARG 354 Ca -0.00 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1tqs h ARG 354 Cb 0.67 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1tqs h ARG 354 CO 0.00 0.18 -0.18 0.28 -1.51 0.00 0.00 179.97 178.75 1tqs h VAL 355 N 0.10 1.28 -0.53 0.20 2.07 -1.21 0.70 116.25 118.87 1tqs h VAL 355 Ca 0.04 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1tqs h VAL 355 Cb 0.06 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1tqs h VAL 355 CO -0.01 0.44 0.16 0.78 0.02 0.00 0.00 177.57 178.96 1tqs h ASN 356 N 0.66 0.78 -0.34 0.57 2.35 -1.53 -1.55 115.58 116.52 1tqs h ASN 356 Ca 0.09 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1tqs h ASN 356 Cb 0.73 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1tqs h ASN 356 CO 0.06 0.79 -0.11 1.88 -1.65 0.00 0.00 177.43 178.40 1tqs h TYR 357 N 0.74 0.85 -0.23 1.19 -1.99 -1.19 -2.15 116.97 114.18 1tqs h TYR 357 Ca 0.17 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.68 1tqs h TYR 357 Cb 0.30 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1tqs h TYR 357 CO 0.02 0.84 -0.12 0.93 -0.00 0.00 0.00 178.16 179.83 1tqs h GLU 358 N 0.70 0.38 -0.56 4.88 5.08 -0.60 0.60 114.58 125.07 1tqs h GLU 358 Ca 0.12 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1tqs h GLU 358 Cb 0.59 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1tqs h GLU 358 CO 0.04 0.51 -0.05 0.00 -1.00 0.00 0.00 179.01 178.50 1tqs h ARG 359 N 0.36 1.01 -0.33 2.33 3.08 -0.90 -1.25 114.38 118.68 1tqs h ARG 359 Ca 0.07 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1tqs h ARG 359 Cb 0.44 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1tqs h ARG 359 CO 0.03 1.02 0.09 -0.07 -1.07 0.00 0.00 179.97 179.97 1tqs h LEU 360 N 0.91 0.49 -0.52 3.04 3.38 -0.78 -2.50 115.31 119.34 1tqs h LEU 360 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1tqs h LEU 360 Cb 0.60 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1tqs h LEU 360 CO 0.04 0.59 0.31 -0.26 0.09 0.00 0.00 178.44 179.20 1tqs h PHE 361 N 0.37 0.70 -0.81 1.13 0.05 -0.69 0.29 116.94 117.98 1tqs h PHE 361 Ca 0.10 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1tqs h PHE 361 Cb 0.28 -0.23 -0.04 0.00 2.00 0.00 0.00 35.95 37.96 1tqs h PHE 361 CO 0.01 0.49 0.51 1.49 -0.18 0.00 0.00 178.31 180.64 1tqs h GLU 362 N 0.70 1.09 0.35 1.51 4.81 -1.13 -0.10 114.58 121.81 1tqs h GLU 362 Ca 0.19 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1tqs h GLU 362 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.15 1tqs h GLU 362 CO -0.03 0.74 -0.17 1.25 -0.73 0.00 0.00 179.01 180.07 1tqs h HIS 363 N 1.11 -0.43 -0.61 0.92 2.76 -1.13 -2.99 115.15 114.77 1tqs h HIS 363 Ca 0.29 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.50 1tqs h HIS 363 Cb -0.08 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 1tqs h HIS 363 CO -0.01 -0.10 0.33 0.82 -1.30 0.00 0.00 177.93 177.67 1tqs h ILE 364 N -0.82 0.98 0.00 6.26 2.04 -0.82 -2.11 117.51 123.03 1tqs h ILE 364 Ca -0.05 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1tqs h ILE 364 Cb 0.53 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1tqs h ILE 364 CO 0.08 0.12 0.00 0.78 0.00 0.00 0.00 178.15 179.12 1tqs h ASN 365 N 0.63 0.00 -0.01 1.72 2.35 -1.10 -2.65 115.58 116.53 1tqs h ASN 365 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1tqs h ASN 365 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1tqs h ASN 365 CO -0.17 0.00 -0.14 -1.54 -1.65 0.00 0.00 177.43 173.93 1tqs n SER 366 N -2.68 2.48 -4.27 5.81 3.41 -0.84 -4.77 113.62 112.77 1tqs n SER 366 Ca 0.02 -1.76 -0.44 0.00 -0.26 0.00 0.00 58.87 56.43 1tqs n SER 366 Cb 0.34 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1tqs n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1tqs s GLN 367 N -2.15 2.92 0.47 4.33 -1.52 -0.95 -4.95 119.66 117.81 1tqs s GLN 367 Ca 0.26 -1.94 0.19 0.00 -1.95 0.00 0.00 55.36 51.92 1tqs s GLN 367 Cb 0.20 -4.16 1.18 0.00 -0.22 0.00 0.00 33.01 30.00 1tqs s GLN 367 CO 0.39 -1.27 1.95 0.00 -0.25 0.00 0.00 175.29 176.11 1tqs h ALA 368 N 8.38 2.25 -0.09 6.09 0.00 -1.86 -1.87 119.26 132.18 1tqs h ALA 368 Ca -0.17 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1tqs h ALA 368 Cb 1.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1tqs h ALA 368 CO 0.90 -0.43 0.10 1.12 0.00 0.00 0.00 179.25 180.94 1tqs h HIS 369 N 0.26 0.00 0.00 0.00 2.07 -1.94 -0.87 115.15 114.68 1tqs h HIS 369 Ca 0.32 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.70 1tqs h HIS 369 Cb 0.89 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.85 1tqs h HIS 369 CO -0.00 0.00 -0.64 0.74 -3.07 0.00 0.00 177.93 174.96 1tqs h PHE 370 N 0.00 0.00 -6.19 6.12 0.05 -1.65 -3.48 116.94 111.79 1tqs h PHE 370 Ca 0.04 0.00 -0.44 0.00 3.82 0.00 0.00 57.97 61.39 1tqs h PHE 370 Cb 0.24 0.00 0.02 0.00 2.00 0.00 0.00 35.95 38.21 1tqs h PHE 370 CO 0.00 0.64 -0.82 0.09 -0.18 0.00 0.00 178.31 178.04 1tqs n ASN 371 N -3.50 -1.88 -4.08 2.17 3.02 -0.33 -4.88 115.26 105.78 1tqs n ASN 371 Ca -0.00 -0.84 -0.21 0.00 -0.03 0.00 0.00 54.58 53.50 1tqs n ASN 371 Cb 0.70 -3.88 -0.15 0.00 -0.61 0.00 0.00 39.78 35.84 1tqs n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tqs s VAL 372 N -3.62 0.99 -0.27 2.41 1.01 -1.26 -1.17 120.40 118.48 1tqs s VAL 372 Ca 0.16 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1tqs s VAL 372 Cb -0.08 -0.83 0.07 0.00 0.00 0.00 0.00 36.38 35.54 1tqs s VAL 372 CO 0.83 0.28 -0.08 -1.58 0.00 0.00 0.00 175.10 174.55 1tqs s GLN 373 N -0.28 2.10 -0.03 2.72 2.00 -0.43 -4.33 119.66 121.41 1tqs s GLN 373 Ca 0.05 -1.43 0.04 0.00 -2.00 0.00 0.00 55.36 52.01 1tqs s GLN 373 Cb -0.05 -2.94 -0.03 0.00 0.80 0.00 0.00 33.01 30.80 1tqs s GLN 373 CO -0.00 -0.63 -0.12 0.00 -0.50 0.00 0.00 175.29 174.03 1tqs s ALA 374 N 1.07 2.78 0.20 1.58 0.00 -1.26 -0.94 121.76 125.20 1tqs s ALA 374 Ca -0.06 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 1tqs s ALA 374 Cb -0.20 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 21.96 1tqs s ALA 374 CO -0.06 0.57 0.63 1.14 0.00 0.00 0.00 175.76 178.05 1tqs s GLN 375 N -1.00 1.44 0.42 0.00 0.00 -0.49 -4.90 119.66 115.14 1tqs s GLN 375 Ca 0.13 -0.67 -0.25 0.00 -0.00 0.00 0.00 55.36 54.58 1tqs s GLN 375 Cb -0.11 0.59 -0.08 0.00 0.00 0.00 0.00 33.01 33.41 1tqs s GLN 375 CO 0.03 -0.64 1.20 -0.06 0.00 0.00 0.00 175.29 175.82 1tqs s PHE 376 N -3.81 2.96 0.34 9.60 2.99 -1.26 -0.71 117.98 128.09 1tqs s PHE 376 Ca 0.05 1.52 -0.05 0.00 0.00 0.00 0.00 56.93 58.44 1tqs s PHE 376 Cb -0.02 -3.46 0.01 0.00 0.00 0.00 0.00 43.02 39.55 1tqs s PHE 376 CO -0.06 -1.55 0.52 0.20 -0.00 0.00 0.00 175.22 174.33 1tqs s GLY 377 N -1.09 1.23 0.45 4.36 0.00 0.10 -4.77 107.32 107.60 1tqs s GLY 377 Ca 0.58 -1.34 0.07 0.00 0.00 0.00 0.00 44.72 44.03 1tqs s GLY 377 CO 0.40 -0.86 0.35 -0.51 0.00 0.00 0.00 173.10 172.48 1tqs s THR 378 N -3.05 2.33 0.12 0.90 -4.23 -1.26 -4.23 115.64 106.23 1tqs s THR 378 Ca 0.27 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 59.18 1tqs s THR 378 Cb -0.01 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1tqs s THR 378 CO 0.18 0.00 1.62 0.25 -0.54 0.00 0.00 174.62 176.13 1tqs h LEU 379 N 1.02 0.59 -1.15 4.79 5.85 -1.95 -2.31 115.31 122.14 1tqs h LEU 379 Ca -0.40 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.04 1tqs h LEU 379 Cb 1.27 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1tqs h LEU 379 CO 0.60 0.67 0.12 -0.61 -0.34 0.00 0.00 178.44 178.88 1tqs h GLN 380 N 0.47 0.72 -0.74 1.25 5.75 -1.96 -1.85 115.11 118.76 1tqs h GLN 380 Ca 0.12 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1tqs h GLN 380 Cb 0.32 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1tqs h GLN 380 CO 0.00 0.65 0.39 0.93 -2.65 0.00 0.00 178.83 178.15 1tqs h GLU 381 N 0.70 1.05 0.12 1.69 5.08 -1.89 0.96 114.58 122.28 1tqs h GLU 381 Ca 0.16 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1tqs h GLU 381 Cb 0.25 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1tqs h GLU 381 CO -0.00 0.79 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.74 1tqs h TYR 382 N 1.03 -0.35 -0.60 4.33 3.20 -0.87 -2.12 116.97 121.58 1tqs h TYR 382 Ca 0.26 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 1tqs h TYR 382 Cb 0.06 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1tqs h TYR 382 CO 0.00 -0.21 0.02 0.74 -1.64 0.00 0.00 178.16 177.08 1tqs h PHE 383 N -0.29 1.11 -0.83 -3.82 0.05 -1.06 -0.64 116.94 111.46 1tqs h PHE 383 Ca 0.01 -0.18 0.05 0.00 3.82 0.00 0.00 57.97 61.67 1tqs h PHE 383 Cb 0.29 -0.29 -0.06 0.00 2.00 0.00 0.00 35.95 37.89 1tqs h PHE 383 CO -0.14 0.97 0.52 -0.44 -0.18 0.00 0.00 178.31 179.04 1tqs h ASP 384 N 0.95 0.83 -0.39 2.17 3.32 -0.75 -1.10 116.42 121.45 1tqs h ASP 384 Ca 0.17 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.10 1tqs h ASP 384 Cb 0.51 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1tqs h ASP 384 CO 0.02 0.55 -0.25 0.00 -1.72 0.00 0.00 179.24 177.85 1tqs h ALA 385 N 1.37 0.74 -0.49 3.45 0.00 -0.85 -0.92 119.26 122.56 1tqs h ALA 385 Ca 0.35 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1tqs h ALA 385 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1tqs h ALA 385 CO -0.15 0.66 0.31 0.28 0.00 0.00 0.00 179.25 180.36 1tqs h VAL 386 N 0.78 1.09 0.00 0.00 2.07 -0.75 -1.94 116.25 117.50 1tqs h VAL 386 Ca 0.10 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1tqs h VAL 386 Cb 0.81 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1tqs h VAL 386 CO 0.07 0.11 -0.49 0.45 0.02 0.00 0.00 177.57 177.74 1tqs h HIS 387 N 0.63 0.00 -0.68 1.57 -0.00 -1.02 -1.10 115.15 114.54 1tqs h HIS 387 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 1tqs h HIS 387 Cb -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 1tqs h HIS 387 CO -0.05 0.49 0.34 1.96 -0.00 0.00 0.00 177.93 180.67 1tqs h GLN 388 N 0.00 0.98 -0.49 2.45 4.20 -0.81 -0.17 115.11 121.27 1tqs h GLN 388 Ca -0.00 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 1tqs h GLN 388 Cb 0.92 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1tqs h GLN 388 CO 0.06 0.76 0.22 0.00 -0.67 0.00 0.00 178.83 179.20 1tqs h ALA 389 N 1.16 0.64 -0.28 3.87 0.00 -0.82 -1.52 119.26 122.32 1tqs h ALA 389 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tqs h ALA 389 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1tqs h ALA 389 CO -0.03 0.22 0.17 1.49 0.00 0.00 0.00 179.25 181.10 1tqs h GLU 390 N 0.65 0.37 0.00 0.00 4.81 -0.93 -0.96 114.58 118.52 1tqs h GLU 390 Ca 0.17 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1tqs h GLU 390 Cb 0.16 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1tqs h GLU 390 CO -0.02 0.27 -0.16 0.00 -0.73 0.00 0.00 179.01 178.38 1tqs h ARG 391 N 0.36 0.00 -0.00 1.92 3.08 -0.85 0.49 114.38 119.38 1tqs h ARG 391 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1tqs h ARG 391 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1tqs h ARG 391 CO -0.02 0.16 -0.00 0.00 -1.07 0.00 0.00 179.97 179.03 1tqs n ALA 392 N -2.27 2.67 -1.00 0.04 0.00 -0.59 -4.88 120.51 114.49 1tqs n ALA 392 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1tqs n ALA 392 Cb 0.29 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1tqs n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tqs n GLY 393 N 1.03 0.40 0.00 0.00 0.00 0.16 -4.94 105.19 101.84 1tqs n GLY 393 Ca 0.23 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1tqs n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tqs n GLN 394 N -3.00 0.01 -3.52 1.61 10.64 -0.42 -4.91 117.38 117.79 1tqs n GLN 394 Ca 0.00 -0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.01 1tqs n GLN 394 Cb 0.00 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 27.83 1tqs n GLN 394 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1tqs s ALA 395 N -3.00 -1.61 0.05 2.61 0.00 -1.26 -4.88 121.76 113.67 1tqs s ALA 395 Ca 0.12 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.12 1tqs s ALA 395 Cb 0.18 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1tqs s ALA 395 CO 0.67 -0.46 -0.13 -1.83 0.00 0.00 0.00 175.76 174.01 1tqs s GLU 396 N -1.85 0.80 0.05 0.00 -1.05 -1.26 -4.61 118.70 110.78 1tqs s GLU 396 Ca -0.08 -0.82 0.05 0.00 -0.15 0.00 0.00 54.97 53.97 1tqs s GLU 396 Cb -0.01 -0.78 -0.04 0.00 -0.44 0.00 0.00 34.13 32.87 1tqs s GLU 396 CO 0.04 0.18 -0.10 -0.06 0.95 0.00 0.00 175.26 176.27 1tqs s PHE 397 N -1.08 2.78 0.67 4.83 0.40 -1.26 -5.06 117.98 119.27 1tqs s PHE 397 Ca -0.02 -0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 1tqs s PHE 397 Cb -0.09 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 41.93 1tqs s PHE 397 CO 0.02 0.38 1.07 -1.25 0.70 0.00 0.00 175.22 176.13 1tqs s PRO 398 N -1.77 2.94 0.07 0.24 0.04 -1.26 -4.78 135.00 130.48 1tqs s PRO 398 Ca 0.19 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.31 1tqs s PRO 398 Cb -0.11 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1tqs s PRO 398 CO 0.10 -1.11 0.27 0.95 0.04 0.00 0.00 177.00 177.25 1tqs s THR 399 N -2.77 5.31 -0.05 1.26 -4.23 -1.26 -0.79 115.64 113.10 1tqs s THR 399 Ca 0.61 -0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1tqs s THR 399 Cb -0.16 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.09 1tqs s THR 399 CO 0.48 0.15 0.20 -0.22 -0.54 0.00 0.00 174.62 174.69 1tqs s LEU 400 N -2.41 1.27 0.09 4.79 0.20 -0.51 -1.33 118.68 120.79 1tqs s LEU 400 Ca 0.35 0.22 0.02 0.00 0.69 0.00 0.00 54.13 55.41 1tqs s LEU 400 Cb -0.13 0.75 -0.04 0.00 -0.43 0.00 0.00 46.19 46.34 1tqs s LEU 400 CO 0.24 -0.18 -0.06 -0.94 -0.29 0.00 0.00 176.35 175.12 1tqs s SER 401 N -0.41 1.07 0.00 3.68 1.04 -0.43 -1.08 113.70 117.56 1tqs s SER 401 Ca -0.05 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1tqs s SER 401 Cb -0.03 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1tqs s SER 401 CO 0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1tqs n GLY 402 N 0.09 0.39 3.61 7.32 0.00 -1.26 -1.17 105.19 114.17 1tqs n GLY 402 Ca -0.13 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.38 1tqs n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tqs s ASP 403 N -4.00 3.34 -0.43 1.61 -4.77 -1.26 -4.36 116.67 106.80 1tqs s ASP 403 Ca 0.00 -1.69 0.09 0.00 -3.30 0.00 0.00 52.55 47.65 1tqs s ASP 403 Cb 0.00 0.56 0.41 0.00 -1.09 0.00 0.00 42.92 42.80 1tqs s ASP 403 CO 0.00 -0.93 1.02 0.49 0.70 0.00 0.00 175.17 176.45 1tqs n PHE 404 N -1.06 2.73 -4.34 2.11 3.01 -0.12 -4.90 117.46 114.89 1tqs n PHE 404 Ca -0.11 -3.22 -0.26 0.00 1.01 0.00 0.00 57.45 54.87 1tqs n PHE 404 Cb 0.66 -0.24 -0.13 0.00 -0.01 0.00 0.00 39.48 39.76 1tqs n PHE 404 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1tqs s PHE 405 N -3.35 2.05 -0.12 1.38 0.40 -1.26 -2.69 117.98 114.40 1tqs s PHE 405 Ca 0.42 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.20 1tqs s PHE 405 Cb 0.39 -1.10 -0.05 0.00 0.51 0.00 0.00 43.02 42.78 1tqs s PHE 405 CO -0.12 0.30 0.37 0.99 0.70 0.00 0.00 175.22 177.46 1tqs s THR 406 N -1.23 5.22 0.35 0.64 2.01 -1.26 -5.10 115.64 116.28 1tqs s THR 406 Ca 0.11 0.73 -0.27 0.00 0.31 0.00 0.00 61.69 62.57 1tqs s THR 406 Cb -0.10 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 1tqs s THR 406 CO 0.06 0.40 1.24 -0.47 -0.69 0.00 0.00 174.62 175.17 1tqs s TYR 407 N 0.22 3.08 -0.03 4.92 5.04 -1.26 -4.79 117.35 124.54 1tqs s TYR 407 Ca 0.21 1.49 0.01 0.00 -2.44 0.00 0.00 57.07 56.34 1tqs s TYR 407 Cb -0.14 -3.56 0.01 0.00 0.35 0.00 0.00 41.96 38.62 1tqs s TYR 407 CO 0.08 -1.59 -0.06 0.00 -1.34 0.00 0.00 175.55 172.64 1tqs s ALA 408 N -1.23 0.67 -0.30 3.97 0.00 -1.26 -0.66 121.76 122.95 1tqs s ALA 408 Ca 0.52 -0.13 0.23 0.00 0.00 0.00 0.00 51.96 52.58 1tqs s ALA 408 Cb -0.36 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1tqs s ALA 408 CO 0.47 0.04 1.02 -0.40 0.00 0.00 0.00 175.76 176.90 1tqs n ASP 409 N 3.72 0.73 -3.56 0.00 5.75 -1.22 -2.67 116.55 119.29 1tqs n ASP 409 Ca -0.22 0.22 -0.10 0.00 -0.01 0.00 0.00 54.79 54.68 1tqs n ASP 409 Cb 0.53 0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 41.16 1tqs n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tqs s ARG 410 N -3.34 0.63 3.65 0.11 1.70 -1.26 -4.78 118.95 115.67 1tqs s ARG 410 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 1tqs s ARG 410 Cb 0.11 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1tqs s ARG 410 CO 0.79 -0.22 0.00 0.45 -1.08 0.00 0.00 175.30 175.25 1tqs n SER 411 N 0.54 0.00 -1.43 -2.89 2.88 -1.26 -0.85 113.62 110.60 1tqs n SER 411 Ca -0.10 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.50 1tqs n SER 411 Cb 0.59 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.36 1tqs n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1tqs n ASP 412 N 3.20 4.64 -4.51 -3.46 5.75 -1.26 -4.87 116.55 116.05 1tqs n ASP 412 Ca 0.00 -3.06 -0.43 0.00 -0.01 0.00 0.00 54.79 51.29 1tqs n ASP 412 Cb 0.00 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 39.45 1tqs n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1tqs s ASN 413 N -1.42 6.85 -0.03 -1.12 0.02 -0.03 -4.97 114.94 114.24 1tqs s ASN 413 Ca 0.49 -2.47 -0.21 0.00 -1.02 0.00 0.00 52.86 49.65 1tqs s ASN 413 Cb 0.39 -2.48 -0.05 0.00 0.02 0.00 0.00 41.25 39.13 1tqs s ASN 413 CO 0.12 -1.04 0.61 -0.31 0.02 0.00 0.00 177.10 176.50 1tqs s TYR 414 N 3.08 3.63 -1.33 2.20 1.51 -1.26 -3.39 117.35 121.79 1tqs s TYR 414 Ca 0.45 1.17 -0.06 0.00 -1.01 0.00 0.00 57.07 57.63 1tqs s TYR 414 Cb -0.00 -2.65 0.08 0.00 -0.11 0.00 0.00 41.96 39.27 1tqs s TYR 414 CO 0.00 0.26 2.52 0.91 -1.11 0.00 0.00 175.55 178.13 1tqs n TRP 415 N 3.11 2.50 0.98 2.71 7.02 0.17 -2.94 117.44 130.98 1tqs n TRP 415 Ca -0.05 -2.82 0.11 0.00 -1.02 0.00 0.00 57.50 53.71 1tqs n TRP 415 Cb 0.51 -1.93 -0.02 0.00 -2.42 0.00 0.00 31.31 27.45 1tqs n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1tqs n SER 416 N 2.03 1.91 -0.21 -0.99 3.41 -1.22 -4.39 113.62 114.16 1tqs n SER 416 Ca 0.65 -1.46 -0.06 0.00 -0.26 0.00 0.00 58.87 57.74 1tqs n SER 416 Cb 0.26 0.53 0.09 0.00 -0.26 0.00 0.00 64.21 64.83 1tqs n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1tqs h GLY 417 N 4.76 1.12 1.57 5.00 0.00 -1.29 -2.87 103.07 111.35 1tqs h GLY 417 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1tqs h GLY 417 CO 0.00 0.66 0.00 1.58 0.00 0.00 0.00 176.54 178.78 1tqs n TYR 418 N -4.23 0.00 0.35 5.60 0.18 -1.08 -1.43 117.16 116.55 1tqs n TYR 418 Ca 0.05 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.95 1tqs n TYR 418 Cb 0.27 -0.29 0.53 0.00 -0.38 0.00 0.00 39.34 39.47 1tqs n TYR 418 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 1tqs h TYR 419 N 0.00 0.00 0.00 -3.48 0.99 -1.78 -3.33 116.97 109.37 1tqs h TYR 419 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1tqs h TYR 419 Cb 0.17 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.90 1tqs h TYR 419 CO 0.00 0.00 -0.78 2.41 -0.00 0.00 0.00 178.16 179.79 1tqs n THR 420 N -2.31 0.00 -1.59 -2.88 -1.04 -0.52 -2.52 114.28 103.43 1tqs n THR 420 Ca 0.01 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.57 1tqs n THR 420 Cb 0.20 -0.28 -0.02 0.00 -1.82 0.00 0.00 70.33 68.41 1tqs n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1tqs n SER 421 N -1.45 1.36 -3.51 8.00 7.64 -0.88 -2.76 113.62 122.02 1tqs n SER 421 Ca 0.00 1.17 -0.24 0.00 1.01 0.00 0.00 58.87 60.81 1tqs n SER 421 Cb 0.22 -1.28 0.05 0.00 -1.01 0.00 0.00 64.21 62.20 1tqs n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1tqs n ARG 422 N 1.02 -2.04 0.26 1.43 3.00 -1.26 -4.07 116.66 115.00 1tqs n ARG 422 Ca 0.11 0.64 0.13 0.00 -0.01 0.00 0.00 57.85 58.72 1tqs n ARG 422 Cb 0.30 -4.92 0.69 0.00 0.00 0.00 0.00 32.46 28.54 1tqs n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1tqs h PRO 423 N -1.57 0.00 -0.64 5.56 0.13 -1.84 -2.32 132.00 131.32 1tqs h PRO 423 Ca -0.64 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.54 1tqs h PRO 423 Cb 1.34 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1tqs h PRO 423 CO 0.47 0.13 0.37 -0.92 -0.23 0.00 0.00 178.00 177.82 1tqs h TYR 424 N 0.00 0.68 0.00 1.56 3.20 -1.90 -1.39 116.97 119.12 1tqs h TYR 424 Ca -0.00 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.74 1tqs h TYR 424 Cb 0.43 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1tqs h TYR 424 CO 0.00 0.35 -0.70 0.45 -1.64 0.00 0.00 178.16 176.62 1tqs h HIS 425 N 0.70 0.00 -0.58 -3.82 3.86 -1.80 -1.02 115.15 112.49 1tqs h HIS 425 Ca 0.27 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1tqs h HIS 425 Cb 0.11 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1tqs h HIS 425 CO -0.07 0.70 0.31 0.87 0.86 0.00 0.00 177.93 180.60 1tqs h LYS 426 N 0.00 0.82 -0.45 2.45 1.57 -1.22 -0.67 116.57 119.07 1tqs h LYS 426 Ca -0.01 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1tqs h LYS 426 Cb 1.37 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1tqs h LYS 426 CO 0.09 0.63 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.48 1tqs h ARG 427 N 0.79 0.81 -0.94 3.15 9.65 -1.05 -3.05 114.38 123.74 1tqs h ARG 427 Ca 0.20 -0.27 0.09 0.00 -1.10 0.00 0.00 59.98 58.90 1tqs h ARG 427 Cb 0.06 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.50 1tqs h ARG 427 CO -0.03 0.89 0.60 1.98 2.80 0.00 0.00 179.97 186.21 1tqs h MET 428 N 0.65 0.96 -0.61 0.20 4.05 -0.97 -1.46 114.93 117.75 1tqs h MET 428 Ca 0.12 -0.06 0.12 0.00 -0.28 0.00 0.00 59.70 59.60 1tqs h MET 428 Cb 0.54 -0.22 -0.09 0.00 -0.80 0.00 0.00 31.60 31.04 1tqs h MET 428 CO 0.03 0.64 0.12 0.22 0.23 0.00 0.00 176.91 178.14 1tqs h ASP 429 N 0.99 -0.03 0.37 1.39 1.82 -1.01 -0.17 116.42 119.79 1tqs h ASP 429 Ca 0.43 0.12 -0.14 0.00 -0.39 0.00 0.00 57.03 57.05 1tqs h ASP 429 Cb 0.33 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1tqs h ASP 429 CO -0.18 -0.01 -0.58 0.03 -1.61 0.00 0.00 179.24 176.89 1tqs h ARG 430 N 0.24 0.21 -0.03 0.28 2.47 -1.29 0.20 114.38 116.47 1tqs h ARG 430 Ca 0.32 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1tqs h ARG 430 Cb 0.49 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1tqs h ARG 430 CO -0.42 0.73 0.00 0.28 0.56 0.00 0.00 179.97 181.12 1tqs h VAL 431 N 0.16 1.24 -0.28 2.04 2.07 -0.88 -2.71 116.25 117.89 1tqs h VAL 431 Ca -0.00 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1tqs h VAL 431 Cb 1.06 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1tqs h VAL 431 CO 0.09 0.19 -0.18 0.25 0.02 0.00 0.00 177.57 177.93 1tqs h LEU 432 N -0.24 0.50 -0.42 2.57 5.85 -0.95 -1.37 115.31 121.25 1tqs h LEU 432 Ca 0.01 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1tqs h LEU 432 Cb 0.31 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 1tqs h LEU 432 CO 0.00 0.70 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.70 1tqs h MET 433 N 0.46 0.03 -0.37 1.25 4.05 -0.86 0.21 114.93 119.70 1tqs h MET 433 Ca 0.08 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.38 1tqs h MET 433 Cb 0.58 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1tqs h MET 433 CO 0.04 0.02 -0.21 1.25 0.23 0.00 0.00 176.91 178.24 1tqs h HIS 434 N 0.03 0.93 0.00 1.39 -0.00 -1.11 -2.47 115.15 113.92 1tqs h HIS 434 Ca 0.21 -0.24 -0.07 0.00 -0.00 0.00 0.00 60.37 60.27 1tqs h HIS 434 Cb 0.31 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 1tqs h HIS 434 CO -0.34 0.99 -0.34 1.88 -0.00 0.00 0.00 177.93 180.13 1tqs h TYR 435 N 0.59 0.00 -0.23 5.26 -1.99 -0.79 0.50 116.97 120.32 1tqs h TYR 435 Ca 0.08 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 1tqs h TYR 435 Cb 0.77 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 1tqs h TYR 435 CO 0.06 0.34 -0.03 0.28 -0.00 0.00 0.00 178.16 178.80 1tqs h VAL 436 N 0.00 1.28 -0.34 -2.88 2.07 -0.94 0.49 116.25 115.93 1tqs h VAL 436 Ca -0.00 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.54 1tqs h VAL 436 Cb 0.77 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1tqs h VAL 436 CO 0.04 0.31 0.20 -0.09 0.02 0.00 0.00 177.57 178.05 1tqs h ARG 437 N 0.17 0.39 -0.65 1.57 2.43 -1.05 -0.69 114.38 116.55 1tqs h ARG 437 Ca 0.06 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1tqs h ARG 437 Cb 0.47 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1tqs h ARG 437 CO 0.02 0.26 0.07 0.00 -1.51 0.00 0.00 179.97 178.81 1tqs h ALA 438 N 1.15 0.89 -0.38 2.80 0.00 -0.77 -0.72 119.26 122.23 1tqs h ALA 438 Ca 0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1tqs h ALA 438 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1tqs h ALA 438 CO -0.06 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.87 1tqs h ALA 439 N 1.04 0.51 -0.66 0.00 0.00 -0.67 0.26 119.26 119.74 1tqs h ALA 439 Ca 0.19 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1tqs h ALA 439 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1tqs h ALA 439 CO 0.02 0.27 0.14 0.93 0.00 0.00 0.00 179.25 180.61 1tqs h GLU 440 N 0.49 1.08 -0.04 0.00 5.08 -1.03 -2.28 114.58 117.88 1tqs h GLU 440 Ca 0.11 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1tqs h GLU 440 Cb 0.45 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1tqs h GLU 440 CO 0.02 0.98 -0.04 1.98 -1.00 0.00 0.00 179.01 180.94 1tqs h MET 441 N 1.00 0.10 -0.69 2.33 4.05 -1.01 -2.06 114.93 118.66 1tqs h MET 441 Ca 0.21 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1tqs h MET 441 Cb 0.40 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 1tqs h MET 441 CO 0.01 0.55 0.39 -0.07 0.23 0.00 0.00 176.91 178.02 1tqs h LEU 442 N -0.34 0.83 0.00 3.39 3.38 -0.97 -2.38 115.31 119.22 1tqs h LEU 442 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1tqs h LEU 442 Cb 0.53 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1tqs h LEU 442 CO 0.01 0.66 -0.37 -1.54 0.09 0.00 0.00 178.44 177.29 1tqs n SER 443 N -4.38 0.69 0.22 -0.43 3.41 -0.86 -3.83 113.62 108.44 1tqs n SER 443 Ca 0.07 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 1tqs n SER 443 Cb 0.08 -0.20 0.51 0.00 -0.26 0.00 0.00 64.21 64.34 1tqs n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tqs h ALA 444 N 2.57 1.22 0.00 7.33 0.00 -0.81 -3.17 119.26 126.41 1tqs h ALA 444 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1tqs h ALA 444 Cb 0.71 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1tqs h ALA 444 CO 0.00 0.32 -0.03 -1.49 0.00 0.00 0.00 179.25 178.05 1tqs h TRP 445 N 0.00 0.00 -2.39 0.00 4.06 -1.66 -3.44 115.95 112.52 1tqs h TRP 445 Ca -0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 1tqs h TRP 445 Cb 0.59 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.61 1tqs h TRP 445 CO 0.00 0.03 -0.71 -1.01 -3.56 0.00 0.00 178.44 173.19 1tqs s HIS 446 N -4.69 2.11 -0.01 0.49 3.76 -1.20 -5.09 115.29 110.66 1tqs s HIS 446 Ca -0.05 -0.52 -0.18 0.00 -0.15 0.00 0.00 55.06 54.16 1tqs s HIS 446 Cb 0.15 -1.09 -0.06 0.00 1.11 0.00 0.00 32.58 32.70 1tqs s HIS 446 CO 0.59 0.49 0.51 0.45 -0.85 0.00 0.00 174.74 175.93 1tqs s SER 447 N -3.48 6.89 -0.04 1.40 0.15 -1.26 -5.00 113.70 112.36 1tqs s SER 447 Ca 0.29 1.05 0.06 0.00 0.70 0.00 0.00 55.95 58.05 1tqs s SER 447 Cb 0.00 -2.31 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1tqs s SER 447 CO 0.13 0.19 -0.20 0.26 1.20 0.00 0.00 173.24 174.82 1tqs s TRP 448 N -0.49 2.53 0.57 3.44 0.52 -1.26 -5.04 118.94 119.22 1tqs s TRP 448 Ca 0.27 -0.31 -0.20 0.00 0.02 0.00 0.00 56.10 55.88 1tqs s TRP 448 Cb -0.17 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 1tqs s TRP 448 CO 0.15 0.07 1.31 0.34 0.02 0.00 0.00 176.95 178.84 1tqs s ASP 449 N -0.64 5.13 0.52 2.95 -1.08 -1.26 -4.32 116.67 117.97 1tqs s ASP 449 Ca 0.10 2.66 0.22 0.00 -0.52 0.00 0.00 52.55 55.01 1tqs s ASP 449 Cb -0.11 -2.63 1.34 0.00 -1.46 0.00 0.00 42.92 40.07 1tqs s ASP 449 CO 0.00 -1.65 2.03 1.23 0.52 0.00 0.00 175.17 177.30 1tqs h GLY 450 N 1.19 0.04 2.00 2.66 0.00 -2.01 -1.37 103.07 105.58 1tqs h GLY 450 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1tqs h GLY 450 CO 0.56 0.01 0.00 -0.33 0.00 0.00 0.00 176.54 176.78 1tqs h MET 451 N 0.03 0.00 0.00 4.80 2.86 -2.05 -1.76 114.93 118.81 1tqs h MET 451 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1tqs h MET 451 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1tqs h MET 451 CO -0.01 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.96 1tqs n ALA 452 N -1.92 2.13 -2.35 6.32 0.00 -0.52 -4.90 120.51 119.27 1tqs n ALA 452 Ca -0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1tqs n ALA 452 Cb 0.15 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 1tqs n ALA 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1tqs n ARG 453 N -2.13 -1.75 -0.02 0.00 1.74 -0.66 -4.89 116.66 108.94 1tqs n ARG 453 Ca 0.05 0.96 -0.13 0.00 -0.77 0.00 0.00 57.85 57.96 1tqs n ARG 453 Cb 0.36 -5.60 -0.10 0.00 -1.02 0.00 0.00 32.46 26.11 1tqs n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1tqs h ILE 454 N 0.00 1.40 -0.80 0.55 1.08 -1.85 -2.08 117.51 115.82 1tqs h ILE 454 Ca -0.46 -1.19 -0.02 0.00 -0.39 0.00 0.00 64.86 62.81 1tqs h ILE 454 Cb 1.34 2.20 -0.04 0.00 -3.07 0.00 0.00 36.82 37.25 1tqs h ILE 454 CO 0.55 0.31 0.43 -0.33 -0.69 0.00 0.00 178.15 178.42 1tqs h GLU 455 N -0.49 1.12 -0.18 2.37 3.07 -1.94 -0.85 114.58 117.68 1tqs h GLU 455 Ca 0.00 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1tqs h GLU 455 Cb 0.51 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1tqs h GLU 455 CO 0.00 0.83 0.11 1.49 -1.40 0.00 0.00 179.01 180.04 1tqs h GLU 456 N 1.13 0.25 -0.40 2.33 4.81 -1.95 -0.09 114.58 120.66 1tqs h GLU 456 Ca 0.28 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 1tqs h GLU 456 Cb 0.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1tqs h GLU 456 CO -0.04 0.22 -0.27 0.00 -0.73 0.00 0.00 179.01 178.18 1tqs h ARG 457 N 0.21 0.85 -0.29 1.92 -0.00 -0.93 -2.04 114.38 114.09 1tqs h ARG 457 Ca 0.07 -0.38 -0.12 0.00 -0.50 0.00 0.00 59.98 59.04 1tqs h ARG 457 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 1tqs h ARG 457 CO -0.01 1.02 -0.33 -0.07 0.00 0.00 0.00 179.97 180.57 1tqs h LEU 458 N 0.72 0.65 -0.62 3.04 3.38 -1.05 -1.14 115.31 120.29 1tqs h LEU 458 Ca 0.09 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1tqs h LEU 458 Cb 0.82 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1tqs h LEU 458 CO 0.07 0.93 -0.01 -0.08 0.09 0.00 0.00 178.44 179.44 1tqs h GLU 459 N 0.53 1.07 -0.32 1.13 4.81 -0.84 0.08 114.58 121.03 1tqs h GLU 459 Ca 0.06 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1tqs h GLU 459 Cb 0.83 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1tqs h GLU 459 CO 0.07 1.05 0.20 0.37 -0.73 0.00 0.00 179.01 179.97 1tqs h GLN 460 N 0.98 0.44 -0.37 1.92 4.15 -1.15 -0.94 115.11 120.13 1tqs h GLN 460 Ca 0.17 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1tqs h GLN 460 Cb 0.57 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1tqs h GLN 460 CO 0.03 0.33 0.12 0.00 -1.93 0.00 0.00 178.83 177.39 1tqs h ALA 461 N 1.08 0.49 -0.98 3.38 0.00 -0.89 -1.34 119.26 121.00 1tqs h ALA 461 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tqs h ALA 461 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1tqs h ALA 461 CO -0.02 0.12 0.63 0.00 0.00 0.00 0.00 179.25 179.97 1tqs h ARG 462 N 0.45 1.31 -0.07 0.00 3.08 -0.85 -1.98 114.38 116.32 1tqs h ARG 462 Ca 0.12 -0.10 -0.20 0.00 0.07 0.00 0.00 59.98 59.88 1tqs h ARG 462 Cb 0.24 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1tqs h ARG 462 CO -0.01 0.88 -0.79 0.00 -1.07 0.00 0.00 179.97 178.99 1tqs h ARG 463 N 1.34 0.44 -0.36 0.04 3.08 -0.79 0.27 114.38 118.41 1tqs h ARG 463 Ca 0.36 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1tqs h ARG 463 Cb -0.12 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1tqs h ARG 463 CO -0.07 1.03 -0.31 0.93 -1.07 0.00 0.00 179.97 180.48 1tqs h GLU 464 N 0.29 0.84 -0.56 0.04 4.39 -1.12 -0.28 114.58 118.18 1tqs h GLU 464 Ca -0.04 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 59.14 1tqs h GLU 464 Cb 1.38 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.02 1tqs h GLU 464 CO 0.14 1.06 -0.02 1.25 -1.16 0.00 0.00 179.01 180.28 1tqs h LEU 465 N 0.63 0.99 -0.66 1.33 5.85 -1.33 -2.70 115.31 119.42 1tqs h LEU 465 Ca 0.06 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1tqs h LEU 465 Cb 0.89 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1tqs h LEU 465 CO 0.08 1.07 0.41 0.28 -0.34 0.00 0.00 178.44 179.94 1tqs h SER 466 N 0.89 0.78 -0.91 1.25 0.02 -0.82 -2.49 113.55 112.29 1tqs h SER 466 Ca 0.16 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1tqs h SER 466 Cb 0.58 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1tqs h SER 466 CO 0.03 0.60 0.57 0.25 -1.14 0.00 0.00 176.83 177.15 1tqs h LEU 467 N 0.90 0.90 -1.07 5.07 5.85 -0.92 -1.97 115.31 124.07 1tqs h LEU 467 Ca 0.24 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1tqs h LEU 467 Cb -0.05 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1tqs h LEU 467 CO -0.05 0.58 0.00 0.15 -0.34 0.00 0.00 178.44 178.78 1tqs h PHE 468 N 1.04 0.00 0.00 1.25 3.57 -1.12 -1.87 116.94 119.81 1tqs h PHE 468 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 1tqs h PHE 468 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1tqs h PHE 468 CO -0.02 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.10 1tqs n GLN 469 N -2.47 0.14 -1.45 1.11 1.13 -0.74 -1.00 117.38 114.10 1tqs n GLN 469 Ca 0.01 0.39 -0.39 0.00 -1.94 0.00 0.00 57.00 55.07 1tqs n GLN 469 Cb 0.21 -1.77 0.03 0.00 0.11 0.00 0.00 30.24 28.82 1tqs n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1tqs n HIS 470 N -2.03 -0.80 1.36 1.08 -0.00 -0.71 -0.69 115.22 113.43 1tqs n HIS 470 Ca 0.02 0.48 0.04 0.00 -0.00 0.00 0.00 57.72 58.27 1tqs n HIS 470 Cb 0.20 -1.95 0.24 0.00 -0.00 0.00 0.00 29.99 28.48 1tqs n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1tqs n HIS 471 N -1.43 0.00 -0.01 1.57 1.44 -1.19 -0.67 115.22 114.92 1tqs n HIS 471 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1tqs n HIS 471 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 1tqs n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1tqs n ASP 472 N -0.69 1.95 0.00 4.39 8.00 -1.26 -4.65 116.55 124.29 1tqs n ASP 472 Ca 0.06 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.60 1tqs n ASP 472 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1tqs n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tqs n GLY 473 N -0.48 0.22 0.31 0.44 0.00 0.15 -3.42 105.19 102.41 1tqs n GLY 473 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1tqs n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tqs h ILE 474 N 0.00 0.41 0.00 -0.61 2.10 -1.05 -0.53 117.51 117.83 1tqs h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1tqs h ILE 474 Cb 0.00 0.96 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1tqs h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 1tqs h THR 475 N 0.00 0.00 -1.05 2.19 1.35 -1.83 -3.43 112.91 110.14 1tqs h THR 475 Ca 0.02 -0.31 -0.16 0.00 -0.55 0.00 0.00 66.41 65.41 1tqs h THR 475 Cb 0.10 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 1tqs h THR 475 CO -0.00 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 175.68 1tqs n GLY 476 N -0.27 0.17 0.80 5.82 0.00 -0.21 -4.43 105.19 107.07 1tqs n GLY 476 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.53 1tqs n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tqs n THR 477 N -3.84 2.27 -3.55 2.61 -2.24 -1.25 -4.57 114.28 103.71 1tqs n THR 477 Ca -0.09 -2.09 -0.20 0.00 -2.27 0.00 0.00 64.05 59.40 1tqs n THR 477 Cb 0.53 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1tqs n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tqs s ALA 478 N -2.91 4.12 0.79 6.98 0.00 -1.22 -4.89 121.76 124.63 1tqs s ALA 478 Ca 0.41 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 1tqs s ALA 478 Cb 0.34 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 22.08 1tqs s ALA 478 CO 0.06 -0.06 1.13 0.15 0.00 0.00 0.00 175.76 177.05 1tqs s LYS 479 N -4.13 1.95 0.21 0.00 1.02 -0.37 -4.71 119.74 113.71 1tqs s LYS 479 Ca 0.45 1.42 -0.10 0.00 0.02 0.00 0.00 55.97 57.76 1tqs s LYS 479 Cb -0.08 -1.84 0.29 0.00 -0.52 0.00 0.00 37.83 35.68 1tqs s LYS 479 CO 0.30 -1.91 1.69 1.15 -0.92 0.00 0.00 175.35 175.65 1tqs h THR 480 N -1.02 0.59 0.00 2.17 2.02 -1.94 -0.00 112.91 114.73 1tqs h THR 480 Ca -0.45 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1tqs h THR 480 Cb 1.26 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1tqs h THR 480 CO 0.49 0.04 -0.07 1.12 0.37 0.00 0.00 175.52 177.47 1tqs h HIS 481 N 0.20 0.00 0.06 3.16 2.07 -1.96 -1.49 115.15 117.19 1tqs h HIS 481 Ca 0.31 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.61 1tqs h HIS 481 Cb 0.48 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.48 1tqs h HIS 481 CO -0.29 0.07 -0.92 0.28 -3.07 0.00 0.00 177.93 173.99 1tqs h VAL 482 N 0.00 1.36 -0.90 6.12 2.07 -1.37 -2.26 116.25 121.27 1tqs h VAL 482 Ca -0.00 -2.30 0.08 0.00 0.82 0.00 0.00 66.70 65.30 1tqs h VAL 482 Cb 0.54 2.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.92 1tqs h VAL 482 CO 0.01 0.68 0.55 0.58 0.02 0.00 0.00 177.57 179.42 1tqs h VAL 483 N 0.07 0.99 -0.75 2.57 2.07 -0.80 -0.78 116.25 119.63 1tqs h VAL 483 Ca -0.13 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1tqs h VAL 483 Cb 1.63 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1tqs h VAL 483 CO 0.18 0.18 0.36 0.58 0.02 0.00 0.00 177.57 178.89 1tqs h VAL 484 N 0.96 1.24 -0.41 2.57 2.07 -1.22 -0.21 116.25 121.25 1tqs h VAL 484 Ca 0.41 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1tqs h VAL 484 Cb 0.28 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1tqs h VAL 484 CO -0.21 0.29 0.25 -0.78 0.02 0.00 0.00 177.57 177.13 1tqs h ASP 485 N 1.06 0.50 -0.86 0.57 1.82 -0.72 -0.23 116.42 118.56 1tqs h ASP 485 Ca 0.26 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1tqs h ASP 485 Cb 0.12 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 39.96 1tqs h ASP 485 CO -0.03 0.41 0.53 1.88 -1.61 0.00 0.00 179.24 180.42 1tqs h TYR 486 N 0.54 1.12 -0.45 0.28 0.99 -0.75 -1.15 116.97 117.55 1tqs h TYR 486 Ca 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.86 1tqs h TYR 486 Cb 0.01 -0.37 -0.02 0.00 1.00 0.00 0.00 36.73 37.34 1tqs h TYR 486 CO -0.03 0.74 0.21 1.49 -0.00 0.00 0.00 178.16 180.57 1tqs h GLU 487 N 1.18 0.65 -0.67 4.88 4.81 -0.59 -0.70 114.58 124.15 1tqs h GLU 487 Ca 0.31 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1tqs h GLU 487 Cb -0.06 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1tqs h GLU 487 CO -0.06 0.57 0.27 1.96 -0.73 0.00 0.00 179.01 181.01 1tqs h GLN 488 N 0.59 1.01 -0.58 1.92 4.20 -0.80 0.85 115.11 122.28 1tqs h GLN 488 Ca 0.15 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1tqs h GLN 488 Cb 0.13 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1tqs h GLN 488 CO -0.02 0.84 0.26 0.00 -0.67 0.00 0.00 178.83 179.25 1tqs h ARG 489 N 0.95 0.85 -0.15 1.46 3.08 -1.00 -1.73 114.38 117.86 1tqs h ARG 489 Ca 0.22 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1tqs h ARG 489 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1tqs h ARG 489 CO -0.02 0.71 -0.36 0.52 -1.07 0.00 0.00 179.97 179.75 1tqs h MET 490 N 0.80 0.31 -0.64 0.04 2.86 -0.70 -0.88 114.93 116.72 1tqs h MET 490 Ca 0.20 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1tqs h MET 490 Cb 0.15 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1tqs h MET 490 CO -0.02 0.63 0.17 0.37 1.06 0.00 0.00 176.91 179.11 1tqs h GLN 491 N 0.26 1.02 -0.71 1.72 5.75 -0.53 0.45 115.11 123.07 1tqs h GLN 491 Ca 0.03 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.23 1tqs h GLN 491 Cb 0.76 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1tqs h GLN 491 CO 0.06 0.91 0.20 0.93 -2.65 0.00 0.00 178.83 178.29 1tqs h GLU 492 N 0.94 1.11 -0.65 1.69 4.39 -1.04 -1.73 114.58 119.29 1tqs h GLU 492 Ca 0.20 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1tqs h GLU 492 Cb 0.35 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1tqs h GLU 492 CO 0.00 0.95 0.25 0.00 -1.16 0.00 0.00 179.01 179.06 1tqs h ALA 493 N 1.16 0.85 -0.80 3.43 0.00 -0.66 -1.01 119.26 122.23 1tqs h ALA 493 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1tqs h ALA 493 Cb 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1tqs h ALA 493 CO -0.00 0.47 0.50 -0.07 0.00 0.00 0.00 179.25 180.15 1tqs h LEU 494 N 0.92 0.94 -0.89 0.00 3.38 -0.58 -0.80 115.31 118.29 1tqs h LEU 494 Ca 0.22 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1tqs h LEU 494 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1tqs h LEU 494 CO -0.02 0.72 0.09 0.11 0.09 0.00 0.00 178.44 179.43 1tqs h LYS 495 N 1.09 0.91 -0.42 1.13 1.57 -1.03 -0.32 116.57 119.51 1tqs h LYS 495 Ca 0.29 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1tqs h LYS 495 Cb -0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1tqs h LYS 495 CO -0.06 0.85 0.15 0.00 -0.57 0.00 0.00 179.45 179.82 1tqs h ALA 496 N 1.23 0.55 -0.62 3.86 0.00 -0.76 -1.44 119.26 122.08 1tqs h ALA 496 Ca 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1tqs h ALA 496 Cb 0.38 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1tqs h ALA 496 CO 0.01 0.17 0.32 0.00 0.00 0.00 0.00 179.25 179.75 1tqs h GLN 498 N 0.85 0.51 -0.20 0.00 4.15 -0.83 0.52 115.11 120.11 1tqs h GLN 498 Ca 0.22 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.62 1tqs h GLN 498 Cb 0.09 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1tqs h GLN 498 CO -0.03 0.34 0.08 1.98 -1.93 0.00 0.00 178.83 179.27 1tqs h MET 499 N 0.53 0.18 -0.40 1.69 4.05 -0.94 -0.14 114.93 119.90 1tqs h MET 499 Ca 0.20 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1tqs h MET 499 Cb 0.06 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1tqs h MET 499 CO -0.11 0.12 0.12 0.28 0.23 0.00 0.00 176.91 177.55 1tqs h VAL 500 N 0.18 1.22 -0.32 -5.77 2.07 -1.09 -1.80 116.25 110.74 1tqs h VAL 500 Ca 0.08 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1tqs h VAL 500 Cb 0.04 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1tqs h VAL 500 CO -0.07 0.25 0.20 0.24 0.02 0.00 0.00 177.57 178.21 1tqs h MET 501 N 0.49 0.42 -0.13 1.57 2.07 -0.67 -1.53 114.93 117.16 1tqs h MET 501 Ca 0.13 -0.03 -0.16 0.00 -2.07 0.00 0.00 59.70 57.56 1tqs h MET 501 Cb 0.26 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 1tqs h MET 501 CO -0.00 0.30 -0.61 -0.56 1.07 0.00 0.00 176.91 177.11 1tqs h GLN 502 N 0.42 0.43 -0.89 1.72 -0.00 -0.91 -0.48 115.11 115.40 1tqs h GLN 502 Ca 0.11 -0.30 -0.02 0.00 -0.00 0.00 0.00 58.65 58.44 1tqs h GLN 502 Cb -0.02 0.04 -0.04 0.00 -0.00 0.00 0.00 27.48 27.46 1tqs h GLN 502 CO -0.02 0.91 0.47 1.96 -0.00 0.00 0.00 178.83 182.14 1tqs h GLN 503 N 0.32 1.25 -0.43 0.06 1.08 -1.25 -2.00 115.11 114.13 1tqs h GLN 503 Ca -0.01 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 1tqs h GLN 503 Cb 1.15 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1tqs h GLN 503 CO 0.11 0.92 -0.08 0.77 -0.95 0.00 0.00 178.83 179.60 1tqs h SER 504 N 1.25 0.82 -0.43 1.46 0.02 -0.81 -2.21 113.55 113.64 1tqs h SER 504 Ca 0.31 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1tqs h SER 504 Cb 0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1tqs h SER 504 CO -0.05 0.98 0.24 0.58 -1.14 0.00 0.00 176.83 177.45 1tqs h VAL 505 N 0.65 1.15 -0.77 2.27 2.07 -0.95 0.45 116.25 121.12 1tqs h VAL 505 Ca 0.11 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1tqs h VAL 505 Cb 0.61 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1tqs h VAL 505 CO 0.04 0.15 0.49 0.22 0.02 0.00 0.00 177.57 178.49 1tqs h TYR 506 N 0.56 0.92 -0.26 1.57 3.20 -1.25 -1.59 116.97 120.11 1tqs h TYR 506 Ca 0.15 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 1tqs h TYR 506 Cb 0.03 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 1tqs h TYR 506 CO -0.03 0.52 -0.46 -0.09 -1.64 0.00 0.00 178.16 176.46 1tqs h ARG 507 N 0.95 0.68 0.00 1.82 2.43 -0.97 -2.75 114.38 116.54 1tqs h ARG 507 Ca 0.31 -0.38 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1tqs h ARG 507 Cb 0.03 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1tqs h ARG 507 CO -0.12 1.00 -0.13 -0.07 -1.51 0.00 0.00 179.97 179.14 1tqs h LEU 508 N 0.54 0.00 -3.02 3.80 3.38 -0.53 -3.30 115.31 116.19 1tqs h LEU 508 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1tqs h LEU 508 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1tqs h LEU 508 CO 0.10 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.93 1tqs n LEU 509 N -3.21 2.44 -4.34 1.67 4.77 -0.63 -4.87 117.00 112.83 1tqs n LEU 509 Ca 0.01 -2.78 -0.31 0.00 -0.03 0.00 0.00 56.01 52.90 1tqs n LEU 509 Cb 0.44 -0.33 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 1tqs n LEU 509 CO 0.32 0.66 -0.54 -0.89 -1.33 0.00 0.00 177.39 175.60 1tqs s THR 510 N -2.35 2.26 0.13 -5.08 2.01 -1.04 -0.51 115.64 111.06 1tqs s THR 510 Ca 0.25 -1.02 -0.35 0.00 0.31 0.00 0.00 61.69 60.88 1tqs s THR 510 Cb 0.21 -1.81 -0.15 0.00 0.01 0.00 0.00 72.50 70.76 1tqs s THR 510 CO 0.03 0.58 1.42 1.17 -0.69 0.00 0.00 174.62 177.13 1tqs n LYS 511 N 2.47 1.60 -0.10 4.92 4.81 -0.38 -4.72 118.16 126.76 1tqs n LYS 511 Ca -0.16 0.58 0.08 0.00 -0.87 0.00 0.00 58.31 57.94 1tqs n LYS 511 Cb 0.51 -2.26 0.44 0.00 0.02 0.00 0.00 35.03 33.75 1tqs n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1tqs h PRO 512 N 4.94 0.53 0.00 1.64 0.11 -1.92 -0.41 132.00 136.89 1tqs h PRO 512 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1tqs h PRO 512 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1tqs h PRO 512 CO 0.81 0.35 0.00 -1.13 -0.21 0.00 0.00 178.00 177.82 1tqs n SER 513 N -4.48 0.00 -0.07 -2.05 3.41 -1.26 -3.11 113.62 106.06 1tqs n SER 513 Ca 0.09 -0.12 -0.07 0.00 -0.26 0.00 0.00 58.87 58.51 1tqs n SER 513 Cb 0.26 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.83 1tqs n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1tqs n ILE 514 N -1.27 0.98 -1.70 -1.33 5.41 -0.27 -5.00 119.36 116.19 1tqs n ILE 514 Ca 0.13 -0.59 -0.56 0.00 1.00 0.00 0.00 62.75 62.73 1tqs n ILE 514 Cb 0.20 -0.65 -0.07 0.00 -0.71 0.00 0.00 39.64 38.41 1tqs n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1tqs n TYR 515 N -2.55 2.06 -3.41 1.39 9.36 -0.59 -4.92 117.16 118.50 1tqs n TYR 515 Ca -0.24 0.46 -0.27 0.00 3.32 0.00 0.00 57.90 61.17 1tqs n TYR 515 Cb 0.96 -2.48 -0.10 0.00 -0.63 0.00 0.00 39.34 37.08 1tqs n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1tqs s SER 516 N 3.36 1.51 0.31 2.98 0.15 -1.26 -5.04 113.70 115.72 1tqs s SER 516 Ca 0.96 -3.09 -0.27 0.00 0.70 0.00 0.00 55.95 54.25 1tqs s SER 516 Cb -1.00 -0.47 -0.09 0.00 -1.71 0.00 0.00 66.02 62.75 1tqs s SER 516 CO 0.62 -0.17 0.99 -2.16 1.20 0.00 0.00 173.24 173.72 1tqs s PRO 517 N 0.01 4.57 -0.26 5.44 0.04 -1.26 -5.02 135.00 138.53 1tqs s PRO 517 Ca 0.33 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 1tqs s PRO 517 Cb 0.04 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1tqs s PRO 517 CO -0.20 0.24 -0.04 0.34 0.04 0.00 0.00 177.00 177.38 1tqs s ASP 518 N -1.41 4.47 0.00 6.66 -1.08 -1.26 -5.01 116.67 119.05 1tqs s ASP 518 Ca 0.49 -0.96 0.16 0.00 -0.52 0.00 0.00 52.55 51.72 1tqs s ASP 518 Cb -0.23 -1.68 0.85 0.00 -1.46 0.00 0.00 42.92 40.41 1tqs s ASP 518 CO 0.29 -0.16 1.44 0.49 0.52 0.00 0.00 175.17 177.74 1tqs n PHE 519 N 4.66 0.00 0.79 -5.34 3.72 -1.26 -1.56 117.46 118.46 1tqs n PHE 519 Ca -0.16 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.33 1tqs n PHE 519 Cb 0.46 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 1tqs n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1tqs n SER 520 N -1.20 1.51 -4.86 4.37 3.41 -1.26 -4.99 113.62 110.59 1tqs n SER 520 Ca 0.09 -1.25 -0.32 0.00 -0.26 0.00 0.00 58.87 57.12 1tqs n SER 520 Cb 0.11 0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1tqs n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1tqs s PHE 521 N -2.17 3.40 -0.67 7.33 5.36 -0.60 -5.04 117.98 125.58 1tqs s PHE 521 Ca 0.13 1.07 -0.15 0.00 -0.96 0.00 0.00 56.93 57.02 1tqs s PHE 521 Cb 0.14 -2.42 0.17 0.00 -0.34 0.00 0.00 43.02 40.57 1tqs s PHE 521 CO 0.50 0.17 0.63 -1.12 -1.46 0.00 0.00 175.22 173.95 1tqs s SER 522 N -2.30 6.45 0.25 6.13 0.01 -1.26 -4.89 113.70 118.09 1tqs s SER 522 Ca 0.51 -2.18 0.06 0.00 1.31 0.00 0.00 55.95 55.65 1tqs s SER 522 Cb -0.11 -2.21 0.30 0.00 0.21 0.00 0.00 66.02 64.20 1tqs s SER 522 CO 0.19 -0.74 1.59 1.88 0.41 0.00 0.00 173.24 176.56 1tqs h TYR 523 N 8.41 0.24 -3.96 2.43 -1.99 -1.94 -3.42 116.97 116.73 1tqs h TYR 523 Ca -0.12 -0.09 -0.16 0.00 2.00 0.00 0.00 58.73 60.36 1tqs h TYR 523 Cb 1.07 -0.04 -0.20 0.00 2.00 0.00 0.00 36.73 39.56 1tqs h TYR 523 CO 0.87 0.73 -0.67 -0.06 -0.00 0.00 0.00 178.16 179.03 1tqs s PHE 524 N -3.77 0.27 -0.02 4.88 0.40 -1.26 -0.66 117.98 117.81 1tqs s PHE 524 Ca -0.03 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1tqs s PHE 524 Cb 0.12 -0.20 -0.03 0.00 0.51 0.00 0.00 43.02 43.43 1tqs s PHE 524 CO 0.79 -0.23 -0.14 0.95 0.70 0.00 0.00 175.22 177.29 1tqs s THR 525 N -1.77 3.08 0.40 0.64 -4.23 -0.57 -4.86 115.64 108.32 1tqs s THR 525 Ca -0.13 -0.83 -0.24 0.00 -1.18 0.00 0.00 61.69 59.31 1tqs s THR 525 Cb -0.07 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.43 1tqs s THR 525 CO -0.02 0.51 1.06 -0.76 -0.54 0.00 0.00 174.62 174.87 1tqs s LEU 526 N -0.97 4.15 -0.19 4.79 1.43 -1.26 -0.67 118.68 125.96 1tqs s LEU 526 Ca 0.13 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1tqs s LEU 526 Cb -0.11 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 41.98 1tqs s LEU 526 CO 0.02 -0.51 -0.17 -0.62 0.23 0.00 0.00 176.35 175.30 1tqs s ASP 527 N -1.51 3.30 -0.18 2.29 2.15 -0.32 -4.88 116.67 117.51 1tqs s ASP 527 Ca 0.58 -0.77 0.01 0.00 0.43 0.00 0.00 52.55 52.80 1tqs s ASP 527 Cb -0.23 -1.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.99 1tqs s ASP 527 CO 0.29 -0.05 -0.18 -0.62 -0.17 0.00 0.00 175.17 174.44 1tqs s ASP 528 N 1.30 3.12 0.12 -0.34 -1.08 -1.26 -4.14 116.67 114.39 1tqs s ASP 528 Ca 0.02 -0.67 0.27 0.00 -0.52 0.00 0.00 52.55 51.65 1tqs s ASP 528 Cb -0.14 -1.40 0.96 0.00 -1.46 0.00 0.00 42.92 40.88 1tqs s ASP 528 CO -0.11 -0.03 1.82 -1.20 0.52 0.00 0.00 175.17 176.17 1tqs n SER 529 N 4.65 0.49 0.00 -0.34 7.64 -1.26 -3.99 113.62 120.81 1tqs n SER 529 Ca -0.19 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1tqs n SER 529 Cb 0.49 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1tqs n SER 529 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1tqs n ARG 530 N -1.95 1.86 -3.69 1.43 1.74 -1.26 -4.44 116.66 110.35 1tqs n ARG 530 Ca 0.06 -1.14 -0.11 0.00 -0.77 0.00 0.00 57.85 55.89 1tqs n ARG 530 Cb 0.39 -0.88 -0.11 0.00 -1.02 0.00 0.00 32.46 30.84 1tqs n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1tqs s TRP 531 N -0.66 -0.55 0.11 -1.55 -0.11 -1.26 -4.07 118.94 110.87 1tqs s TRP 531 Ca 0.00 1.16 0.34 0.00 1.22 0.00 0.00 56.10 58.82 1tqs s TRP 531 Cb 0.00 0.17 1.53 0.00 -1.50 0.00 0.00 33.47 33.67 1tqs s TRP 531 CO 0.00 -0.35 2.01 -1.35 -4.62 0.00 0.00 176.95 172.64 1tqs h PRO 532 N 7.56 0.00 0.00 5.86 0.11 -1.88 -3.43 132.00 140.21 1tqs h PRO 532 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1tqs h PRO 532 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1tqs h PRO 532 CO 0.25 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 1tqs n GLY 533 N -0.28 2.67 3.73 -0.55 0.00 -1.26 -4.27 105.19 105.23 1tqs n GLY 533 Ca -0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1tqs n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tqs s SER 534 N 0.00 6.49 0.00 1.61 0.15 -1.26 -0.74 113.70 119.95 1tqs s SER 534 Ca 0.00 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.42 1tqs s SER 534 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1tqs s SER 534 CO 0.00 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.18 1tqs n GLY 535 N 3.24 1.22 0.50 9.45 0.00 -1.26 -4.84 105.19 113.49 1tqs n GLY 535 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1tqs n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1tqs n VAL 536 N -2.00 1.01 -3.79 1.61 0.31 0.08 -4.98 118.33 110.57 1tqs n VAL 536 Ca 0.00 -0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 1tqs n VAL 536 Cb 0.00 -1.80 -0.12 0.00 -0.91 0.00 0.00 33.84 31.02 1tqs n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1tqs s GLU 537 N -2.35 0.29 -0.75 5.55 2.12 -0.91 -4.99 118.70 117.65 1tqs s GLU 537 Ca -0.21 0.29 -0.19 0.00 0.36 0.00 0.00 54.97 55.22 1tqs s GLU 537 Cb 0.07 0.14 0.12 0.00 0.26 0.00 0.00 34.13 34.72 1tqs s GLU 537 CO 0.27 -0.04 0.91 0.34 -0.54 0.00 0.00 175.26 176.21 1tqs s ASP 538 N 0.05 6.41 0.00 -1.70 -1.08 -1.26 -4.62 116.67 114.47 1tqs s ASP 538 Ca -0.01 -1.72 0.00 0.00 -0.52 0.00 0.00 52.55 50.30 1tqs s ASP 538 Cb -0.02 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1tqs s ASP 538 CO 0.00 -1.09 0.00 -1.54 0.52 0.00 0.00 175.17 173.06 1tqs n SER 539 N 6.37 3.08 -4.75 -0.34 3.41 -1.26 -5.05 113.62 115.09 1tqs n SER 539 Ca 0.06 -0.18 -0.40 0.00 -0.26 0.00 0.00 58.87 58.09 1tqs n SER 539 Cb 0.46 0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 65.34 1tqs n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1tqs s ARG 540 N -1.60 4.84 0.18 4.33 0.52 -1.26 -5.04 118.95 120.92 1tqs s ARG 540 Ca 0.00 1.51 -0.14 0.00 -0.52 0.00 0.00 55.73 56.58 1tqs s ARG 540 Cb 0.00 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 1tqs s ARG 540 CO 0.00 0.48 0.59 0.95 0.02 0.00 0.00 175.30 177.35 1tqs s THR 541 N -1.13 4.81 -0.05 0.02 -4.23 -1.26 -5.05 115.64 108.74 1tqs s THR 541 Ca 0.41 0.86 -0.18 0.00 -1.18 0.00 0.00 61.69 61.61 1tqs s THR 541 Cb -0.26 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 69.80 1tqs s THR 541 CO 0.33 0.16 0.48 -0.89 -0.54 0.00 0.00 174.62 174.16 1tqs s THR 542 N -1.56 5.06 -0.32 3.99 2.01 -1.26 -4.50 115.64 119.05 1tqs s THR 542 Ca 0.41 0.98 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 1tqs s THR 542 Cb -0.14 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.57 1tqs s THR 542 CO 0.20 0.43 1.13 -0.63 -0.69 0.00 0.00 174.62 175.06 1tqs s ILE 543 N -0.15 4.41 -0.40 1.82 1.01 0.24 -4.94 121.20 123.21 1tqs s ILE 543 Ca 0.26 1.62 -0.17 0.00 0.00 0.00 0.00 60.65 62.36 1tqs s ILE 543 Cb -0.16 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 37.95 1tqs s ILE 543 CO 0.13 -0.51 0.45 -0.63 0.00 0.00 0.00 174.94 174.38 1tqs s ILE 544 N 3.83 5.07 0.20 2.92 1.01 -1.26 -1.41 121.20 131.57 1tqs s ILE 544 Ca 0.48 -0.13 0.11 0.00 0.00 0.00 0.00 60.65 61.11 1tqs s ILE 544 Cb -0.13 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1tqs s ILE 544 CO 0.18 -0.34 -0.23 -0.76 0.00 0.00 0.00 174.94 173.79 1tqs s LEU 545 N 2.20 2.45 0.00 2.97 1.43 -1.26 -4.72 118.68 121.74 1tqs s LEU 545 Ca 0.14 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1tqs s LEU 545 Cb -0.16 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.91 1tqs s LEU 545 CO 0.14 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1tqs n GLY 546 N 0.18 1.19 0.26 -3.19 0.00 -0.03 -4.80 105.19 98.81 1tqs n GLY 546 Ca -0.12 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1tqs n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1tqs h GLU 547 N 0.00 0.07 -0.65 1.61 4.81 -1.96 -0.28 114.58 118.18 1tqs h GLU 547 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1tqs h GLU 547 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1tqs h GLU 547 CO 0.00 0.07 0.00 -0.25 -0.73 0.00 0.00 179.01 178.10 1tqs n ASP 548 N -4.51 4.60 0.00 1.04 8.00 -1.26 -4.67 116.55 119.76 1tqs n ASP 548 Ca -0.02 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.02 1tqs n ASP 548 Cb 0.10 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1tqs n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tqs n ILE 549 N 1.02 0.00 -3.34 0.53 3.06 -0.62 -5.12 119.36 114.88 1tqs n ILE 549 Ca 0.24 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.52 1tqs n ILE 549 Cb 0.87 -0.29 -0.03 0.00 0.54 0.00 0.00 39.64 40.73 1tqs n ILE 549 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1tqs s LEU 550 N -4.42 -0.73 0.32 9.51 2.96 -0.21 -4.93 118.68 121.18 1tqs s LEU 550 Ca 0.00 0.78 0.17 0.00 -0.22 0.00 0.00 54.13 54.86 1tqs s LEU 550 Cb 0.00 1.74 0.35 0.00 0.50 0.00 0.00 46.19 48.79 1tqs s LEU 550 CO 0.00 -0.14 1.58 1.55 -1.32 0.00 0.00 176.35 178.02 1tqs h PRO 551 N 7.74 0.00 -3.46 0.98 0.13 -1.90 -0.05 132.00 135.44 1tqs h PRO 551 Ca -0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1tqs h PRO 551 Cb 1.13 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 1tqs h PRO 551 CO 0.07 0.46 -0.05 -1.54 -0.23 0.00 0.00 178.00 176.71 1tqs s SER 552 N -6.45 -0.17 -0.10 1.44 1.04 -1.26 -1.23 113.70 106.97 1tqs s SER 552 Ca 0.02 -0.65 -0.06 0.00 0.48 0.00 0.00 55.95 55.74 1tqs s SER 552 Cb 0.09 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.82 1tqs s SER 552 CO 0.72 -1.06 0.24 -0.75 0.98 0.00 0.00 173.24 173.37 1tqs s LYS 553 N -3.92 0.23 0.13 4.02 2.47 -0.08 -4.98 119.74 117.60 1tqs s LYS 553 Ca 0.13 0.47 -0.26 0.00 -1.56 0.00 0.00 55.97 54.75 1tqs s LYS 553 Cb -0.01 -0.04 -0.07 0.00 -1.46 0.00 0.00 37.83 36.25 1tqs s LYS 553 CO 0.01 -0.12 0.79 -1.01 0.16 0.00 0.00 175.35 175.18 1tqs s HIS 554 N 0.91 3.85 0.13 4.03 3.76 -1.26 -0.76 115.29 125.95 1tqs s HIS 554 Ca -0.06 1.60 0.07 0.00 -0.15 0.00 0.00 55.06 56.52 1tqs s HIS 554 Cb -0.08 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 1tqs s HIS 554 CO -0.06 0.41 -0.15 0.14 -0.85 0.00 0.00 174.74 174.23 1tqs s VAL 555 N -0.72 1.45 -0.02 -0.90 -7.23 -0.11 -1.65 120.40 111.22 1tqs s VAL 555 Ca 0.38 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1tqs s VAL 555 Cb -0.22 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1tqs s VAL 555 CO 0.26 -0.35 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.93 1tqs s VAL 556 N -1.99 0.63 -0.07 1.32 1.01 -0.02 -0.64 120.40 120.64 1tqs s VAL 556 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1tqs s VAL 556 Cb -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1tqs s VAL 556 CO 0.04 0.20 -0.06 -0.04 0.00 0.00 0.00 175.10 175.25 1tqs s MET 557 N 0.19 2.82 -0.06 2.72 -1.94 -0.13 -0.32 119.30 122.57 1tqs s MET 557 Ca -0.03 -0.52 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 1tqs s MET 557 Cb -0.07 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 1tqs s MET 557 CO 0.00 0.66 -0.10 -1.58 -0.01 0.00 0.00 175.02 173.99 1tqs s HIS 558 N -0.78 2.84 -0.30 -0.03 5.04 -0.10 -1.27 115.29 120.69 1tqs s HIS 558 Ca 0.12 -0.08 0.03 0.00 -1.54 0.00 0.00 55.06 53.59 1tqs s HIS 558 Cb -0.11 -1.69 0.08 0.00 0.04 0.00 0.00 32.58 30.90 1tqs s HIS 558 CO 0.02 0.25 -0.02 1.21 -2.34 0.00 0.00 174.74 173.85 1tqs s ASN 559 N -0.72 4.56 0.25 9.88 2.47 -0.38 -1.03 114.94 129.97 1tqs s ASN 559 Ca 0.11 -1.76 0.25 0.00 0.42 0.00 0.00 52.86 51.88 1tqs s ASN 559 Cb -0.11 -1.55 0.91 0.00 -1.45 0.00 0.00 41.25 39.05 1tqs s ASN 559 CO 0.01 -0.29 1.75 1.07 -3.72 0.00 0.00 177.10 175.92 1tqs n THR 560 N 4.37 0.73 -2.79 -5.21 5.66 -1.26 -1.82 114.28 113.95 1tqs n THR 560 Ca -0.05 -0.01 -0.35 0.00 -3.05 0.00 0.00 64.05 60.59 1tqs n THR 560 Cb 0.42 -0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 68.23 1tqs n THR 560 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1tqs s LEU 561 N -4.58 4.09 -0.12 1.09 1.43 -1.26 -4.51 118.68 114.82 1tqs s LEU 561 Ca 0.07 1.76 -0.00 0.00 -1.03 0.00 0.00 54.13 54.93 1tqs s LEU 561 Cb 0.11 -4.34 0.08 0.00 0.03 0.00 0.00 46.19 42.06 1tqs s LEU 561 CO 0.49 -0.27 2.02 -0.81 0.23 0.00 0.00 176.35 178.02 1tqs n PRO 562 N -0.19 1.31 -3.83 1.29 -0.04 -1.26 -1.33 135.00 130.95 1tqs n PRO 562 Ca 0.05 -0.59 -0.11 0.00 -0.04 0.00 0.00 63.50 62.81 1tqs n PRO 562 Cb 0.52 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.66 1tqs n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1tqs s HIS 563 N -0.67 0.00 0.35 0.54 -3.43 -1.26 -0.46 115.29 110.36 1tqs s HIS 563 Ca 0.12 -0.16 -0.28 0.00 -0.80 0.00 0.00 55.06 53.94 1tqs s HIS 563 Cb 0.09 -0.00 -0.12 0.00 -1.43 0.00 0.00 32.58 31.12 1tqs s HIS 563 CO -0.00 -0.42 1.30 0.91 -2.00 0.00 0.00 174.74 174.54 1tqs n TRP 564 N 0.85 2.33 -3.79 0.38 7.02 -1.26 -3.93 117.44 119.03 1tqs n TRP 564 Ca -0.20 0.54 -0.13 0.00 -1.02 0.00 0.00 57.50 56.70 1tqs n TRP 564 Cb 0.58 -2.42 -0.13 0.00 -2.42 0.00 0.00 31.31 26.92 1tqs n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1tqs s ARG 565 N -1.92 0.13 -0.05 -0.99 3.52 -0.76 -4.95 118.95 113.94 1tqs s ARG 565 Ca 0.56 0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 56.41 1tqs s ARG 565 Cb -0.56 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 32.77 1tqs s ARG 565 CO 0.62 -0.08 0.02 -1.21 -0.81 0.00 0.00 175.30 173.84 1tqs s GLU 566 N 0.52 2.94 -0.20 5.12 2.02 -1.26 -0.95 118.70 126.89 1tqs s GLU 566 Ca -0.04 -0.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.25 1tqs s GLU 566 Cb -0.05 -2.77 0.06 0.00 0.10 0.00 0.00 34.13 31.46 1tqs s GLU 566 CO -0.02 0.67 0.62 -1.14 0.02 0.00 0.00 175.26 175.41 1tqs s GLN 567 N -1.22 0.76 0.29 1.61 0.74 -0.72 -4.98 119.66 116.14 1tqs s GLN 567 Ca 0.17 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 56.04 1tqs s GLN 567 Cb -0.11 0.37 -0.10 0.00 1.10 0.00 0.00 33.01 34.27 1tqs s GLN 567 CO 0.06 -0.12 1.19 -0.51 -0.55 0.00 0.00 175.29 175.37 1tqs s LEU 568 N 0.09 4.50 0.11 3.68 1.43 -1.26 -1.06 118.68 126.16 1tqs s LEU 568 Ca -0.02 2.43 0.07 0.00 -1.03 0.00 0.00 54.13 55.58 1tqs s LEU 568 Cb -0.04 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1tqs s LEU 568 CO 0.02 -0.31 -0.18 0.68 0.23 0.00 0.00 176.35 176.79 1tqs s VAL 569 N -1.04 1.52 0.06 -1.59 -7.23 0.00 -4.91 120.40 107.20 1tqs s VAL 569 Ca 0.47 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1tqs s VAL 569 Cb -0.35 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1tqs s VAL 569 CO 0.45 -0.21 -0.12 1.51 -0.31 0.00 0.00 175.10 176.42 1tqs s ASP 570 N -2.10 1.46 0.06 4.85 -4.77 -1.26 -1.67 116.67 113.23 1tqs s ASP 570 Ca 0.07 -0.55 0.02 0.00 -3.30 0.00 0.00 52.55 48.78 1tqs s ASP 570 Cb -0.08 -0.04 -0.03 0.00 -1.09 0.00 0.00 42.92 41.68 1tqs s ASP 570 CO 0.04 -0.08 -0.08 -0.36 0.70 0.00 0.00 175.17 175.39 1tqs s PHE 571 N -1.18 0.75 0.02 2.11 0.40 -0.38 -4.92 117.98 114.77 1tqs s PHE 571 Ca -0.03 -0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 55.48 1tqs s PHE 571 Cb -0.09 -0.44 -0.06 0.00 0.51 0.00 0.00 43.02 42.94 1tqs s PHE 571 CO 0.02 -0.10 0.63 0.71 0.70 0.00 0.00 175.22 177.17 1tqs s TYR 572 N -1.99 3.71 0.09 0.36 2.02 -1.26 -0.90 117.35 119.38 1tqs s TYR 572 Ca -0.04 1.27 0.03 0.00 -0.37 0.00 0.00 57.07 57.96 1tqs s TYR 572 Cb -0.06 -2.64 -0.03 0.00 -0.40 0.00 0.00 41.96 38.83 1tqs s TYR 572 CO -0.01 0.37 -0.10 0.14 -1.57 0.00 0.00 175.55 174.39 1tqs s VAL 573 N -0.31 0.86 -2.19 0.71 -7.23 0.20 -0.59 120.40 111.85 1tqs s VAL 573 Ca 0.32 -1.55 0.21 0.00 -1.81 0.00 0.00 61.98 59.15 1tqs s VAL 573 Cb -0.19 -1.24 0.49 0.00 0.56 0.00 0.00 36.38 36.00 1tqs s VAL 573 CO 0.19 -0.54 1.62 -1.54 -0.31 0.00 0.00 175.10 174.52 1tqs n SER 574 N 0.71 1.08 -3.89 4.85 3.41 -0.50 -0.80 113.62 118.48 1tqs n SER 574 Ca -0.17 -1.59 -0.11 0.00 -0.26 0.00 0.00 58.87 56.74 1tqs n SER 574 Cb 0.57 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 1tqs n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1tqs s SER 575 N -1.60 0.06 0.02 4.04 0.15 -1.26 -4.72 113.70 110.39 1tqs s SER 575 Ca 0.31 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.97 1tqs s SER 575 Cb 0.16 0.19 0.92 0.00 -1.71 0.00 0.00 66.02 65.58 1tqs s SER 575 CO 0.25 -0.37 1.71 -0.81 1.20 0.00 0.00 173.24 175.22 1tqs n PRO 576 N 1.42 0.03 -3.10 5.44 -0.04 -1.26 -4.47 135.00 133.02 1tqs n PRO 576 Ca -0.23 0.02 -0.44 0.00 -0.04 0.00 0.00 63.50 62.81 1tqs n PRO 576 Cb 0.56 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1tqs n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tqs n PHE 577 N -1.57 4.13 -4.47 0.54 0.99 -1.26 -4.94 117.46 110.87 1tqs n PHE 577 Ca 0.06 -3.34 -0.21 0.00 -0.00 0.00 0.00 57.45 53.97 1tqs n PHE 577 Cb 0.35 -1.66 -0.15 0.00 -1.00 0.00 0.00 39.48 37.02 1tqs n PHE 577 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1tqs s VAL 578 N -1.22 0.88 0.24 -4.37 1.01 -1.26 -0.90 120.40 114.79 1tqs s VAL 578 Ca 0.33 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.97 1tqs s VAL 578 Cb -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1tqs s VAL 578 CO -0.00 0.26 -0.17 -0.94 0.00 0.00 0.00 175.10 174.24 1tqs s SER 579 N -0.03 3.08 -0.04 3.32 1.04 -0.26 -4.79 113.70 116.02 1tqs s SER 579 Ca 0.00 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.47 1tqs s SER 579 Cb -0.07 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1tqs s SER 579 CO 0.00 -0.06 -0.19 -0.69 0.98 0.00 0.00 173.24 173.28 1tqs s VAL 580 N -2.68 2.64 0.08 5.02 1.01 -1.26 -1.02 120.40 124.20 1tqs s VAL 580 Ca 0.26 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1tqs s VAL 580 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1tqs s VAL 580 CO 0.11 0.59 -0.07 0.42 0.00 0.00 0.00 175.10 176.14 1tqs s THR 581 N -0.67 0.69 0.83 3.92 -4.23 -0.44 -0.96 115.64 114.79 1tqs s THR 581 Ca 0.11 -1.68 -0.07 0.00 -1.18 0.00 0.00 61.69 58.86 1tqs s THR 581 Cb -0.10 -1.37 0.17 0.00 1.34 0.00 0.00 72.50 72.53 1tqs s THR 581 CO -0.00 -0.71 1.14 1.51 -0.54 0.00 0.00 174.62 176.03 1tqs s ASP 582 N -2.60 3.74 0.00 3.99 3.84 -0.65 -0.62 116.67 124.37 1tqs s ASP 582 Ca 0.06 -0.16 0.25 0.00 -0.00 0.00 0.00 52.55 52.70 1tqs s ASP 582 Cb 0.00 -0.04 1.40 0.00 -1.38 0.00 0.00 42.92 42.91 1tqs s ASP 582 CO -0.03 -2.29 1.87 -0.11 -0.00 0.00 0.00 175.17 174.61 1tqs n LEU 583 N -3.25 0.00 -0.98 2.11 7.94 -1.24 -1.09 117.00 120.49 1tqs n LEU 583 Ca 0.16 0.14 0.09 0.00 -1.11 0.00 0.00 56.01 55.29 1tqs n LEU 583 Cb 0.60 -0.14 0.24 0.00 0.53 0.00 0.00 43.42 44.65 1tqs n LEU 583 CO 0.43 -0.03 0.71 0.00 -1.11 0.00 0.00 177.39 177.39 1tqs n ALA 584 N -1.14 2.42 -1.47 1.96 0.00 -1.26 -4.92 120.51 116.10 1tqs n ALA 584 Ca 0.16 -0.92 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 1tqs n ALA 584 Cb 0.14 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 1tqs n ALA 584 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tqs n ASN 585 N 1.06 -4.45 -4.72 0.00 3.02 -0.25 -4.99 115.26 104.92 1tqs n ASN 585 Ca 0.18 0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 54.59 1tqs n ASN 585 Cb 0.45 -3.12 -0.04 0.00 -0.61 0.00 0.00 39.78 36.46 1tqs n ASN 585 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1tqs s ASN 586 N -2.82 7.37 0.56 6.41 0.01 -1.26 -4.80 114.94 120.41 1tqs s ASN 586 Ca 0.00 1.65 -0.20 0.00 -0.71 0.00 0.00 52.86 53.59 1tqs s ASN 586 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1tqs s ASN 586 CO 0.00 -0.13 1.24 -2.84 -1.51 0.00 0.00 177.10 173.87 1tqs s PRO 587 N 0.41 3.14 -0.07 -0.60 0.02 -1.26 -1.63 135.00 135.00 1tqs s PRO 587 Ca 0.47 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.46 1tqs s PRO 587 Cb -0.22 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.21 1tqs s PRO 587 CO 0.27 -1.11 -0.18 0.08 -0.33 0.00 0.00 177.00 175.74 1tqs s VAL 588 N -1.49 1.55 0.28 3.83 1.01 -0.14 -4.86 120.40 120.58 1tqs s VAL 588 Ca 0.74 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1tqs s VAL 588 Cb -0.33 -1.36 -0.10 0.00 0.00 0.00 0.00 36.38 34.59 1tqs s VAL 588 CO 0.38 0.44 1.42 -0.70 0.00 0.00 0.00 175.10 176.64 1tqs s GLU 589 N 0.36 4.27 0.09 2.72 2.12 -1.26 -4.29 118.70 122.70 1tqs s GLU 589 Ca -0.13 2.32 0.00 0.00 0.36 0.00 0.00 54.97 57.52 1tqs s GLU 589 Cb -0.15 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1tqs s GLU 589 CO 0.05 -0.39 -0.03 0.00 -0.54 0.00 0.00 175.26 174.35 1tqs s ALA 590 N -0.37 0.78 -0.04 6.30 0.00 -0.31 -4.30 121.76 123.83 1tqs s ALA 590 Ca 0.56 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1tqs s ALA 590 Cb -0.42 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1tqs s ALA 590 CO 0.47 -0.33 -0.12 -1.14 0.00 0.00 0.00 175.76 174.64 1tqs s GLN 591 N -3.90 1.38 -0.10 0.00 0.74 -0.01 -1.10 119.66 116.67 1tqs s GLN 591 Ca 0.12 -0.43 -0.01 0.00 0.05 0.00 0.00 55.36 55.09 1tqs s GLN 591 Cb 0.07 -1.22 -0.03 0.00 1.10 0.00 0.00 33.01 32.93 1tqs s GLN 591 CO -0.06 0.14 -0.05 0.08 -0.55 0.00 0.00 175.29 174.86 1tqs s VAL 592 N 0.23 3.87 0.16 1.34 1.01 0.29 -0.51 120.40 126.79 1tqs s VAL 592 Ca -0.05 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1tqs s VAL 592 Cb -0.11 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1tqs s VAL 592 CO 0.02 0.56 -0.08 -0.44 0.00 0.00 0.00 175.10 175.16 1tqs s SER 593 N -0.41 1.78 0.92 3.32 0.01 -0.23 -1.61 113.70 117.48 1tqs s SER 593 Ca 0.07 -1.06 -0.12 0.00 1.31 0.00 0.00 55.95 56.14 1tqs s SER 593 Cb -0.12 -0.00 0.14 0.00 0.21 0.00 0.00 66.02 66.25 1tqs s SER 593 CO 0.02 -0.38 1.12 -2.84 0.41 0.00 0.00 173.24 171.57 1tqs s PRO 594 N -3.78 1.06 -0.35 12.44 0.02 -1.26 -0.76 135.00 142.37 1tqs s PRO 594 Ca 0.19 0.41 -0.14 0.00 0.02 0.00 0.00 61.00 61.49 1tqs s PRO 594 Cb 0.03 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.72 1tqs s PRO 594 CO 0.02 -2.28 0.29 0.08 -0.33 0.00 0.00 177.00 174.78 1tqs s VAL 595 N -3.17 5.24 -0.16 3.83 1.01 -1.26 -4.45 120.40 121.45 1tqs s VAL 595 Ca 0.64 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 1tqs s VAL 595 Cb -0.16 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1tqs s VAL 595 CO 0.55 -0.06 0.02 0.26 0.00 0.00 0.00 175.10 175.86 1tqs s TRP 596 N 1.82 3.16 -0.01 5.22 0.52 -1.26 -1.48 118.94 126.91 1tqs s TRP 596 Ca 0.08 -0.06 0.05 0.00 0.02 0.00 0.00 56.10 56.19 1tqs s TRP 596 Cb -0.17 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.12 1tqs s TRP 596 CO 0.11 0.11 -0.17 -1.54 0.02 0.00 0.00 176.95 175.48 1tqs s SER 597 N 0.26 2.03 -0.04 2.95 1.04 -0.13 -4.94 113.70 114.88 1tqs s SER 597 Ca 0.01 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.02 1tqs s SER 597 Cb -0.13 -0.25 -0.05 0.00 0.10 0.00 0.00 66.02 65.69 1tqs s SER 597 CO 0.01 0.21 0.30 0.26 0.98 0.00 0.00 173.24 175.00 1tqs s TRP 598 N -0.38 3.66 -0.03 5.02 0.52 -1.26 -0.19 118.94 126.28 1tqs s TRP 598 Ca 0.06 0.77 0.03 0.00 0.02 0.00 0.00 56.10 56.98 1tqs s TRP 598 Cb -0.07 -2.12 -0.00 0.00 -1.15 0.00 0.00 33.47 30.13 1tqs s TRP 598 CO -0.01 0.67 -0.12 -1.01 0.02 0.00 0.00 176.95 176.51 1tqs s HIS 599 N -1.11 1.16 -0.47 -1.98 3.76 -0.24 -4.95 115.29 111.47 1tqs s HIS 599 Ca 0.22 -0.29 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 1tqs s HIS 599 Cb -0.14 -0.80 0.03 0.00 1.11 0.00 0.00 32.58 32.78 1tqs s HIS 599 CO 0.11 -0.10 0.80 -1.58 -0.85 0.00 0.00 174.74 173.12 1tqs s HIS 600 N 0.06 2.96 -0.56 1.40 2.46 -1.26 -1.69 115.29 118.66 1tqs s HIS 600 Ca -0.02 0.10 -0.25 0.00 0.47 0.00 0.00 55.06 55.37 1tqs s HIS 600 Cb -0.09 -3.72 0.04 0.00 -0.13 0.00 0.00 32.58 28.68 1tqs s HIS 600 CO 0.01 -1.05 1.00 0.34 -2.47 0.00 0.00 174.74 172.57 1tqs s ASP 601 N 2.27 6.35 0.00 9.88 -1.08 0.36 -4.90 116.67 129.55 1tqs s ASP 601 Ca 0.29 -0.28 0.16 0.00 -0.52 0.00 0.00 52.55 52.21 1tqs s ASP 601 Cb -0.12 -2.46 0.71 0.00 -1.46 0.00 0.00 42.92 39.58 1tqs s ASP 601 CO 0.22 -1.29 1.52 0.35 0.52 0.00 0.00 175.17 176.48 1tqs n THR 602 N 6.29 0.85 -0.10 1.71 -2.24 -1.26 -0.27 114.28 119.25 1tqs n THR 602 Ca 0.03 0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.84 1tqs n THR 602 Cb 0.48 -0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 67.68 1tqs n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1tqs h LEU 603 N 0.00 0.00 0.00 3.22 -0.00 -1.95 -3.39 115.31 113.19 1tqs h LEU 603 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 1tqs h LEU 603 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1tqs h LEU 603 CO 0.00 1.32 -0.22 0.35 -0.00 0.00 0.00 178.44 179.88 1tqs n THR 604 N -4.48 0.41 -3.39 0.22 -2.24 -1.23 -4.94 114.28 98.63 1tqs n THR 604 Ca -0.26 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.10 1tqs n THR 604 Cb 0.58 -0.38 0.07 0.00 -2.10 0.00 0.00 70.33 68.50 1tqs n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1tqs n LYS 605 N -2.08 -6.60 -4.15 -0.78 4.76 0.62 -5.01 118.16 104.92 1tqs n LYS 605 Ca 0.05 0.72 -0.11 0.00 -2.87 0.00 0.00 58.31 56.10 1tqs n LYS 605 Cb 0.42 -5.42 -0.10 0.00 -1.84 0.00 0.00 35.03 28.08 1tqs n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1tqs s THR 606 N -3.29 0.66 -0.27 -0.18 -4.23 -1.16 -4.99 115.64 102.19 1tqs s THR 606 Ca 0.38 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 59.01 1tqs s THR 606 Cb -0.17 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1tqs s THR 606 CO 0.63 -0.82 0.03 -0.63 -0.54 0.00 0.00 174.62 173.29 1tqs s ILE 607 N -3.35 3.69 0.08 2.99 1.01 -1.26 -0.49 121.20 123.88 1tqs s ILE 607 Ca 0.09 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 1tqs s ILE 607 Cb 0.03 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.67 1tqs s ILE 607 CO -0.04 0.19 0.23 -1.38 0.00 0.00 0.00 174.94 173.94 1tqs s HIS 608 N 1.48 0.06 0.13 3.97 -3.43 -0.68 -4.43 115.29 112.39 1tqs s HIS 608 Ca 0.03 -0.42 -0.08 0.00 -0.80 0.00 0.00 55.06 53.79 1tqs s HIS 608 Cb -0.16 0.01 -0.06 0.00 -1.43 0.00 0.00 32.58 30.93 1tqs s HIS 608 CO 0.00 -0.55 0.43 -1.25 -2.00 0.00 0.00 174.74 171.37 1tqs s PRO 609 N -3.54 3.73 -0.04 -0.38 0.04 -1.26 -1.08 135.00 132.47 1tqs s PRO 609 Ca 0.02 0.12 0.07 0.00 0.04 0.00 0.00 61.00 61.25 1tqs s PRO 609 Cb 0.03 -2.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 1tqs s PRO 609 CO -0.09 0.48 -0.25 -0.65 0.04 0.00 0.00 177.00 176.52 1tqs s GLN 610 N -2.35 2.27 0.05 4.56 -1.52 0.74 -4.93 119.66 118.48 1tqs s GLN 610 Ca 0.39 -0.89 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 1tqs s GLN 610 Cb -0.13 -2.05 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 1tqs s GLN 610 CO 0.21 0.46 0.16 0.20 -0.25 0.00 0.00 175.29 176.07 1tqs s GLY 611 N -0.37 2.13 0.32 3.09 0.00 -1.26 -0.96 107.32 110.28 1tqs s GLY 611 Ca 0.03 -0.87 -0.23 0.00 0.00 0.00 0.00 44.72 43.64 1tqs s GLY 611 CO 0.01 -0.84 0.89 -0.45 0.00 0.00 0.00 173.10 172.72 1tqs s SER 612 N -2.35 7.19 0.00 1.64 0.15 -0.55 -4.92 113.70 114.86 1tqs s SER 612 Ca 0.32 1.70 0.16 0.00 0.70 0.00 0.00 55.95 58.83 1tqs s SER 612 Cb -0.13 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.09 1tqs s SER 612 CO 0.24 -0.11 1.36 0.35 1.20 0.00 0.00 173.24 176.29 1tqs n THR 613 N 0.34 0.92 -0.65 6.45 -2.24 -1.26 -4.55 114.28 113.28 1tqs n THR 613 Ca 0.02 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1tqs n THR 613 Cb 0.51 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1tqs n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1tqs n THR 614 N 1.04 0.00 -4.46 4.28 -2.24 -1.26 -4.23 114.28 107.41 1tqs n THR 614 Ca 0.17 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.72 1tqs n THR 614 Cb 0.51 1.65 -0.14 0.00 -2.10 0.00 0.00 70.33 70.25 1tqs n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tqs s LYS 615 N -0.01 1.05 0.06 -0.78 1.02 -1.26 -4.49 119.74 115.33 1tqs s LYS 615 Ca 0.00 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.26 1tqs s LYS 615 Cb 0.00 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.21 1tqs s LYS 615 CO 0.00 0.27 -0.03 0.71 -0.92 0.00 0.00 175.35 175.39 1tqs s TYR 616 N -0.72 0.59 -0.21 3.18 1.51 0.02 -4.00 117.35 117.72 1tqs s TYR 616 Ca 0.03 -1.07 -0.09 0.00 -1.01 0.00 0.00 57.07 54.93 1tqs s TYR 616 Cb -0.07 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1tqs s TYR 616 CO 0.01 -0.37 0.10 1.03 -1.11 0.00 0.00 175.55 175.21 1tqs s ARG 617 N -3.92 4.01 -0.11 -0.62 0.52 0.06 -0.62 118.95 118.26 1tqs s ARG 617 Ca 0.09 -0.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1tqs s ARG 617 Cb 0.08 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 1tqs s ARG 617 CO -0.08 0.18 -0.03 -1.50 0.02 0.00 0.00 175.30 173.88 1tqs s ILE 618 N 0.67 3.97 -0.04 1.52 2.07 -0.08 -1.07 121.20 128.25 1tqs s ILE 618 Ca 0.05 -0.36 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 1tqs s ILE 618 Cb -0.13 -2.69 -0.00 0.00 0.13 0.00 0.00 42.46 39.78 1tqs s ILE 618 CO 0.01 0.55 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.83 1tqs s ILE 619 N -0.33 1.20 0.17 2.00 1.01 0.34 -1.26 121.20 124.34 1tqs s ILE 619 Ca 0.06 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 1tqs s ILE 619 Cb -0.12 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.34 1tqs s ILE 619 CO 0.02 0.35 0.48 0.72 0.00 0.00 0.00 174.94 176.51 1tqs s PHE 620 N 0.09 -0.11 -0.29 3.97 -0.12 -0.67 -0.83 117.98 120.02 1tqs s PHE 620 Ca -0.03 -0.22 -0.23 0.00 -0.05 0.00 0.00 56.93 56.40 1tqs s PHE 620 Cb -0.10 0.33 -0.00 0.00 -0.63 0.00 0.00 43.02 42.61 1tqs s PHE 620 CO 0.01 -0.85 0.74 0.21 -0.05 0.00 0.00 175.22 175.29 1tqs s LYS 621 N -3.86 4.00 0.01 1.99 2.20 -1.26 -0.82 119.74 122.01 1tqs s LYS 621 Ca 0.08 0.58 -0.13 0.00 -0.36 0.00 0.00 55.97 56.14 1tqs s LYS 621 Cb 0.00 -3.70 -0.06 0.00 -1.51 0.00 0.00 37.83 32.56 1tqs s LYS 621 CO -0.05 -0.60 0.39 0.00 -0.36 0.00 0.00 175.35 174.73 1tqs s ALA 622 N 2.82 3.72 -0.16 3.13 0.00 -0.23 -4.92 121.76 126.12 1tqs s ALA 622 Ca 0.31 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1tqs s ALA 622 Cb -0.15 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1tqs s ALA 622 CO 0.11 0.51 -0.17 0.50 0.00 0.00 0.00 175.76 176.71 1tqs s ARG 623 N -1.28 2.66 -0.02 0.00 3.52 -1.26 -1.75 118.95 120.81 1tqs s ARG 623 Ca 0.25 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 55.19 1tqs s ARG 623 Cb -0.16 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 1tqs s ARG 623 CO 0.14 -0.19 -0.12 0.08 -0.81 0.00 0.00 175.30 174.40 1tqs s VAL 624 N 1.30 1.01 0.92 7.11 1.01 -0.12 -4.81 120.40 126.82 1tqs s VAL 624 Ca 0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1tqs s VAL 624 Cb -0.13 -0.86 0.14 0.00 0.00 0.00 0.00 36.38 35.53 1tqs s VAL 624 CO -0.10 0.29 1.10 -2.84 0.00 0.00 0.00 175.10 173.55 1tqs s PRO 625 N -0.11 1.03 0.21 2.72 0.02 -1.26 -1.83 135.00 135.77 1tqs s PRO 625 Ca 0.01 1.13 -0.32 0.00 0.02 0.00 0.00 61.00 61.84 1tqs s PRO 625 Cb -0.07 -1.76 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 1tqs s PRO 625 CO 0.00 -2.49 1.64 -2.30 -0.33 0.00 0.00 177.00 173.53 1tqs n PRO 626 N -4.09 2.52 -4.17 5.54 -0.02 -1.25 -1.97 135.00 131.56 1tqs n PRO 626 Ca 0.08 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 62.13 1tqs n PRO 626 Cb 0.54 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1tqs n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1tqs n MET 627 N 3.43 -3.08 -2.16 -0.52 2.81 -0.44 -4.76 117.12 112.40 1tqs n MET 627 Ca 0.15 0.37 -0.02 0.00 -1.81 0.00 0.00 57.70 56.39 1tqs n MET 627 Cb 0.33 -4.89 -0.01 0.00 -0.71 0.00 0.00 33.22 27.94 1tqs n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tqs n GLY 628 N -1.59 3.99 3.14 3.03 0.00 -0.83 -4.81 105.19 108.12 1tqs n GLY 628 Ca -0.03 -1.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 1tqs n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tqs s LEU 629 N 0.00 2.30 -0.04 0.99 1.43 -0.26 -1.25 118.68 121.84 1tqs s LEU 629 Ca 0.02 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1tqs s LEU 629 Cb 0.00 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.86 1tqs s LEU 629 CO 0.02 -0.14 0.09 0.00 0.23 0.00 0.00 176.35 176.54 1tqs s ALA 630 N -1.52 -0.14 -0.12 4.21 0.00 -0.39 -1.22 121.76 122.58 1tqs s ALA 630 Ca -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 1tqs s ALA 630 Cb -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1tqs s ALA 630 CO 0.01 -0.09 0.05 0.99 0.00 0.00 0.00 175.76 176.72 1tqs s THR 631 N 0.66 4.70 0.21 0.00 2.01 -0.47 -0.96 115.64 121.80 1tqs s THR 631 Ca -0.05 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1tqs s THR 631 Cb -0.07 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1tqs s THR 631 CO -0.03 0.58 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.17 1tqs s TYR 632 N -0.63 1.46 -0.05 4.92 1.51 0.18 -3.60 117.35 121.15 1tqs s TYR 632 Ca 0.11 -0.95 0.03 0.00 -1.01 0.00 0.00 57.07 55.25 1tqs s TYR 632 Cb -0.12 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1tqs s TYR 632 CO 0.02 -0.09 -0.14 0.08 -1.11 0.00 0.00 175.55 174.31 1tqs s VAL 633 N -3.49 1.19 -0.20 0.71 1.01 0.21 -0.93 120.40 118.88 1tqs s VAL 633 Ca 0.27 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1tqs s VAL 633 Cb 0.06 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1tqs s VAL 633 CO 0.07 0.36 0.02 -0.76 0.00 0.00 0.00 175.10 174.79 1tqs s LEU 634 N 0.29 3.36 -0.03 3.92 1.43 0.06 -1.33 118.68 126.38 1tqs s LEU 634 Ca -0.07 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1tqs s LEU 634 Cb -0.12 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1tqs s LEU 634 CO 0.02 0.07 -0.19 -0.89 0.23 0.00 0.00 176.35 175.59 1tqs s THR 635 N 0.99 1.53 0.32 5.49 2.01 -0.19 -0.90 115.64 124.89 1tqs s THR 635 Ca 0.02 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 1tqs s THR 635 Cb -0.14 -1.29 -0.08 0.00 0.01 0.00 0.00 72.50 70.99 1tqs s THR 635 CO 0.02 0.44 0.71 -0.51 -0.69 0.00 0.00 174.62 174.59 1tqs s ILE 636 N -0.22 4.73 0.22 1.82 2.07 -0.37 -1.11 121.20 128.34 1tqs s ILE 636 Ca 0.02 0.84 0.02 0.00 -1.41 0.00 0.00 60.65 60.12 1tqs s ILE 636 Cb -0.10 -3.62 -0.05 0.00 0.13 0.00 0.00 42.46 38.82 1tqs s ILE 636 CO 0.01 -0.21 0.04 -0.94 -1.91 0.00 0.00 174.94 171.92 1tqs s SER 637 N -2.39 1.37 0.00 4.50 1.04 -0.08 -4.94 113.70 113.20 1tqs s SER 637 Ca 0.53 -1.26 0.29 0.00 0.48 0.00 0.00 55.95 55.99 1tqs s SER 637 Cb -0.10 0.10 1.28 0.00 0.10 0.00 0.00 66.02 67.40 1tqs s SER 637 CO 0.19 -0.61 1.94 -0.90 0.98 0.00 0.00 173.24 174.84 1tqs n ASP 638 N -0.37 0.02 -3.04 7.02 5.75 -1.26 -4.74 116.55 119.93 1tqs n ASP 638 Ca -0.04 0.35 -0.14 0.00 -0.01 0.00 0.00 54.79 54.96 1tqs n ASP 638 Cb 0.64 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 1tqs n ASP 638 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1tqs s SER 639 N -2.91 0.79 -0.12 -1.12 1.04 -1.26 -5.06 113.70 105.05 1tqs s SER 639 Ca 0.17 -1.46 -0.36 0.00 0.48 0.00 0.00 55.95 54.78 1tqs s SER 639 Cb 0.19 0.73 -0.13 0.00 0.10 0.00 0.00 66.02 66.92 1tqs s SER 639 CO 0.52 -1.44 1.81 0.29 0.98 0.00 0.00 173.24 175.39 1tqs n LYS 640 N -0.58 1.86 -2.26 4.02 5.02 -1.26 -4.84 118.16 120.12 1tqs n LYS 640 Ca -0.02 0.68 -0.35 0.00 -2.02 0.00 0.00 58.31 56.61 1tqs n LYS 640 Cb 0.61 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 1tqs n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1tqs s PRO 641 N 3.59 3.38 0.34 1.97 0.02 -1.26 -4.96 135.00 138.06 1tqs s PRO 641 Ca 0.93 1.55 0.02 0.00 0.02 0.00 0.00 61.00 63.52 1tqs s PRO 641 Cb -0.80 -2.01 0.61 0.00 0.02 0.00 0.00 34.50 32.31 1tqs s PRO 641 CO 0.54 -0.82 1.98 1.49 -0.33 0.00 0.00 177.00 179.86 1tqs h GLU 642 N 1.14 0.88 -0.51 5.54 4.81 -1.97 -3.05 114.58 121.42 1tqs h GLU 642 Ca -0.50 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1tqs h GLU 642 Cb 1.25 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1tqs h GLU 642 CO 0.57 0.58 0.00 0.72 -0.73 0.00 0.00 179.01 180.15 1tqs n HIS 643 N -4.45 1.60 -5.09 0.92 8.25 -1.26 -4.91 115.22 110.29 1tqs n HIS 643 Ca 0.09 -0.73 -0.30 0.00 -0.26 0.00 0.00 57.72 56.52 1tqs n HIS 643 Cb 0.11 -0.38 -0.17 0.00 1.12 0.00 0.00 29.99 30.67 1tqs n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1tqs s THR 644 N -2.48 1.86 0.35 1.59 2.01 -1.16 -1.16 115.64 116.66 1tqs s THR 644 Ca 0.50 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.67 1tqs s THR 644 Cb 0.37 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1tqs s THR 644 CO 0.16 0.52 0.21 -0.94 -0.69 0.00 0.00 174.62 173.88 1tqs s SER 645 N 0.39 4.87 -0.07 3.53 1.04 -0.26 -4.66 113.70 118.55 1tqs s SER 645 Ca -0.17 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.59 1tqs s SER 645 Cb -0.17 -0.76 -0.00 0.00 0.10 0.00 0.00 66.02 65.18 1tqs s SER 645 CO 0.08 -0.37 -0.21 -0.31 0.98 0.00 0.00 173.24 173.41 1tqs s TYR 646 N -2.41 2.16 0.51 5.02 1.51 -1.26 -0.55 117.35 122.33 1tqs s TYR 646 Ca 0.40 -0.74 -0.20 0.00 -1.01 0.00 0.00 57.07 55.52 1tqs s TYR 646 Cb -0.03 -1.45 -0.07 0.00 -0.11 0.00 0.00 41.96 40.30 1tqs s TYR 646 CO 0.24 -0.28 1.11 0.00 -1.11 0.00 0.00 175.55 175.51 1tqs s ALA 647 N 0.16 2.79 0.38 3.71 0.00 -0.63 -4.93 121.76 123.25 1tqs s ALA 647 Ca -0.10 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 1tqs s ALA 647 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1tqs s ALA 647 CO 0.05 -0.61 0.63 -1.12 0.00 0.00 0.00 175.76 174.71 1tqs s SER 648 N -1.76 6.31 -0.01 0.00 0.01 0.04 -4.83 113.70 113.45 1tqs s SER 648 Ca 0.70 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1tqs s SER 648 Cb -0.22 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1tqs s SER 648 CO 0.26 -0.38 -0.00 0.20 0.41 0.00 0.00 173.24 173.73 1tqs s ASN 649 N -3.89 0.23 -0.10 2.44 0.01 -1.26 -0.79 114.94 111.58 1tqs s ASN 649 Ca 0.43 -0.01 -0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1tqs s ASN 649 Cb -0.10 -0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.49 1tqs s ASN 649 CO 0.38 -0.05 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.64 1tqs s LEU 650 N 0.53 1.04 -0.29 0.60 2.96 0.39 -0.82 118.68 123.08 1tqs s LEU 650 Ca -0.05 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 1tqs s LEU 650 Cb -0.07 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1tqs s LEU 650 CO -0.01 -0.13 0.18 -0.22 -1.32 0.00 0.00 176.35 174.84 1tqs s LEU 651 N 1.70 4.06 -0.32 -0.68 1.98 0.14 -0.57 118.68 124.98 1tqs s LEU 651 Ca 0.03 -0.22 -0.09 0.00 -2.89 0.00 0.00 54.13 50.96 1tqs s LEU 651 Cb -0.13 -2.07 0.01 0.00 0.66 0.00 0.00 46.19 44.66 1tqs s LEU 651 CO -0.06 -0.11 0.15 -0.76 -1.89 0.00 0.00 176.35 173.67 1tqs s LEU 652 N 1.70 4.20 -0.16 -0.68 1.43 0.50 -2.01 118.68 123.66 1tqs s LEU 652 Ca 0.06 -0.69 -0.32 0.00 -1.03 0.00 0.00 54.13 52.15 1tqs s LEU 652 Cb -0.16 -1.97 0.14 0.00 0.03 0.00 0.00 46.19 44.22 1tqs s LEU 652 CO 0.09 -0.24 1.13 0.00 0.23 0.00 0.00 176.35 177.56 1tqs s ARG 653 N 1.57 0.42 0.40 1.70 1.70 -0.37 -1.75 118.95 122.60 1tqs s ARG 653 Ca 0.03 -0.08 -0.13 0.00 -0.47 0.00 0.00 55.73 55.08 1tqs s ARG 653 Cb -0.18 0.19 -0.08 0.00 -0.57 0.00 0.00 34.95 34.32 1tqs s ARG 653 CO 0.05 -0.17 0.80 0.15 -1.08 0.00 0.00 175.30 175.06 1tqs s LYS 654 N -2.13 3.90 -1.14 3.89 1.02 -1.26 -4.32 119.74 119.69 1tqs s LYS 654 Ca 0.07 0.64 -0.02 0.00 0.02 0.00 0.00 55.97 56.67 1tqs s LYS 654 Cb -0.01 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1tqs s LYS 654 CO -0.05 -0.01 0.97 -1.71 -0.92 0.00 0.00 175.35 173.63 1tqs n ASN 655 N -1.02 -3.77 -4.85 2.83 5.15 -1.26 -4.98 115.26 107.36 1tqs n ASN 655 Ca 0.04 -0.65 -0.31 0.00 -0.60 0.00 0.00 54.58 53.05 1tqs n ASN 655 Cb 0.54 -5.16 0.02 0.00 -0.53 0.00 0.00 39.78 34.64 1tqs n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1tqs s PRO 656 N -5.00 3.44 0.20 1.20 0.04 -1.26 -5.08 135.00 128.55 1tqs s PRO 656 Ca 0.17 0.84 0.05 0.00 0.04 0.00 0.00 61.00 62.10 1tqs s PRO 656 Cb -0.02 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1tqs s PRO 656 CO 0.73 -0.69 -0.09 0.95 0.04 0.00 0.00 177.00 177.95 1tqs s THR 657 N -3.08 1.35 0.75 1.26 -4.23 -1.26 -5.14 115.64 105.29 1tqs s THR 657 Ca 0.56 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.82 1tqs s THR 657 Cb -0.12 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.68 1tqs s THR 657 CO 0.52 -0.56 1.22 -0.94 -0.54 0.00 0.00 174.62 174.33 1tqs s SER 658 N -3.27 4.01 -0.43 3.99 1.04 -1.26 -5.01 113.70 112.76 1tqs s SER 658 Ca 0.22 2.41 0.04 0.00 0.48 0.00 0.00 55.95 59.11 1tqs s SER 658 Cb 0.03 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 63.72 1tqs s SER 658 CO 0.05 -2.39 0.35 -0.76 0.98 0.00 0.00 173.24 171.47 1tqs s LEU 659 N -5.24 1.67 0.50 2.42 1.43 -1.26 -5.10 118.68 113.09 1tqs s LEU 659 Ca 0.75 -3.10 -0.22 0.00 -1.03 0.00 0.00 54.13 50.54 1tqs s LEU 659 Cb -0.31 -0.53 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 1tqs s LEU 659 CO 0.46 -0.17 1.20 -2.16 0.23 0.00 0.00 176.35 175.92 1tqs s PRO 660 N -0.03 3.49 -0.09 1.29 0.04 -1.26 -4.61 135.00 133.83 1tqs s PRO 660 Ca 0.32 1.85 0.17 0.00 0.04 0.00 0.00 61.00 63.37 1tqs s PRO 660 Cb 0.02 -2.27 0.36 0.00 0.04 0.00 0.00 34.50 32.66 1tqs s PRO 660 CO -0.19 -0.79 1.17 1.28 0.04 0.00 0.00 177.00 178.51 1tqs n LEU 661 N -0.83 1.66 0.00 -3.56 4.77 -1.26 -4.68 117.00 113.10 1tqs n LEU 661 Ca 0.09 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 1tqs n LEU 661 Cb 0.48 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1tqs n LEU 661 CO 0.47 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 1tqs n GLY 662 N -0.35 3.78 0.00 -0.72 0.00 -1.26 -1.88 105.19 104.75 1tqs n GLY 662 Ca 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1tqs n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tqs n GLN 663 N 14.00 0.07 -1.66 1.61 6.02 -1.26 -4.82 117.38 131.34 1tqs n GLN 663 Ca 0.00 0.15 -0.50 0.00 -0.01 0.00 0.00 57.00 56.64 1tqs n GLN 663 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 1tqs n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1tqs n TYR 664 N -1.44 2.03 0.77 1.08 9.36 -0.79 -4.86 117.16 123.31 1tqs n TYR 664 Ca 0.06 0.36 0.09 0.00 3.32 0.00 0.00 57.90 61.73 1tqs n TYR 664 Cb 0.21 -2.50 0.44 0.00 -0.63 0.00 0.00 39.34 36.87 1tqs n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1tqs n PRO 665 N 4.20 0.12 -4.75 2.98 -0.04 -1.26 -4.70 135.00 131.56 1tqs n PRO 665 Ca 0.20 0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.48 1tqs n PRO 665 Cb 0.23 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.04 1tqs n PRO 665 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1tqs s GLU 666 N -2.81 3.19 0.29 0.54 0.41 -1.26 -5.11 118.70 113.96 1tqs s GLU 666 Ca 0.13 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 53.63 1tqs s GLU 666 Cb 0.13 -2.53 -0.09 0.00 -1.78 0.00 0.00 34.13 29.85 1tqs s GLU 666 CO 0.32 0.09 1.08 -0.51 -0.49 0.00 0.00 175.26 175.76 1tqs s ASP 667 N 0.62 7.22 0.35 -0.19 1.01 -1.26 -4.93 116.67 119.48 1tqs s ASP 667 Ca -0.10 2.22 -0.28 0.00 0.71 0.00 0.00 52.55 55.10 1tqs s ASP 667 Cb -0.16 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.04 1tqs s ASP 667 CO 0.03 -0.17 1.41 -0.69 0.21 0.00 0.00 175.17 175.96 1tqs s VAL 668 N -1.23 2.35 0.20 -1.27 1.01 -1.26 -4.71 120.40 115.49 1tqs s VAL 668 Ca 0.46 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.85 1tqs s VAL 668 Cb -0.30 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1tqs s VAL 668 CO 0.39 0.08 0.18 -0.54 0.00 0.00 0.00 175.10 175.21 1tqs s LYS 669 N -1.86 2.98 0.11 2.72 -0.14 0.00 -4.99 119.74 118.57 1tqs s LYS 669 Ca 0.52 -0.92 0.05 0.00 -1.36 0.00 0.00 55.97 54.26 1tqs s LYS 669 Cb -0.44 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.03 1tqs s LYS 669 CO 0.58 0.45 -0.13 -0.06 -0.76 0.00 0.00 175.35 175.43 1tqs s PHE 670 N -1.91 1.31 0.06 3.18 0.40 -1.26 -0.69 117.98 119.07 1tqs s PHE 670 Ca 0.32 -0.57 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 1tqs s PHE 670 Cb -0.09 -0.70 0.09 0.00 0.51 0.00 0.00 43.02 42.83 1tqs s PHE 670 CO 0.25 0.11 0.88 0.20 0.70 0.00 0.00 175.22 177.36 1tqs s GLY 671 N -2.38 -0.40 0.62 4.36 0.00 -0.85 -4.91 107.32 103.76 1tqs s GLY 671 Ca 0.07 0.69 -0.16 0.00 0.00 0.00 0.00 44.72 45.32 1tqs s GLY 671 CO 0.02 0.22 1.10 0.99 0.00 0.00 0.00 173.10 175.43 1tqs s ASP 672 N -2.64 5.39 0.37 1.64 1.01 -1.26 -1.24 116.67 119.94 1tqs s ASP 672 Ca 0.07 1.97 -0.26 0.00 0.71 0.00 0.00 52.55 55.04 1tqs s ASP 672 Cb -0.01 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.25 1tqs s ASP 672 CO -0.06 -1.43 1.00 -2.65 0.21 0.00 0.00 175.17 172.24 1tqs n PRO 673 N -2.14 1.37 -3.46 8.23 -0.02 -1.26 -4.67 135.00 133.05 1tqs n PRO 673 Ca 0.10 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1tqs n PRO 673 Cb 0.52 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1tqs n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1tqs s ARG 674 N -1.82 1.08 0.52 -0.52 1.70 -1.26 -5.00 118.95 113.65 1tqs s ARG 674 Ca 0.61 -0.40 -0.21 0.00 -0.47 0.00 0.00 55.73 55.26 1tqs s ARG 674 Cb -0.61 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.21 1tqs s ARG 674 CO 0.58 -0.47 1.19 -1.21 -1.08 0.00 0.00 175.30 174.31 1tqs s GLU 675 N -3.47 3.40 0.05 3.89 2.02 -1.26 -4.15 118.70 119.18 1tqs s GLU 675 Ca 0.03 1.81 -0.03 0.00 0.02 0.00 0.00 54.97 56.79 1tqs s GLU 675 Cb -0.01 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1tqs s GLU 675 CO -0.11 -0.86 0.03 0.96 0.02 0.00 0.00 175.26 175.30 1tqs s ILE 676 N -1.58 0.18 0.02 -1.63 -4.36 -0.96 -4.98 121.20 107.89 1tqs s ILE 676 Ca 0.70 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1tqs s ILE 676 Cb -0.29 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.09 1tqs s ILE 676 CO 0.34 -0.84 -0.10 -0.55 0.24 0.00 0.00 174.94 174.03 1tqs s SER 677 N -2.70 1.11 0.02 4.36 0.15 -1.26 -0.33 113.70 115.05 1tqs s SER 677 Ca 0.03 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 1tqs s SER 677 Cb 0.05 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1tqs s SER 677 CO -0.09 -0.02 -0.00 -0.76 1.20 0.00 0.00 173.24 173.58 1tqs s LEU 678 N -0.90 2.13 -0.11 3.45 1.43 -0.24 -4.98 118.68 119.45 1tqs s LEU 678 Ca -0.01 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 1tqs s LEU 678 Cb -0.07 0.21 0.05 0.00 0.03 0.00 0.00 46.19 46.42 1tqs s LEU 678 CO 0.00 -0.33 0.24 -0.60 0.23 0.00 0.00 176.35 175.90 1tqs s ARG 679 N -1.57 0.16 -0.14 1.70 3.52 -1.26 -0.91 118.95 120.46 1tqs s ARG 679 Ca -0.15 0.61 -0.04 0.00 -0.13 0.00 0.00 55.73 56.03 1tqs s ARG 679 Cb -0.09 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 1tqs s ARG 679 CO -0.01 -0.23 0.00 0.08 -0.81 0.00 0.00 175.30 174.34 1tqs s VAL 680 N 1.82 4.28 0.00 7.11 1.01 -1.26 -5.00 120.40 128.35 1tqs s VAL 680 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1tqs s VAL 680 Cb -0.11 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1tqs s VAL 680 CO -0.08 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1tqs n GLY 681 N 3.01 3.08 1.36 4.51 0.00 -1.26 -1.52 105.19 114.37 1tqs n GLY 681 Ca -0.18 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.69 1tqs n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tqs n ASN 682 N 2.28 4.63 -2.63 1.61 3.02 -1.26 -4.99 115.26 117.92 1tqs n ASN 682 Ca 0.00 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 1tqs n ASN 682 Cb 0.00 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 1tqs n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tqs n GLY 683 N 0.34 -1.52 3.78 7.41 0.00 -0.58 -4.97 105.19 109.65 1tqs n GLY 683 Ca 0.24 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 1tqs n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1tqs s PRO 684 N -1.72 2.41 -0.20 1.61 0.04 -1.26 -4.80 135.00 131.07 1tqs s PRO 684 Ca 0.00 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 1tqs s PRO 684 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1tqs s PRO 684 CO 0.00 -1.52 0.08 0.99 0.04 0.00 0.00 177.00 176.58 1tqs s THR 685 N -2.94 4.75 -0.10 1.26 2.01 -0.21 -4.29 115.64 116.12 1tqs s THR 685 Ca 0.60 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1tqs s THR 685 Cb -0.16 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1tqs s THR 685 CO 0.56 0.42 -0.10 -0.76 -0.69 0.00 0.00 174.62 174.05 1tqs s LEU 686 N 0.73 2.95 -0.00 4.42 1.43 -0.08 -0.73 118.68 127.40 1tqs s LEU 686 Ca 0.04 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1tqs s LEU 686 Cb -0.13 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1tqs s LEU 686 CO 0.02 0.27 -0.10 0.00 0.23 0.00 0.00 176.35 176.76 1tqs s ALA 687 N -0.24 2.86 0.06 4.21 0.00 -0.54 -1.08 121.76 127.03 1tqs s ALA 687 Ca 0.02 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.02 1tqs s ALA 687 Cb -0.13 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 1tqs s ALA 687 CO 0.03 0.59 -0.22 -0.06 0.00 0.00 0.00 175.76 176.10 1tqs s PHE 688 N -0.92 1.90 0.99 0.00 0.40 0.56 -0.42 117.98 120.49 1tqs s PHE 688 Ca 0.15 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.97 1tqs s PHE 688 Cb -0.11 -1.12 0.18 0.00 0.51 0.00 0.00 43.02 42.49 1tqs s PHE 688 CO 0.05 0.13 1.10 -1.54 0.70 0.00 0.00 175.22 175.66 1tqs s SER 689 N -1.34 2.71 0.12 1.36 1.04 0.06 -2.28 113.70 115.38 1tqs s SER 689 Ca 0.08 1.10 0.16 0.00 0.48 0.00 0.00 55.95 57.76 1tqs s SER 689 Cb -0.09 -1.73 0.69 0.00 0.10 0.00 0.00 66.02 64.99 1tqs s SER 689 CO 0.02 -3.07 1.48 -1.84 0.98 0.00 0.00 173.24 170.82 1tqs n GLU 690 N -4.12 0.08 -0.17 4.02 0.28 -1.26 -0.97 120.64 118.50 1tqs n GLU 690 Ca 0.05 0.40 0.09 0.00 -0.16 0.00 0.00 57.16 57.54 1tqs n GLU 690 Cb 0.58 -1.68 0.26 0.00 1.43 0.00 0.00 31.44 32.03 1tqs n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1tqs n GLN 691 N -1.83 1.96 -0.90 3.44 6.02 -1.26 -4.43 117.38 120.37 1tqs n GLN 691 Ca 0.02 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.54 1tqs n GLN 691 Cb 0.14 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1tqs n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tqs n GLY 692 N 1.20 0.48 3.60 1.08 0.00 -0.14 -4.89 105.19 106.52 1tqs n GLY 692 Ca 0.16 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1tqs n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tqs s LEU 693 N 0.00 3.24 0.30 0.99 1.43 -1.26 -4.74 118.68 118.64 1tqs s LEU 693 Ca 0.00 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.82 1tqs s LEU 693 Cb 0.00 -1.72 -0.13 0.00 0.03 0.00 0.00 46.19 44.37 1tqs s LEU 693 CO 0.00 0.36 1.23 -0.11 0.23 0.00 0.00 176.35 178.06 1tqs n LEU 694 N 2.19 2.87 0.00 1.79 7.94 -1.26 -0.76 117.00 129.77 1tqs n LEU 694 Ca -0.18 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1tqs n LEU 694 Cb 0.53 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1tqs n LEU 694 CO 0.27 -0.78 -0.37 2.29 -1.11 0.00 0.00 177.39 177.69 1tqs n LYS 695 N 0.97 2.09 -3.45 1.96 2.85 0.44 -2.27 118.16 120.74 1tqs n LYS 695 Ca 0.08 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 1tqs n LYS 695 Cb 0.33 -0.87 -0.03 0.00 -0.65 0.00 0.00 35.03 33.82 1tqs n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1tqs s SER 696 N -1.84 -0.58 -0.07 -5.58 1.04 -1.10 -1.58 113.70 103.99 1tqs s SER 696 Ca 0.00 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1tqs s SER 696 Cb 0.00 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.71 1tqs s SER 696 CO 0.00 -0.88 -0.12 -0.63 0.98 0.00 0.00 173.24 172.60 1tqs s ILE 697 N -3.12 1.13 -0.25 -1.02 1.01 -0.60 -1.47 121.20 116.88 1tqs s ILE 697 Ca -0.02 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 1tqs s ILE 697 Cb -0.01 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.46 1tqs s ILE 697 CO -0.07 0.36 -0.08 -1.58 0.00 0.00 0.00 174.94 173.56 1tqs s GLN 698 N 0.75 2.69 0.19 2.79 0.74 0.10 -0.84 119.66 126.07 1tqs s GLN 698 Ca -0.13 -1.07 -0.07 0.00 0.05 0.00 0.00 55.36 54.14 1tqs s GLN 698 Cb -0.16 -2.94 0.11 0.00 1.10 0.00 0.00 33.01 31.12 1tqs s GLN 698 CO 0.03 -0.44 1.61 -0.07 -0.55 0.00 0.00 175.29 175.87 1tqs h LEU 699 N 7.96 0.92 -8.71 3.68 3.38 -1.86 -0.54 115.31 120.13 1tqs h LEU 699 Ca -0.30 -0.32 -0.29 0.00 0.09 0.00 0.00 57.88 57.06 1tqs h LEU 699 Cb 1.09 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.44 1tqs h LEU 699 CO 0.55 1.08 -0.61 0.42 0.09 0.00 0.00 178.44 179.97 1tqs s THR 700 N -4.71 0.17 0.30 0.22 -4.23 -1.26 -4.19 115.64 101.95 1tqs s THR 700 Ca -0.10 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1tqs s THR 700 Cb 0.13 -2.54 0.37 0.00 1.34 0.00 0.00 72.50 71.80 1tqs s THR 700 CO 0.85 0.00 1.60 1.56 -0.54 0.00 0.00 174.62 178.09 1tqs h GLN 701 N 2.51 0.07 0.04 3.99 1.08 -1.93 -3.03 115.11 117.83 1tqs h GLN 701 Ca -0.36 -0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.52 1tqs h GLN 701 Cb 1.25 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.62 1tqs h GLN 701 CO 0.54 0.04 -1.78 0.38 -0.95 0.00 0.00 178.83 177.07 1tqs h ASP 702 N 0.07 0.13 -3.19 1.46 2.03 -1.99 -3.49 116.42 111.43 1tqs h ASP 702 Ca 0.57 -0.29 -0.52 0.00 -0.73 0.00 0.00 57.03 56.06 1tqs h ASP 702 Cb 1.16 -0.04 0.22 0.00 -0.83 0.00 0.00 39.33 39.84 1tqs h ASP 702 CO -0.81 1.26 -0.67 -1.54 -1.03 0.00 0.00 179.24 176.44 1tqs n SER 703 N -3.18 -2.16 -4.76 4.15 3.41 -1.15 -4.95 113.62 104.97 1tqs n SER 703 Ca -0.21 0.24 -0.34 0.00 -0.26 0.00 0.00 58.87 58.30 1tqs n SER 703 Cb 1.05 -1.16 0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1tqs n SER 703 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1tqs s PRO 704 N -3.60 2.82 -0.65 4.33 0.04 -1.26 -4.84 135.00 131.84 1tqs s PRO 704 Ca 0.57 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 1tqs s PRO 704 Cb -0.19 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.44 1tqs s PRO 704 CO 0.67 -1.26 1.14 -1.01 0.04 0.00 0.00 177.00 176.59 1tqs s HIS 705 N -2.12 2.53 -0.10 0.56 3.76 -1.26 -4.36 115.29 114.30 1tqs s HIS 705 Ca 0.70 -0.00 -0.30 0.00 -0.15 0.00 0.00 55.06 55.31 1tqs s HIS 705 Cb -0.23 -4.44 -0.02 0.00 1.11 0.00 0.00 32.58 29.00 1tqs s HIS 705 CO 0.39 -1.74 1.11 0.08 -0.85 0.00 0.00 174.74 173.73 1tqs s VAL 706 N 4.92 4.50 0.05 -0.90 1.01 -0.02 -4.79 120.40 125.17 1tqs s VAL 706 Ca 0.34 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.82 1tqs s VAL 706 Cb -0.10 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 1tqs s VAL 706 CO 0.18 -0.02 1.79 -2.84 0.00 0.00 0.00 175.10 174.21 1tqs s PRO 707 N 2.28 4.16 -0.23 2.72 0.02 -1.26 -1.56 135.00 141.13 1tqs s PRO 707 Ca 0.52 2.45 -0.03 0.00 0.02 0.00 0.00 61.00 63.96 1tqs s PRO 707 Cb -0.21 -3.85 0.11 0.00 0.02 0.00 0.00 34.50 30.57 1tqs s PRO 707 CO 0.19 -0.85 0.28 0.08 -0.33 0.00 0.00 177.00 176.37 1tqs s VAL 708 N 3.50 -0.42 -0.15 3.83 1.01 -0.62 -4.15 120.40 123.41 1tqs s VAL 708 Ca 0.80 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1tqs s VAL 708 Cb -0.41 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1tqs s VAL 708 CO 0.36 -0.24 -0.19 -1.00 0.00 0.00 0.00 175.10 174.02 1tqs s HIS 709 N 2.39 2.72 0.19 5.22 3.76 -0.40 -2.89 115.29 126.28 1tqs s HIS 709 Ca 0.09 -1.25 -0.23 0.00 -0.15 0.00 0.00 55.06 53.52 1tqs s HIS 709 Cb -0.15 -1.85 -0.08 0.00 1.11 0.00 0.00 32.58 31.61 1tqs s HIS 709 CO -0.18 -0.57 0.76 -0.06 -0.85 0.00 0.00 174.74 173.83 1tqs s PHE 710 N 0.84 3.78 -0.08 1.40 2.99 -0.96 -0.75 117.98 125.20 1tqs s PHE 710 Ca -0.06 1.53 -0.09 0.00 0.00 0.00 0.00 56.93 58.31 1tqs s PHE 710 Cb -0.15 -2.70 0.02 0.00 0.00 0.00 0.00 43.02 40.19 1tqs s PHE 710 CO -0.02 0.43 0.26 0.21 -0.00 0.00 0.00 175.22 176.09 1tqs s LYS 711 N -1.54 0.35 -0.13 0.44 2.20 -0.07 -4.75 119.74 116.24 1tqs s LYS 711 Ca 0.39 0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 56.22 1tqs s LYS 711 Cb -0.20 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.25 1tqs s LYS 711 CO 0.24 -0.05 0.01 -0.06 -0.36 0.00 0.00 175.35 175.12 1tqs s PHE 712 N -0.10 3.17 0.26 4.03 0.40 -1.26 -0.52 117.98 123.95 1tqs s PHE 712 Ca -0.02 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1tqs s PHE 712 Cb -0.03 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 1tqs s PHE 712 CO 0.01 0.26 0.11 -0.51 0.70 0.00 0.00 175.22 175.79 1tqs s LEU 713 N -0.23 1.60 -0.02 -0.37 1.02 -0.51 -1.37 118.68 118.80 1tqs s LEU 713 Ca 0.06 -1.40 0.03 0.00 0.02 0.00 0.00 54.13 52.84 1tqs s LEU 713 Cb -0.12 0.07 -0.00 0.00 0.02 0.00 0.00 46.19 46.15 1tqs s LEU 713 CO 0.02 -0.76 -0.10 -1.59 0.02 0.00 0.00 176.35 173.94 1tqs s LYS 714 N -4.02 0.95 0.06 1.70 -2.85 0.30 -1.23 119.74 114.65 1tqs s LYS 714 Ca 0.38 -0.37 0.01 0.00 -1.00 0.00 0.00 55.97 54.99 1tqs s LYS 714 Cb 0.07 -0.90 -0.04 0.00 -2.06 0.00 0.00 37.83 34.90 1tqs s LYS 714 CO 0.14 0.19 0.16 0.71 0.10 0.00 0.00 175.35 176.65 1tqs s TYR 715 N -0.07 3.41 0.00 1.78 1.51 0.06 -1.09 117.35 122.94 1tqs s TYR 715 Ca 0.01 0.20 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1tqs s TYR 715 Cb -0.06 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1tqs s TYR 715 CO 0.00 0.57 0.00 0.41 -1.11 0.00 0.00 175.55 175.42 1tqs n GLY 716 N 0.42 4.41 3.32 0.71 0.00 -1.26 -1.14 105.19 111.65 1tqs n GLY 716 Ca -0.07 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 1tqs n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tqs s VAL 717 N 0.77 1.79 0.29 1.61 1.01 -1.25 -3.23 120.40 121.39 1tqs s VAL 717 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 61.98 59.93 1tqs s VAL 717 Cb 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 1tqs s VAL 717 CO 0.00 -0.20 1.19 -0.13 0.00 0.00 0.00 175.10 175.96 1tqs s ARG 718 N -2.41 4.52 0.14 2.72 0.52 -1.25 -4.64 118.95 118.55 1tqs s ARG 718 Ca 0.12 1.97 0.25 0.00 -0.52 0.00 0.00 55.73 57.54 1tqs s ARG 718 Cb -0.08 -3.15 0.44 0.00 0.52 0.00 0.00 34.95 32.69 1tqs s ARG 718 CO 0.06 0.04 1.42 -1.13 0.02 0.00 0.00 175.30 175.71 1tqs n SER 719 N 1.15 0.74 -4.08 0.23 3.41 -1.26 -4.82 113.62 108.99 1tqs n SER 719 Ca -0.00 0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 1tqs n SER 719 Cb 0.44 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.21 1tqs n SER 719 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1tqs s HIS 720 N -3.15 0.61 0.00 7.33 0.00 -1.26 -5.10 115.29 113.71 1tqs s HIS 720 Ca 0.07 -0.75 0.00 0.00 -3.00 0.00 0.00 55.06 51.39 1tqs s HIS 720 Cb 0.13 -0.38 0.00 0.00 -4.00 0.00 0.00 32.58 28.32 1tqs s HIS 720 CO 0.69 -0.19 0.00 0.41 -1.00 0.00 0.00 174.74 174.65 1tqs n GLY 721 N 0.78 -1.78 3.75 -1.38 0.00 -1.26 -4.91 105.19 100.39 1tqs n GLY 721 Ca -0.18 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.85 1tqs n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tqs s ASP 722 N -4.00 7.21 -0.09 1.61 -0.00 -1.26 -4.99 116.67 115.15 1tqs s ASP 722 Ca 0.00 2.27 -0.05 0.00 -0.00 0.00 0.00 52.55 54.77 1tqs s ASP 722 Cb 0.00 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 1tqs s ASP 722 CO 0.00 -0.21 0.13 -0.13 -0.00 0.00 0.00 175.17 174.96 1tqs s ARG 723 N -1.15 3.37 0.60 8.23 0.52 -1.26 -4.59 118.95 124.67 1tqs s ARG 723 Ca 0.47 -0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 55.26 1tqs s ARG 723 Cb -0.32 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1tqs s ARG 723 CO 0.40 0.75 1.32 0.43 0.02 0.00 0.00 175.30 178.21 1tqs n SER 724 N 1.77 2.34 -0.14 0.23 7.64 -1.26 -4.55 113.62 119.64 1tqs n SER 724 Ca -0.18 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1tqs n SER 724 Cb 0.54 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1tqs n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tqs n GLY 725 N 0.85 3.71 0.35 0.23 0.00 -0.85 -4.52 105.19 104.97 1tqs n GLY 725 Ca 0.13 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.21 1tqs n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqs h ALA 726 N 1.61 1.98 0.01 4.61 0.00 -1.85 -3.22 119.26 122.40 1tqs h ALA 726 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1tqs h ALA 726 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1tqs h ALA 726 CO 0.00 -0.12 -1.56 0.66 0.00 0.00 0.00 179.25 178.24 1tqs n TYR 727 N -4.47 0.87 -3.57 0.00 4.02 -1.26 -2.81 117.16 109.94 1tqs n TYR 727 Ca 0.10 0.35 -0.38 0.00 -0.01 0.00 0.00 57.90 57.96 1tqs n TYR 727 Cb 0.36 -1.09 -0.06 0.00 -0.02 0.00 0.00 39.34 38.53 1tqs n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1tqs s LEU 728 N -7.71 4.43 -0.31 7.72 1.43 -1.22 -1.01 118.68 122.01 1tqs s LEU 728 Ca -0.30 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1tqs s LEU 728 Cb 0.07 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1tqs s LEU 728 CO 0.59 0.31 0.09 0.12 0.23 0.00 0.00 176.35 177.69 1tqs s PHE 729 N -0.88 3.19 -0.51 0.29 5.99 -1.15 -2.01 117.98 122.91 1tqs s PHE 729 Ca 0.22 -1.20 0.07 0.00 0.00 0.00 0.00 56.93 56.02 1tqs s PHE 729 Cb -0.15 -2.26 0.25 0.00 0.00 0.00 0.00 43.02 40.85 1tqs s PHE 729 CO 0.11 -0.65 0.62 1.28 -0.00 0.00 0.00 175.22 176.57 1tqs n LEU 730 N 4.84 1.83 -4.74 6.12 4.77 -1.26 -4.68 117.00 123.88 1tqs n LEU 730 Ca -0.14 -5.04 -0.35 0.00 -0.03 0.00 0.00 56.01 50.46 1tqs n LEU 730 Cb 0.46 0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1tqs n LEU 730 CO 0.31 2.06 0.81 -2.16 -1.33 0.00 0.00 177.39 177.09 1tqs s PRO 731 N -1.76 2.50 -1.16 3.23 0.04 -1.26 -3.97 135.00 132.63 1tqs s PRO 731 Ca 0.37 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 1tqs s PRO 731 Cb 0.16 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.94 1tqs s PRO 731 CO -0.07 -1.56 2.41 0.27 0.04 0.00 0.00 177.00 178.09 1tqs n ASN 732 N -2.27 7.75 0.00 6.66 6.94 -1.20 -4.78 115.26 128.36 1tqs n ASN 732 Ca 0.13 -3.19 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 1tqs n ASN 732 Cb 0.50 -1.32 0.00 0.00 -2.36 0.00 0.00 39.78 36.60 1tqs n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tqs n GLY 733 N 1.45 0.11 3.62 4.83 0.00 -1.26 -4.84 105.19 109.09 1tqs n GLY 733 Ca 0.59 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 1tqs n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tqs n PRO 734 N -0.03 0.34 -1.81 1.61 -0.02 -1.26 -4.81 135.00 129.02 1tqs n PRO 734 Ca 0.00 0.18 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 1tqs n PRO 734 Cb 0.00 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1tqs n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tqs s ALA 735 N -1.96 2.42 -0.05 3.55 0.00 -1.26 -4.94 121.76 119.52 1tqs s ALA 735 Ca 0.72 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1tqs s ALA 735 Cb -0.32 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 1tqs s ALA 735 CO 0.52 -1.35 -0.03 -1.12 0.00 0.00 0.00 175.76 173.78 1tqs s SER 736 N -2.02 4.91 0.41 0.00 0.01 -0.25 -4.85 113.70 111.91 1tqs s SER 736 Ca 0.73 0.01 -0.27 0.00 1.31 0.00 0.00 55.95 57.74 1tqs s SER 736 Cb -0.26 -1.28 -0.09 0.00 0.21 0.00 0.00 66.02 64.60 1tqs s SER 736 CO 0.38 0.34 1.41 -2.84 0.41 0.00 0.00 173.24 172.94 1tqs s PRO 737 N -1.08 3.93 0.19 12.44 0.02 -1.26 -0.54 135.00 148.71 1tqs s PRO 737 Ca 0.15 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 1tqs s PRO 737 Cb -0.11 -2.81 -0.09 0.00 0.02 0.00 0.00 34.50 31.51 1tqs s PRO 737 CO 0.04 -0.61 1.31 0.08 -0.33 0.00 0.00 177.00 177.50 1tqs s VAL 738 N -1.18 3.25 -0.24 3.83 1.01 -0.48 -4.77 120.40 121.82 1tqs s VAL 738 Ca 0.57 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 1tqs s VAL 738 Cb -0.43 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1tqs s VAL 738 CO 0.57 0.14 1.26 -1.61 0.00 0.00 0.00 175.10 175.45 1tqs s GLU 739 N 0.02 4.07 0.21 2.72 0.41 -1.26 -4.92 118.70 119.96 1tqs s GLU 739 Ca 0.57 1.41 0.23 0.00 -0.41 0.00 0.00 54.97 56.77 1tqs s GLU 739 Cb -0.36 -3.81 0.14 0.00 -1.78 0.00 0.00 34.13 28.32 1tqs s GLU 739 CO 0.37 -0.91 1.19 -0.07 -0.49 0.00 0.00 175.26 175.35 1tqs h LEU 740 N 10.28 0.00 0.00 1.80 3.38 -1.98 -3.44 115.31 125.35 1tqs h LEU 740 Ca -0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1tqs h LEU 740 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1tqs h LEU 740 CO 1.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.17 1tqs n GLY 741 N 1.21 1.40 2.94 0.83 0.00 -1.26 -3.80 105.19 106.51 1tqs n GLY 741 Ca 0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1tqs n GLY 741 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tqs s GLN 742 N 0.00 2.49 0.68 1.61 -0.21 -1.26 -5.10 119.66 117.87 1tqs s GLN 742 Ca 0.00 -3.18 -0.16 0.00 0.02 0.00 0.00 55.36 52.05 1tqs s GLN 742 Cb 0.00 -3.49 0.01 0.00 1.00 0.00 0.00 33.01 30.53 1tqs s GLN 742 CO 0.00 -1.25 1.16 -1.25 -2.12 0.00 0.00 175.29 171.83 1tqs s PRO 743 N -1.18 2.57 0.02 2.91 0.04 -1.25 -4.92 135.00 133.19 1tqs s PRO 743 Ca 0.23 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1tqs s PRO 743 Cb -0.09 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1tqs s PRO 743 CO -0.12 -1.47 0.92 0.08 0.04 0.00 0.00 177.00 176.45 1tqs s VAL 744 N -2.10 4.81 -0.12 -0.36 1.01 -1.26 -4.82 120.40 117.56 1tqs s VAL 744 Ca 0.71 1.94 0.03 0.00 0.00 0.00 0.00 61.98 64.66 1tqs s VAL 744 Cb -0.25 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1tqs s VAL 744 CO 0.41 0.22 -0.22 -0.69 0.00 0.00 0.00 175.10 174.83 1tqs s VAL 745 N 0.70 2.22 -0.19 2.92 1.01 -0.72 -2.33 120.40 124.02 1tqs s VAL 745 Ca 0.48 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1tqs s VAL 745 Cb -0.21 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1tqs s VAL 745 CO 0.27 0.55 -0.07 -0.22 0.00 0.00 0.00 175.10 175.62 1tqs s LEU 746 N 0.51 2.83 -0.20 3.92 2.96 0.57 -0.37 118.68 128.90 1tqs s LEU 746 Ca -0.14 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1tqs s LEU 746 Cb -0.17 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1tqs s LEU 746 CO 0.05 0.04 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.38 1tqs s VAL 747 N 1.08 3.43 -0.17 1.68 1.01 0.26 -0.82 120.40 126.88 1tqs s VAL 747 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1tqs s VAL 747 Cb -0.15 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 1tqs s VAL 747 CO -0.01 0.45 -0.12 -0.89 0.00 0.00 0.00 175.10 174.53 1tqs s THR 748 N 1.11 2.96 -0.18 3.92 2.01 -0.09 -0.47 115.64 124.91 1tqs s THR 748 Ca 0.01 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1tqs s THR 748 Cb -0.15 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1tqs s THR 748 CO -0.01 0.49 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.48 1tqs s LYS 749 N 0.89 3.01 0.18 4.92 2.20 0.03 -0.57 119.74 130.40 1tqs s LYS 749 Ca -0.03 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1tqs s LYS 749 Cb -0.15 -2.59 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 1tqs s LYS 749 CO -0.00 -0.21 0.05 0.20 -0.36 0.00 0.00 175.35 175.04 1tqs s GLY 750 N 1.29 1.29 0.21 5.54 0.00 -1.01 -0.78 107.32 113.86 1tqs s GLY 750 Ca 0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 1tqs s GLY 750 CO -0.12 -1.48 1.58 1.70 0.00 0.00 0.00 173.10 174.78 1tqs h LYS 751 N 2.67 0.63 0.00 2.90 3.64 -1.97 -3.33 116.57 121.12 1tqs h LYS 751 Ca -0.36 -0.31 -0.35 0.00 -1.27 0.00 0.00 60.65 58.35 1tqs h LYS 751 Cb 1.22 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1tqs h LYS 751 CO 0.60 0.91 -2.17 1.28 -2.27 0.00 0.00 179.45 177.79 1tqs n LEU 752 N -4.04 0.57 -3.72 5.20 4.77 -1.26 -4.52 117.00 114.00 1tqs n LEU 752 Ca -0.02 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1tqs n LEU 752 Cb 0.51 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.73 1tqs n LEU 752 CO 0.45 0.51 0.02 -0.70 -1.33 0.00 0.00 177.39 176.34 1tqs s GLU 753 N -2.53 0.37 0.23 3.23 2.12 -1.25 -4.49 118.70 116.38 1tqs s GLU 753 Ca -0.11 0.66 0.06 0.00 0.36 0.00 0.00 54.97 55.94 1tqs s GLU 753 Cb 0.07 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.43 1tqs s GLU 753 CO 0.81 -0.13 -0.07 -1.12 -0.54 0.00 0.00 175.26 174.22 1tqs s SER 754 N 1.03 2.28 0.03 -1.70 0.01 -0.46 -2.39 113.70 112.50 1tqs s SER 754 Ca -0.07 -1.14 -0.25 0.00 1.31 0.00 0.00 55.95 55.81 1tqs s SER 754 Cb -0.07 -0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.14 1tqs s SER 754 CO -0.08 -0.36 0.58 -0.55 0.41 0.00 0.00 173.24 173.24 1tqs s SER 755 N -3.33 -0.53 -0.11 2.44 0.15 0.27 -0.56 113.70 112.03 1tqs s SER 755 Ca 0.26 0.32 0.02 0.00 0.70 0.00 0.00 55.95 57.24 1tqs s SER 755 Cb 0.03 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1tqs s SER 755 CO 0.08 -0.72 -0.15 -0.69 1.20 0.00 0.00 173.24 172.97 1tqs s VAL 756 N -2.22 1.45 -0.01 4.45 1.01 -0.21 -0.91 120.40 123.96 1tqs s VAL 756 Ca -0.06 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1tqs s VAL 756 Cb -0.01 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1tqs s VAL 756 CO 0.00 0.43 -0.18 -0.44 0.00 0.00 0.00 175.10 174.92 1tqs s SER 757 N 1.04 2.09 -0.01 3.32 0.01 -0.00 -0.87 113.70 119.29 1tqs s SER 757 Ca -0.06 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1tqs s SER 757 Cb -0.15 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1tqs s SER 757 CO -0.02 0.21 -0.01 0.54 0.41 0.00 0.00 173.24 174.36 1tqs s VAL 758 N -0.47 0.10 -0.73 3.43 0.11 -0.06 -0.32 120.40 122.47 1tqs s VAL 758 Ca 0.07 -0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.90 1tqs s VAL 758 Cb -0.07 -0.11 0.11 0.00 -1.53 0.00 0.00 36.38 34.78 1tqs s VAL 758 CO -0.00 0.05 0.90 -0.83 -3.33 0.00 0.00 175.10 171.88 1tqs s GLY 759 N 0.17 1.79 0.30 6.54 0.00 -0.98 -1.30 107.32 113.84 1tqs s GLY 759 Ca -0.01 -2.37 0.05 0.00 0.00 0.00 0.00 44.72 42.39 1tqs s GLY 759 CO -0.00 1.80 0.44 1.08 0.00 0.00 0.00 173.10 176.42 1tqs s LEU 760 N 2.84 4.09 0.12 0.66 1.43 -0.08 -4.42 118.68 123.34 1tqs s LEU 760 Ca 0.21 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 52.97 1tqs s LEU 760 Cb -0.16 -2.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.12 1tqs s LEU 760 CO 0.01 -0.30 1.75 -2.84 0.23 0.00 0.00 176.35 175.20 1tqs s PRO 761 N -4.13 4.16 0.00 1.29 0.02 -1.26 -1.90 135.00 133.18 1tqs s PRO 761 Ca 0.41 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1tqs s PRO 761 Cb -0.09 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1tqs s PRO 761 CO 0.31 -0.78 0.00 0.43 -0.33 0.00 0.00 177.00 176.63 1tqs n SER 762 N 5.28 0.00 -3.69 2.53 7.64 -1.26 -4.97 113.62 119.15 1tqs n SER 762 Ca 0.17 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.93 1tqs n SER 762 Cb 0.38 -1.31 -0.12 0.00 -1.01 0.00 0.00 64.21 62.15 1tqs n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1tqs s VAL 763 N -2.35 -0.26 -0.35 0.44 1.01 -0.80 -0.76 120.40 117.33 1tqs s VAL 763 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 1tqs s VAL 763 Cb 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1tqs s VAL 763 CO 0.00 0.08 0.50 -0.69 0.00 0.00 0.00 175.10 174.99 1tqs s VAL 764 N 1.90 5.03 -0.19 2.92 1.01 -0.27 -0.90 120.40 129.90 1tqs s VAL 764 Ca -0.05 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1tqs s VAL 764 Cb -0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1tqs s VAL 764 CO -0.10 -0.21 0.06 -2.28 0.00 0.00 0.00 175.10 172.57 1tqs s HIS 765 N 2.37 3.21 -0.04 5.22 5.04 -0.42 -0.76 115.29 129.91 1tqs s HIS 765 Ca 0.18 -0.01 0.02 0.00 -1.54 0.00 0.00 55.06 53.71 1tqs s HIS 765 Cb -0.16 -2.09 0.01 0.00 0.04 0.00 0.00 32.58 30.38 1tqs s HIS 765 CO 0.13 0.08 -0.09 -1.14 -2.34 0.00 0.00 174.74 171.38 1tqs s GLN 766 N 0.52 1.09 -0.22 2.88 0.74 0.10 -0.88 119.66 123.89 1tqs s GLN 766 Ca 0.03 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.11 1tqs s GLN 766 Cb -0.13 -1.00 0.00 0.00 1.10 0.00 0.00 33.01 32.99 1tqs s GLN 766 CO 0.01 0.08 -0.08 0.99 -0.55 0.00 0.00 175.29 175.74 1tqs s THR 767 N 0.37 3.02 -0.09 -0.34 2.01 -0.05 -1.05 115.64 119.51 1tqs s THR 767 Ca -0.06 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1tqs s THR 767 Cb -0.11 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1tqs s THR 767 CO 0.01 0.41 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 1tqs s ILE 768 N 1.41 3.10 -0.11 1.82 1.01 0.80 -1.05 121.20 128.18 1tqs s ILE 768 Ca 0.05 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1tqs s ILE 768 Cb -0.14 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1tqs s ILE 768 CO -0.06 0.55 -0.20 -0.04 0.00 0.00 0.00 174.94 175.20 1tqs s MET 769 N -0.14 2.68 -0.02 2.79 -1.94 0.28 -0.76 119.30 122.19 1tqs s MET 769 Ca -0.01 -0.74 0.03 0.00 -1.71 0.00 0.00 55.69 53.27 1tqs s MET 769 Cb -0.14 -2.15 0.05 0.00 2.01 0.00 0.00 34.83 34.61 1tqs s MET 769 CO 0.03 0.03 0.90 0.54 -0.01 0.00 0.00 175.02 176.51 1tqs n ARG 770 N 3.93 1.68 0.00 2.03 1.74 -1.26 -1.35 116.66 123.43 1tqs n ARG 770 Ca -0.20 -1.38 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 1tqs n ARG 770 Cb 0.52 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 1tqs n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tqs n GLY 771 N -0.49 1.98 0.00 -0.13 0.00 -1.26 -4.89 105.19 100.41 1tqs n GLY 771 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1tqs n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tqs n GLY 772 N -0.20 5.27 3.72 -0.02 0.00 -1.26 -3.42 105.19 109.28 1tqs n GLY 772 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1tqs n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqs n ALA 773 N -3.00 1.69 -1.28 4.61 0.00 -1.26 -4.58 120.51 116.68 1tqs n ALA 773 Ca 0.00 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.49 1tqs n ALA 773 Cb 0.00 -2.33 0.09 0.00 0.00 0.00 0.00 19.45 17.21 1tqs n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1tqs s PRO 774 N -1.46 2.27 -0.15 0.00 0.04 -1.24 -4.79 135.00 129.69 1tqs s PRO 774 Ca 0.58 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 1tqs s PRO 774 Cb -0.55 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1tqs s PRO 774 CO 0.58 -1.65 0.09 -2.00 0.04 0.00 0.00 177.00 174.06 1tqs s GLU 775 N -4.54 3.65 -0.12 4.56 2.12 0.06 -1.66 118.70 122.78 1tqs s GLU 775 Ca 0.65 -0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.70 1tqs s GLU 775 Cb -0.20 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1tqs s GLU 775 CO 0.51 0.53 -0.06 0.42 -0.54 0.00 0.00 175.26 176.12 1tqs s ILE 776 N -0.34 3.76 -0.07 -3.70 -1.09 -0.22 -0.14 121.20 119.40 1tqs s ILE 776 Ca 0.10 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1tqs s ILE 776 Cb -0.12 -2.60 0.01 0.00 -1.58 0.00 0.00 42.46 38.17 1tqs s ILE 776 CO 0.01 0.54 -0.15 -0.13 -1.23 0.00 0.00 174.94 173.98 1tqs s ARG 777 N -0.15 2.03 -0.15 2.79 0.52 -0.21 -0.71 118.95 123.06 1tqs s ARG 777 Ca 0.02 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1tqs s ARG 777 Cb -0.13 -1.63 0.01 0.00 0.52 0.00 0.00 34.95 33.73 1tqs s ARG 777 CO 0.03 0.08 -0.21 -0.80 0.02 0.00 0.00 175.30 174.42 1tqs s ASN 778 N 0.55 3.18 -0.50 0.23 0.01 -0.08 -0.73 114.94 117.61 1tqs s ASN 778 Ca -0.15 -0.60 -0.19 0.00 -0.71 0.00 0.00 52.86 51.21 1tqs s ASN 778 Cb -0.16 -1.47 0.06 0.00 0.41 0.00 0.00 41.25 40.09 1tqs s ASN 778 CO 0.05 0.06 0.61 -0.22 -1.51 0.00 0.00 177.10 176.09 1tqs s LEU 779 N 0.95 5.01 -0.28 0.60 2.96 0.06 -0.82 118.68 127.17 1tqs s LEU 779 Ca -0.03 -0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 52.84 1tqs s LEU 779 Cb -0.15 -2.43 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1tqs s LEU 779 CO -0.05 -0.88 0.14 -0.69 -1.32 0.00 0.00 176.35 173.55 1tqs s VAL 780 N 2.56 4.72 -0.40 1.68 1.01 0.32 -1.11 120.40 129.18 1tqs s VAL 780 Ca 0.14 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1tqs s VAL 780 Cb -0.20 -3.29 0.13 0.00 0.00 0.00 0.00 36.38 33.02 1tqs s VAL 780 CO 0.12 0.22 0.20 -0.62 0.00 0.00 0.00 175.10 175.01 1tqs s ASP 781 N 1.66 3.66 0.00 3.32 3.68 0.06 -1.94 116.67 127.10 1tqs s ASP 781 Ca 0.06 -2.35 0.13 0.00 2.13 0.00 0.00 52.55 52.52 1tqs s ASP 781 Cb -0.16 -0.92 0.56 0.00 -1.45 0.00 0.00 42.92 40.94 1tqs s ASP 781 CO 0.07 -0.31 1.42 0.00 0.13 0.00 0.00 175.17 176.48 1tqs n ILE 782 N 3.90 1.10 -0.29 4.11 3.06 -1.26 -4.36 119.36 125.62 1tqs n ILE 782 Ca 0.07 0.27 0.00 0.00 -2.50 0.00 0.00 62.75 60.59 1tqs n ILE 782 Cb 0.36 -1.05 0.00 0.00 0.54 0.00 0.00 39.64 39.49 1tqs n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1tqs n GLY 783 N -0.15 3.53 1.43 4.50 0.00 -1.26 -2.09 105.19 111.15 1tqs n GLY 783 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1tqs n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tqs n SER 784 N 4.58 3.64 -4.57 1.61 3.41 -1.26 -4.90 113.62 116.13 1tqs n SER 784 Ca 0.00 -3.40 -0.34 0.00 -0.26 0.00 0.00 58.87 54.86 1tqs n SER 784 Cb 0.00 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 1tqs n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1tqs s LEU 785 N -3.07 3.37 0.55 1.04 1.43 -0.89 -4.96 118.68 116.15 1tqs s LEU 785 Ca 0.48 -1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 1tqs s LEU 785 Cb 0.41 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 1tqs s LEU 785 CO 0.07 -2.11 1.14 -1.81 0.23 0.00 0.00 176.35 173.87 1tqs s ASP 786 N 6.15 5.63 -1.33 2.29 1.11 -1.26 -3.47 116.67 125.79 1tqs s ASP 786 Ca 0.59 2.22 -0.00 0.00 0.18 0.00 0.00 52.55 55.53 1tqs s ASP 786 Cb -0.02 -2.58 -0.00 0.00 1.07 0.00 0.00 42.92 41.39 1tqs s ASP 786 CO -0.01 -1.28 0.62 0.59 1.18 0.00 0.00 175.17 176.27 1tqs n ASN 787 N -1.35 -0.99 -3.96 0.27 3.02 0.32 -4.98 115.26 107.59 1tqs n ASN 787 Ca 0.12 -0.87 -0.16 0.00 -0.03 0.00 0.00 54.58 53.63 1tqs n ASN 787 Cb 0.51 -3.77 -0.14 0.00 -0.61 0.00 0.00 39.78 35.76 1tqs n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1tqs s THR 788 N -3.75 0.43 -0.12 3.41 2.01 -0.52 -3.96 115.64 113.14 1tqs s THR 788 Ca 0.01 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1tqs s THR 788 Cb -0.00 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.15 1tqs s THR 788 CO 0.83 0.12 -0.17 -1.61 -0.69 0.00 0.00 174.62 173.10 1tqs s GLU 789 N -0.11 2.45 -0.20 4.92 2.02 -0.29 -1.07 118.70 126.41 1tqs s GLU 789 Ca 0.02 -0.65 -0.14 0.00 0.02 0.00 0.00 54.97 54.22 1tqs s GLU 789 Cb -0.02 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1tqs s GLU 789 CO -0.00 -0.04 0.33 0.42 0.02 0.00 0.00 175.26 175.99 1tqs s ILE 790 N 0.91 5.26 -0.00 -1.63 1.01 -0.39 -0.76 121.20 125.59 1tqs s ILE 790 Ca -0.07 0.57 0.06 0.00 0.00 0.00 0.00 60.65 61.21 1tqs s ILE 790 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1tqs s ILE 790 CO -0.01 0.30 -0.20 0.54 0.00 0.00 0.00 174.94 175.58 1tqs s VAL 791 N 1.04 2.63 -0.25 2.92 0.11 -0.37 -0.21 120.40 126.28 1tqs s VAL 791 Ca 0.16 -1.04 -0.09 0.00 -2.93 0.00 0.00 61.98 58.09 1tqs s VAL 791 Cb -0.14 -2.03 -0.04 0.00 -1.53 0.00 0.00 36.38 32.64 1tqs s VAL 791 CO 0.06 0.48 0.12 -0.32 -3.33 0.00 0.00 175.10 172.11 1tqs s MET 792 N -0.99 3.84 0.04 1.54 1.75 -0.24 -1.43 119.30 123.82 1tqs s MET 792 Ca 0.12 -0.39 0.07 0.00 -1.25 0.00 0.00 55.69 54.25 1tqs s MET 792 Cb -0.10 -3.44 -0.03 0.00 2.84 0.00 0.00 34.83 34.10 1tqs s MET 792 CO 0.02 -0.09 -0.18 0.50 -0.65 0.00 0.00 175.02 174.62 1tqs s ARG 793 N 1.42 2.06 -0.18 4.11 3.52 0.32 -0.86 118.95 129.34 1tqs s ARG 793 Ca 0.06 -0.99 -0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1tqs s ARG 793 Cb -0.15 -2.19 -0.02 0.00 -1.56 0.00 0.00 34.95 31.04 1tqs s ARG 793 CO 0.06 0.54 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.53 1tqs s LEU 794 N -1.47 3.08 -0.20 -0.88 1.43 0.66 -0.89 118.68 120.41 1tqs s LEU 794 Ca 0.15 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1tqs s LEU 794 Cb -0.10 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1tqs s LEU 794 CO 0.05 0.10 -0.06 -1.61 0.23 0.00 0.00 176.35 175.06 1tqs s GLU 795 N 0.79 3.40 0.38 1.70 2.02 0.07 -1.60 118.70 125.44 1tqs s GLU 795 Ca -0.02 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.38 1tqs s GLU 795 Cb -0.15 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1tqs s GLU 795 CO 0.02 -0.08 0.15 0.95 0.02 0.00 0.00 175.26 176.31 1tqs s THR 796 N 1.16 0.52 -0.75 3.63 -4.23 -0.32 -1.27 115.64 114.38 1tqs s THR 796 Ca 0.02 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.68 1tqs s THR 796 Cb -0.14 -2.42 0.52 0.00 1.34 0.00 0.00 72.50 71.79 1tqs s THR 796 CO -0.01 0.00 1.43 1.41 -0.54 0.00 0.00 174.62 176.91 1tqs n HIS 797 N -0.80 0.96 -1.73 3.99 8.25 -1.26 -4.56 115.22 120.07 1tqs n HIS 797 Ca -0.03 -0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 56.35 1tqs n HIS 797 Cb 0.65 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 1tqs n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1tqs n ILE 798 N 0.39 0.34 -2.00 1.59 5.41 -1.26 -4.87 119.36 118.95 1tqs n ILE 798 Ca 0.19 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.44 1tqs n ILE 798 Cb 0.73 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 1tqs n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1tqs n ASP 799 N 3.36 5.02 0.18 4.38 4.64 -1.26 -2.52 116.55 130.35 1tqs n ASP 799 Ca 0.14 -2.97 0.12 0.00 -1.38 0.00 0.00 54.79 50.69 1tqs n ASP 799 Cb 0.35 -1.55 0.16 0.00 -1.04 0.00 0.00 41.12 39.05 1tqs n ASP 799 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1tqs h SER 800 N 5.72 0.00 0.00 1.67 4.64 -1.90 -3.41 113.55 120.27 1tqs h SER 800 Ca 0.52 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1tqs h SER 800 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1tqs h SER 800 CO 1.73 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.31 1tqs n GLY 801 N 1.15 2.97 0.74 -0.77 0.00 -1.26 -2.11 105.19 105.91 1tqs n GLY 801 Ca 0.03 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1tqs n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tqs n ASP 802 N 8.32 3.35 -4.72 1.61 3.85 -1.26 -3.09 116.55 124.60 1tqs n ASP 802 Ca 0.00 -2.47 -0.35 0.00 -0.71 0.00 0.00 54.79 51.26 1tqs n ASP 802 Cb 0.00 -0.37 -0.09 0.00 -1.35 0.00 0.00 41.12 39.31 1tqs n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1tqs s ILE 803 N -1.85 4.51 0.26 2.12 -1.09 -0.90 0.01 121.20 124.26 1tqs s ILE 803 Ca 0.31 -0.23 -0.12 0.00 -2.23 0.00 0.00 60.65 58.38 1tqs s ILE 803 Cb 0.22 -2.94 -0.00 0.00 -1.58 0.00 0.00 42.46 38.16 1tqs s ILE 803 CO 0.12 0.56 0.49 0.72 -1.23 0.00 0.00 174.94 175.60 1tqs s PHE 804 N -0.95 0.40 -0.02 3.97 -0.12 -0.77 -4.73 117.98 115.76 1tqs s PHE 804 Ca 0.15 -0.76 0.04 0.00 -0.05 0.00 0.00 56.93 56.30 1tqs s PHE 804 Cb -0.11 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.46 1tqs s PHE 804 CO 0.04 -1.02 -0.12 0.71 -0.05 0.00 0.00 175.22 174.79 1tqs s TYR 805 N -3.91 1.11 0.10 3.49 1.51 -0.13 -0.04 117.35 119.48 1tqs s TYR 805 Ca 0.23 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1tqs s TYR 805 Cb -0.01 -0.73 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1tqs s TYR 805 CO 0.10 -0.05 -0.09 0.95 -1.11 0.00 0.00 175.55 175.35 1tqs s THR 806 N -0.15 0.90 0.44 -0.71 -4.23 -0.92 -0.97 115.64 110.00 1tqs s THR 806 Ca 0.02 -1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1tqs s THR 806 Cb -0.06 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 1tqs s THR 806 CO -0.00 -0.64 0.69 1.51 -0.54 0.00 0.00 174.62 175.64 1tqs s ASP 807 N -2.61 6.03 -0.28 3.99 3.84 -0.89 -0.77 116.67 125.98 1tqs s ASP 807 Ca 0.07 0.52 -0.00 0.00 -0.00 0.00 0.00 52.55 53.14 1tqs s ASP 807 Cb -0.01 -1.85 0.05 0.00 -1.38 0.00 0.00 42.92 39.73 1tqs s ASP 807 CO -0.01 -0.60 -0.05 -0.76 -0.00 0.00 0.00 175.17 173.75 1tqs s LEU 808 N -4.58 3.60 -1.56 2.11 1.43 0.52 -4.37 118.68 115.82 1tqs s LEU 808 Ca 0.46 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1tqs s LEU 808 Cb -0.10 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1tqs s LEU 808 CO 0.40 -0.21 0.00 0.59 0.23 0.00 0.00 176.35 177.36 1tqs n ASN 809 N 4.58 -4.85 0.00 2.29 4.13 -1.26 -0.88 115.26 119.27 1tqs n ASN 809 Ca -0.14 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1tqs n ASN 809 Cb 0.44 -4.16 0.00 0.00 -1.54 0.00 0.00 39.78 34.52 1tqs n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tqs n GLY 810 N -0.74 0.32 0.07 7.41 0.00 -1.26 -0.64 105.19 110.35 1tqs n GLY 810 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1tqs n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1tqs n LEU 811 N 0.00 1.25 -3.57 0.99 7.94 -0.06 -4.91 117.00 118.63 1tqs n LEU 811 Ca 0.00 -0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.72 1tqs n LEU 811 Cb 0.19 -0.06 -0.05 0.00 0.53 0.00 0.00 43.42 44.03 1tqs n LEU 811 CO 0.00 0.51 0.29 0.00 -1.11 0.00 0.00 177.39 177.08 1tqs s GLN 812 N -2.32 1.04 -0.16 1.96 -2.07 -1.19 -5.00 119.66 111.91 1tqs s GLN 812 Ca -0.13 -0.23 -0.06 0.00 -1.82 0.00 0.00 55.36 53.13 1tqs s GLN 812 Cb 0.05 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 1tqs s GLN 812 CO 0.46 -0.38 0.03 -0.06 -1.32 0.00 0.00 175.29 174.02 1tqs s PHE 813 N -2.45 3.18 -0.04 9.60 0.40 -1.26 -0.35 117.98 127.06 1tqs s PHE 813 Ca -0.05 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 1tqs s PHE 813 Cb -0.01 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1tqs s PHE 813 CO -0.02 0.13 -0.17 -1.50 0.70 0.00 0.00 175.22 174.36 1tqs s ILE 814 N 0.24 2.81 0.13 0.64 2.07 0.05 -2.00 121.20 125.12 1tqs s ILE 814 Ca 0.02 -0.85 -0.31 0.00 -1.41 0.00 0.00 60.65 58.11 1tqs s ILE 814 Cb -0.13 -2.08 -0.07 0.00 0.13 0.00 0.00 42.46 40.31 1tqs s ILE 814 CO 0.01 0.57 1.27 -0.75 -1.91 0.00 0.00 174.94 174.13 1tqs s LYS 815 N -0.75 4.41 0.09 3.50 2.20 -0.25 -2.17 119.74 126.77 1tqs s LYS 815 Ca 0.11 1.92 0.07 0.00 -0.36 0.00 0.00 55.97 57.71 1tqs s LYS 815 Cb -0.10 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1tqs s LYS 815 CO 0.00 -0.27 -0.11 1.03 -0.36 0.00 0.00 175.35 175.65 1tqs s ARG 816 N 0.60 2.14 -0.11 4.03 1.81 0.95 -4.96 118.95 123.40 1tqs s ARG 816 Ca 0.59 -1.01 0.01 0.00 -1.72 0.00 0.00 55.73 53.60 1tqs s ARG 816 Cb -0.33 -2.30 0.02 0.00 -0.45 0.00 0.00 34.95 31.88 1tqs s ARG 816 CO 0.32 0.51 -0.12 0.50 -0.68 0.00 0.00 175.30 175.84 1tqs s ARG 817 N -2.11 1.86 0.16 3.54 3.52 -1.26 -1.85 118.95 122.82 1tqs s ARG 817 Ca 0.21 -0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 55.08 1tqs s ARG 817 Cb -0.11 -1.71 -0.09 0.00 -1.56 0.00 0.00 34.95 31.48 1tqs s ARG 817 CO 0.13 -0.15 1.49 0.50 -0.81 0.00 0.00 175.30 176.46 1tqs s ARG 818 N 1.27 4.26 -0.25 5.12 3.52 0.10 -4.99 118.95 127.98 1tqs s ARG 818 Ca -0.02 2.26 0.02 0.00 -0.13 0.00 0.00 55.73 57.85 1tqs s ARG 818 Cb -0.14 -3.18 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 1tqs s ARG 818 CO -0.04 -0.52 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.31 1tqs s LEU 819 N 0.88 3.24 0.00 -0.88 1.43 -1.26 -4.92 118.68 117.17 1tqs s LEU 819 Ca 0.66 -1.20 0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1tqs s LEU 819 Cb -0.41 -1.56 0.93 0.00 0.03 0.00 0.00 46.19 45.18 1tqs s LEU 819 CO 0.33 -0.16 1.68 0.47 0.23 0.00 0.00 176.35 178.90 1tqs n ASP 820 N 4.51 0.00 0.00 2.29 8.00 -1.26 -1.71 116.55 128.38 1tqs n ASP 820 Ca -0.15 0.40 0.12 0.00 0.71 0.00 0.00 54.79 55.87 1tqs n ASP 820 Cb 0.44 -0.46 0.55 0.00 -0.02 0.00 0.00 41.12 41.63 1tqs n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1tqs n LYS 821 N -1.46 0.05 -4.19 -1.24 2.85 -1.26 -4.74 118.16 108.16 1tqs n LYS 821 Ca 0.06 0.07 -0.27 0.00 -1.05 0.00 0.00 58.31 57.12 1tqs n LYS 821 Cb 0.23 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.04 1tqs n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1tqs s LEU 822 N -2.95 3.34 0.89 -5.58 1.43 -0.69 -5.06 118.68 110.06 1tqs s LEU 822 Ca 0.14 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1tqs s LEU 822 Cb 0.16 -2.00 0.12 0.00 0.03 0.00 0.00 46.19 44.51 1tqs s LEU 822 CO 0.45 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 176.06 1tqs s PRO 823 N -2.87 1.31 0.23 1.29 0.04 -1.26 -4.89 135.00 128.85 1tqs s PRO 823 Ca 0.27 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.10 1tqs s PRO 823 Cb -0.10 -1.81 0.38 0.00 0.04 0.00 0.00 34.50 33.01 1tqs s PRO 823 CO 0.19 -2.22 1.65 1.25 0.04 0.00 0.00 177.00 177.90 1tqs h LEU 824 N -1.53 -0.32 -2.03 -3.56 6.46 -1.96 -0.53 115.31 111.84 1tqs h LEU 824 Ca -0.49 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1tqs h LEU 824 Cb 1.28 0.31 -0.00 0.00 -0.73 0.00 0.00 40.66 41.52 1tqs h LEU 824 CO 0.54 -0.15 -0.06 0.06 -0.62 0.00 0.00 178.44 178.21 1tqs h GLN 825 N 0.11 0.00 0.00 1.25 -0.00 -1.92 -0.82 115.11 113.73 1tqs h GLN 825 Ca 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.02 1tqs h GLN 825 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.12 1tqs h GLN 825 CO -0.61 0.06 -0.04 0.00 -0.00 0.00 0.00 178.83 178.23 1tqs h ALA 826 N 1.94 0.99 -0.02 0.06 0.00 -1.43 -3.10 119.26 117.70 1tqs h ALA 826 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tqs h ALA 826 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1tqs h ALA 826 CO 0.01 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1tqs n ASN 827 N -3.13 1.34 -4.78 0.00 3.02 -0.32 -4.59 115.26 106.80 1tqs n ASN 827 Ca 0.02 -1.45 -0.39 0.00 -0.03 0.00 0.00 54.58 52.73 1tqs n ASN 827 Cb 0.43 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 1tqs n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1tqs s TYR 828 N -2.00 3.85 0.16 3.10 1.51 -1.17 -4.61 117.35 118.19 1tqs s TYR 828 Ca 0.39 1.49 0.03 0.00 -1.01 0.00 0.00 57.07 57.96 1tqs s TYR 828 Cb 0.21 -2.69 -0.05 0.00 -0.11 0.00 0.00 41.96 39.32 1tqs s TYR 828 CO 0.34 0.49 -0.03 0.71 -1.11 0.00 0.00 175.55 175.95 1tqs s TYR 829 N -0.94 1.22 0.43 2.71 1.51 -0.11 -4.68 117.35 117.49 1tqs s TYR 829 Ca 0.34 -0.93 -0.24 0.00 -1.01 0.00 0.00 57.07 55.22 1tqs s TYR 829 Cb -0.21 -0.68 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 1tqs s TYR 829 CO 0.23 -0.12 1.20 -2.14 -1.11 0.00 0.00 175.55 173.62 1tqs s PRO 830 N -3.86 3.88 -0.66 -1.71 0.02 -1.26 -1.58 135.00 129.83 1tqs s PRO 830 Ca 0.21 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.18 1tqs s PRO 830 Cb 0.05 -2.57 0.20 0.00 0.02 0.00 0.00 34.50 32.20 1tqs s PRO 830 CO 0.02 -0.48 0.59 -0.89 -0.33 0.00 0.00 177.00 175.92 1tqs n ILE 831 N -0.18 1.76 0.19 2.83 2.08 0.63 -4.54 119.36 122.14 1tqs n ILE 831 Ca 0.06 -4.94 0.04 0.00 0.56 0.00 0.00 62.75 58.47 1tqs n ILE 831 Cb 0.46 -2.13 0.39 0.00 -0.75 0.00 0.00 39.64 37.62 1tqs n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1tqs h PRO 832 N 4.88 0.00 0.00 0.38 0.13 -1.79 -2.69 132.00 132.91 1tqs h PRO 832 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1tqs h PRO 832 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1tqs h PRO 832 CO 0.75 0.36 0.00 -1.13 -0.23 0.00 0.00 178.00 177.74 1tqs n SER 833 N -3.86 0.00 0.00 1.44 3.41 -1.26 -3.85 113.62 109.50 1tqs n SER 833 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1tqs n SER 833 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1tqs n SER 833 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tqs n GLY 834 N 0.00 0.44 3.33 5.00 0.00 -1.26 -0.74 105.19 111.95 1tqs n GLY 834 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1tqs n GLY 834 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1tqs s MET 835 N -2.00 0.97 0.11 1.61 0.23 -0.42 -2.09 119.30 117.72 1tqs s MET 835 Ca 0.00 -0.43 -0.17 0.00 -1.03 0.00 0.00 55.69 54.05 1tqs s MET 835 Cb 0.00 0.43 0.04 0.00 -1.53 0.00 0.00 34.83 33.77 1tqs s MET 835 CO 0.00 -0.35 0.42 -0.59 -2.03 0.00 0.00 175.02 172.48 1tqs s PHE 836 N -2.81 -0.25 0.10 3.16 -0.12 -0.14 -0.90 117.98 117.03 1tqs s PHE 836 Ca -0.03 -0.01 0.07 0.00 -0.05 0.00 0.00 56.93 56.91 1tqs s PHE 836 Cb -0.00 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.64 1tqs s PHE 836 CO -0.05 -0.69 -0.18 0.96 -0.05 0.00 0.00 175.22 175.21 1tqs s ILE 837 N -3.57 1.48 0.14 -4.49 -4.36 -0.75 -0.96 121.20 108.69 1tqs s ILE 837 Ca 0.01 -1.52 -0.18 0.00 -0.26 0.00 0.00 60.65 58.70 1tqs s ILE 837 Cb 0.01 -1.42 0.05 0.00 1.25 0.00 0.00 42.46 42.35 1tqs s ILE 837 CO -0.10 -0.18 0.47 -1.83 0.24 0.00 0.00 174.94 173.54 1tqs s GLU 838 N -2.02 1.16 0.00 0.37 -1.05 -1.26 -1.28 118.70 114.62 1tqs s GLU 838 Ca 0.05 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1tqs s GLU 838 Cb -0.09 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1tqs s GLU 838 CO 0.04 -0.48 0.00 -0.40 0.95 0.00 0.00 175.26 175.37 1tqs n ASP 839 N -0.28 1.42 0.26 0.83 5.68 -0.31 -4.15 116.55 119.99 1tqs n ASP 839 Ca -0.16 -0.12 0.09 0.00 -0.50 0.00 0.00 54.79 54.10 1tqs n ASP 839 Cb 0.64 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.28 1tqs n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tqs h ALA 840 N 1.00 1.69 0.00 2.12 0.00 -1.98 -3.33 119.26 118.76 1tqs h ALA 840 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1tqs h ALA 840 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1tqs h ALA 840 CO 0.00 0.10 -1.46 0.09 0.00 0.00 0.00 179.25 177.98 1tqs n ASN 841 N -4.19 3.19 -4.07 0.00 3.02 -1.26 -3.64 115.26 108.30 1tqs n ASN 841 Ca -0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.34 1tqs n ASN 841 Cb 0.16 0.88 -0.14 0.00 -0.61 0.00 0.00 39.78 40.08 1tqs n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1tqs s THR 842 N -2.29 0.81 0.01 3.41 2.01 -1.25 -0.52 115.64 117.82 1tqs s THR 842 Ca -0.03 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1tqs s THR 842 Cb 0.03 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 1tqs s THR 842 CO 0.31 0.02 -0.11 -0.60 -0.69 0.00 0.00 174.62 173.55 1tqs s ARG 843 N -0.79 0.80 -0.15 4.92 3.52 -0.26 -1.16 118.95 125.83 1tqs s ARG 843 Ca 0.00 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.08 1tqs s ARG 843 Cb -0.06 -0.77 0.02 0.00 -1.56 0.00 0.00 34.95 32.58 1tqs s ARG 843 CO 0.00 0.20 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.35 1tqs s LEU 844 N -0.69 1.89 -0.09 -0.88 2.96 -0.40 -1.11 118.68 120.35 1tqs s LEU 844 Ca 0.01 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1tqs s LEU 844 Cb -0.06 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1tqs s LEU 844 CO 0.00 -0.01 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.95 1tqs s THR 845 N 1.28 2.62 -0.26 3.68 2.01 0.02 -1.81 115.64 123.17 1tqs s THR 845 Ca 0.02 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1tqs s THR 845 Cb -0.13 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1tqs s THR 845 CO -0.09 0.55 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.16 1tqs s LEU 846 N 0.02 3.41 0.04 4.42 2.96 -0.07 -0.77 118.68 128.68 1tqs s LEU 846 Ca -0.07 -0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 1tqs s LEU 846 Cb -0.15 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1tqs s LEU 846 CO 0.05 -0.15 0.34 -0.76 -1.32 0.00 0.00 176.35 174.51 1tqs s LEU 847 N 1.38 4.36 0.10 -0.68 2.01 -0.17 -1.30 118.68 124.38 1tqs s LEU 847 Ca 0.01 0.68 0.09 0.00 0.01 0.00 0.00 54.13 54.93 1tqs s LEU 847 Cb -0.17 -2.82 -0.03 0.00 0.01 0.00 0.00 46.19 43.18 1tqs s LEU 847 CO -0.02 0.22 -0.24 0.42 1.01 0.00 0.00 176.35 177.73 1tqs s THR 848 N -1.34 1.97 -1.86 5.49 -4.23 0.08 -1.54 115.64 114.20 1tqs s THR 848 Ca 0.30 -1.56 0.17 0.00 -1.18 0.00 0.00 61.69 59.42 1tqs s THR 848 Cb -0.14 -1.74 0.51 0.00 1.34 0.00 0.00 72.50 72.47 1tqs s THR 848 CO 0.17 0.08 1.42 0.61 -0.54 0.00 0.00 174.62 176.37 1tqs n GLY 849 N 1.20 1.75 3.54 3.99 0.00 -0.36 -4.72 105.19 110.59 1tqs n GLY 849 Ca -0.18 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1tqs n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tqs s GLN 850 N -1.34 0.97 0.13 1.61 0.00 -1.26 -4.75 119.66 115.03 1tqs s GLN 850 Ca 0.38 0.34 -0.30 0.00 -0.00 0.00 0.00 55.36 55.78 1tqs s GLN 850 Cb 0.21 0.46 -0.06 0.00 0.00 0.00 0.00 33.01 33.62 1tqs s GLN 850 CO 0.25 -0.28 1.01 -1.25 0.00 0.00 0.00 175.29 175.02 1tqs s PRO 851 N -0.98 4.66 0.19 9.60 0.04 -1.25 -4.74 135.00 142.52 1tqs s PRO 851 Ca -0.09 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.42 1tqs s PRO 851 Cb -0.01 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1tqs s PRO 851 CO 0.08 0.16 0.30 -0.51 0.04 0.00 0.00 177.00 177.07 1tqs s LEU 852 N -0.11 0.85 0.25 -3.56 1.43 -1.01 -4.77 118.68 111.76 1tqs s LEU 852 Ca 0.48 -0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 52.51 1tqs s LEU 852 Cb -0.26 1.19 -0.07 0.00 0.03 0.00 0.00 46.19 47.08 1tqs s LEU 852 CO 0.31 -0.94 0.58 -0.83 0.23 0.00 0.00 176.35 175.71 1tqs s GLY 853 N -3.01 2.26 0.24 -3.19 0.00 -1.05 -0.27 107.32 102.31 1tqs s GLY 853 Ca 0.22 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.50 1tqs s GLY 853 CO 0.04 -0.09 0.98 -0.32 0.00 0.00 0.00 173.10 173.71 1tqs s GLY 854 N -2.41 0.19 0.21 0.20 0.00 -0.61 -0.39 107.32 104.51 1tqs s GLY 854 Ca 0.48 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.57 1tqs s GLY 854 CO 0.21 1.80 0.89 -1.26 0.00 0.00 0.00 173.10 174.75 1tqs n SER 855 N -1.29 -1.69 -3.75 1.64 2.88 -0.46 -0.93 113.62 110.01 1tqs n SER 855 Ca -0.04 -1.96 -0.30 0.00 -1.33 0.00 0.00 58.87 55.24 1tqs n SER 855 Cb 0.59 2.76 -0.15 0.00 -0.75 0.00 0.00 64.21 66.67 1tqs n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1tqs s SER 856 N -3.15 4.01 0.00 -3.46 0.15 -1.26 -0.90 113.70 109.09 1tqs s SER 856 Ca 0.19 -1.91 0.28 0.00 0.70 0.00 0.00 55.95 55.22 1tqs s SER 856 Cb -0.03 -0.97 1.15 0.00 -1.71 0.00 0.00 66.02 64.46 1tqs s SER 856 CO 0.06 -0.38 1.81 0.18 1.20 0.00 0.00 173.24 176.11 1tqs n LEU 857 N 4.50 0.66 -3.51 3.45 4.77 -1.26 -4.81 117.00 120.79 1tqs n LEU 857 Ca 0.01 -0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.73 1tqs n LEU 857 Cb 0.40 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1tqs n LEU 857 CO 0.15 0.12 0.41 0.00 -1.33 0.00 0.00 177.39 176.74 1tqs s ALA 858 N -2.40 -1.68 0.24 -1.18 0.00 -1.26 -5.09 121.76 110.38 1tqs s ALA 858 Ca 0.30 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 1tqs s ALA 858 Cb 0.20 0.22 -0.15 0.00 0.00 0.00 0.00 23.12 23.39 1tqs s ALA 858 CO 0.46 -0.46 1.12 0.45 0.00 0.00 0.00 175.76 177.33 1tqs n SER 859 N 0.61 1.48 0.00 0.00 2.88 -1.18 -1.39 113.62 116.02 1tqs n SER 859 Ca -0.19 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1tqs n SER 859 Cb 0.59 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1tqs n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tqs n GLY 860 N 1.65 1.58 3.70 0.46 0.00 -1.05 -4.90 105.19 106.64 1tqs n GLY 860 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1tqs n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tqs s GLU 861 N -0.08 2.56 0.06 1.61 2.02 -0.48 -1.18 118.70 123.20 1tqs s GLU 861 Ca 0.00 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.10 1tqs s GLU 861 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.71 1tqs s GLU 861 CO 0.00 0.50 -0.13 -0.51 0.02 0.00 0.00 175.26 175.14 1tqs s LEU 862 N -2.66 2.24 0.00 1.80 1.43 -0.63 -4.50 118.68 116.36 1tqs s LEU 862 Ca 0.27 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 1tqs s LEU 862 Cb -0.11 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.63 1tqs s LEU 862 CO 0.19 -0.05 0.32 -1.83 0.23 0.00 0.00 176.35 175.21 1tqs s GLU 863 N -1.51 0.73 -0.09 1.70 -1.05 -0.08 -0.24 118.70 118.16 1tqs s GLU 863 Ca -0.02 -0.28 -0.04 0.00 -0.15 0.00 0.00 54.97 54.48 1tqs s GLU 863 Cb -0.09 0.32 0.05 0.00 -0.44 0.00 0.00 34.13 33.96 1tqs s GLU 863 CO 0.02 -0.21 0.21 -1.50 0.95 0.00 0.00 175.26 174.72 1tqs s ILE 864 N -1.72 -0.09 0.32 1.83 2.07 -0.04 -1.36 121.20 122.21 1tqs s ILE 864 Ca -0.11 0.18 -0.28 0.00 -1.41 0.00 0.00 60.65 59.03 1tqs s ILE 864 Cb -0.04 -0.33 -0.10 0.00 0.13 0.00 0.00 42.46 42.12 1tqs s ILE 864 CO 0.02 0.08 1.18 -0.32 -1.91 0.00 0.00 174.94 173.98 1tqs s MET 865 N 1.39 4.43 -0.27 3.50 -2.45 0.48 -1.08 119.30 125.29 1tqs s MET 865 Ca -0.08 1.94 -0.09 0.00 -1.25 0.00 0.00 55.69 56.21 1tqs s MET 865 Cb -0.11 -3.04 -0.14 0.00 1.25 0.00 0.00 34.83 32.79 1tqs s MET 865 CO -0.08 -0.02 -0.31 1.04 1.05 0.00 0.00 175.02 176.70 1tqs n GLN 866 N 0.83 0.61 -3.73 4.11 1.13 0.71 -4.49 117.38 116.55 1tqs n GLN 866 Ca 0.00 0.23 -0.08 0.00 -1.94 0.00 0.00 57.00 55.21 1tqs n GLN 866 Cb 0.44 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 1tqs n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1tqs s ASP 867 N -7.19 -0.33 -0.14 1.08 -1.08 -1.22 -4.84 116.67 102.96 1tqs s ASP 867 Ca -0.38 -0.42 -0.12 0.00 -0.52 0.00 0.00 52.55 51.12 1tqs s ASP 867 Cb 0.13 0.66 0.04 0.00 -1.46 0.00 0.00 42.92 42.29 1tqs s ASP 867 CO 0.53 -1.18 0.37 0.00 0.52 0.00 0.00 175.17 175.40 1tqs s ARG 868 N -3.78 0.41 -0.12 4.34 1.70 -1.26 -1.26 118.95 118.97 1tqs s ARG 868 Ca 0.08 0.54 -0.01 0.00 -0.47 0.00 0.00 55.73 55.88 1tqs s ARG 868 Cb -0.04 0.16 0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1tqs s ARG 868 CO 0.01 -0.07 -0.04 0.50 -1.08 0.00 0.00 175.30 174.62 1tqs s ARG 869 N 0.39 1.22 -0.07 3.89 3.52 -0.23 -4.84 118.95 122.83 1tqs s ARG 869 Ca -0.02 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1tqs s ARG 869 Cb -0.04 -1.58 0.02 0.00 -1.56 0.00 0.00 34.95 31.80 1tqs s ARG 869 CO -0.02 -0.34 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.56 1tqs s LEU 870 N 1.77 1.30 0.36 -0.88 1.43 -0.05 -0.52 118.68 122.08 1tqs s LEU 870 Ca 0.04 -0.20 0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1tqs s LEU 870 Cb -0.13 -0.62 0.20 0.00 0.03 0.00 0.00 46.19 45.66 1tqs s LEU 870 CO -0.07 -0.06 1.51 0.00 0.23 0.00 0.00 176.35 177.96 1tqs h ALA 871 N 7.43 0.84 -2.91 4.21 0.00 -1.88 0.27 119.26 127.23 1tqs h ALA 871 Ca -0.32 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 1tqs h ALA 871 Cb 1.16 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1tqs h ALA 871 CO 0.43 0.29 -0.56 -1.12 0.00 0.00 0.00 179.25 178.29 1tqs s SER 872 N -6.29 5.68 0.38 0.00 0.01 -1.26 -4.17 113.70 108.05 1tqs s SER 872 Ca 0.05 -0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.06 1tqs s SER 872 Cb 0.06 -1.55 -0.10 0.00 0.21 0.00 0.00 66.02 64.64 1tqs s SER 872 CO 0.71 0.12 0.99 -0.62 0.41 0.00 0.00 173.24 174.85 1tqs s ASP 873 N -2.76 6.99 -0.30 2.44 -1.08 -1.26 -3.97 116.67 116.73 1tqs s ASP 873 Ca 0.31 1.89 0.10 0.00 -0.52 0.00 0.00 52.55 54.33 1tqs s ASP 873 Cb -0.11 -2.57 0.59 0.00 -1.46 0.00 0.00 42.92 39.37 1tqs s ASP 873 CO 0.24 -0.32 1.61 -0.90 0.52 0.00 0.00 175.17 176.32 1tqs n ASP 874 N 0.01 3.54 -1.68 -0.34 5.75 -1.26 -4.83 116.55 117.74 1tqs n ASP 874 Ca 0.04 -3.46 -0.16 0.00 -0.01 0.00 0.00 54.79 51.21 1tqs n ASP 874 Cb 0.51 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.90 1tqs n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1tqs n GLU 875 N -0.78 -1.24 -0.19 0.11 1.02 -1.26 -4.86 120.64 113.44 1tqs n GLU 875 Ca 0.37 0.85 0.06 0.00 -0.02 0.00 0.00 57.16 58.41 1tqs n GLU 875 Cb 1.19 -5.18 0.14 0.00 -0.02 0.00 0.00 31.44 27.57 1tqs n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1tqs n ARG 876 N -2.54 2.72 0.00 3.49 5.12 -1.26 -4.99 116.66 119.20 1tqs n ARG 876 Ca -0.18 -2.19 0.00 0.00 -1.93 0.00 0.00 57.85 53.55 1tqs n ARG 876 Cb 0.62 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1tqs n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tqs n GLY 877 N -0.21 0.23 0.21 -0.13 0.00 -1.26 -4.97 105.19 99.06 1tqs n GLY 877 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1tqs n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tqs h LEU 878 N 0.00 0.52 0.59 0.99 5.85 -1.94 -3.48 115.31 117.85 1tqs h LEU 878 Ca 0.00 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.32 1tqs h LEU 878 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1tqs h LEU 878 CO 0.00 0.91 -0.15 0.61 -0.34 0.00 0.00 178.44 179.47 1tqs n GLY 879 N 0.07 0.65 3.60 3.75 0.00 -1.26 -4.85 105.19 107.15 1tqs n GLY 879 Ca -0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 1tqs n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tqs s GLN 880 N -3.22 1.39 0.00 1.61 -2.07 -1.26 -4.98 119.66 111.13 1tqs s GLN 880 Ca 0.00 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 1tqs s GLN 880 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 1tqs s GLN 880 CO 0.00 -0.62 0.00 0.41 -1.32 0.00 0.00 175.29 173.76 1tqs n GLY 881 N -0.40 0.22 2.92 2.60 0.00 -1.26 -4.13 105.19 105.15 1tqs n GLY 881 Ca -0.11 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1tqs n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tqs s VAL 882 N 0.67 1.93 -0.04 1.61 1.01 0.97 -4.87 120.40 121.67 1tqs s VAL 882 Ca 0.00 -2.27 0.06 0.00 0.00 0.00 0.00 61.98 59.77 1tqs s VAL 882 Cb 0.00 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 34.05 1tqs s VAL 882 CO 0.00 -0.67 0.94 0.18 0.00 0.00 0.00 175.10 175.55 1tqs n LEU 883 N 4.19 1.21 -1.51 3.92 4.77 -1.26 -0.87 117.00 127.45 1tqs n LEU 883 Ca 0.03 -1.66 -0.08 0.00 -0.03 0.00 0.00 56.01 54.27 1tqs n LEU 883 Cb 0.40 -0.13 0.21 0.00 -2.33 0.00 0.00 43.42 41.58 1tqs n LEU 883 CO 0.21 0.40 0.89 -0.90 -1.33 0.00 0.00 177.39 176.66 1tqs n ASP 884 N -0.55 3.20 -4.65 -1.43 3.85 -1.26 -5.03 116.55 110.67 1tqs n ASP 884 Ca 0.05 -3.60 -0.38 0.00 -0.71 0.00 0.00 54.79 50.15 1tqs n ASP 884 Cb 0.52 -0.69 0.05 0.00 -1.35 0.00 0.00 41.12 39.65 1tqs n ASP 884 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1tqs n ASN 885 N -0.97 1.27 -3.91 -1.12 4.13 -1.26 -5.04 115.26 108.36 1tqs n ASN 885 Ca 0.40 0.84 -0.09 0.00 1.68 0.00 0.00 54.58 57.41 1tqs n ASN 885 Cb 1.23 -1.44 -0.08 0.00 -1.54 0.00 0.00 39.78 37.94 1tqs n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1tqs s LYS 886 N -2.85 0.71 0.28 3.52 -2.85 -1.26 -4.96 119.74 112.32 1tqs s LYS 886 Ca 0.76 -0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 54.53 1tqs s LYS 886 Cb -0.42 0.28 -0.13 0.00 -2.06 0.00 0.00 37.83 35.51 1tqs s LYS 886 CO 0.46 -0.20 1.45 -2.30 0.10 0.00 0.00 175.35 174.87 1tqs n PRO 887 N 0.32 2.29 -4.15 1.78 -0.02 -1.26 -4.82 135.00 129.14 1tqs n PRO 887 Ca -0.17 0.81 -0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1tqs n PRO 887 Cb 0.60 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 1tqs n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1tqs s VAL 888 N -0.24 0.48 -0.49 -1.45 0.11 -0.82 -4.92 120.40 113.06 1tqs s VAL 888 Ca 0.64 -0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 59.08 1tqs s VAL 888 Cb -0.58 -0.45 0.10 0.00 -1.53 0.00 0.00 36.38 33.93 1tqs s VAL 888 CO 0.52 -0.01 0.42 -0.22 -3.33 0.00 0.00 175.10 172.47 1tqs s LEU 889 N -0.54 5.82 0.22 2.54 2.96 -1.26 -0.52 118.68 127.90 1tqs s LEU 889 Ca -0.01 -1.63 -0.26 0.00 -0.22 0.00 0.00 54.13 52.01 1tqs s LEU 889 Cb -0.04 -2.15 -0.09 0.00 0.50 0.00 0.00 46.19 44.41 1tqs s LEU 889 CO -0.00 -0.73 0.84 -1.00 -1.32 0.00 0.00 176.35 174.14 1tqs s HIS 890 N 1.56 3.86 0.08 5.38 3.76 0.00 -4.91 115.29 125.02 1tqs s HIS 890 Ca 0.04 1.71 0.07 0.00 -0.15 0.00 0.00 55.06 56.72 1tqs s HIS 890 Cb -0.27 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 30.56 1tqs s HIS 890 CO 0.03 0.42 -0.18 0.96 -0.85 0.00 0.00 174.74 175.13 1tqs s ILE 891 N -1.29 1.47 0.17 0.60 -4.36 -1.26 -0.90 121.20 115.63 1tqs s ILE 891 Ca 0.41 -1.39 -0.13 0.00 -0.26 0.00 0.00 60.65 59.28 1tqs s ILE 891 Cb -0.22 -1.35 0.01 0.00 1.25 0.00 0.00 42.46 42.15 1tqs s ILE 891 CO 0.27 -0.08 0.38 -0.31 0.24 0.00 0.00 174.94 175.44 1tqs s TYR 892 N -1.13 0.11 0.03 1.37 1.51 0.11 -1.23 117.35 118.13 1tqs s TYR 892 Ca 0.04 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 55.68 1tqs s TYR 892 Cb -0.10 0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.88 1tqs s TYR 892 CO 0.03 -0.78 -0.17 1.03 -1.11 0.00 0.00 175.55 174.55 1tqs s ARG 893 N -3.91 1.21 -0.25 -0.62 1.81 -0.59 -1.06 118.95 115.55 1tqs s ARG 893 Ca 0.12 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.37 1tqs s ARG 893 Cb 0.02 -1.24 0.05 0.00 -0.45 0.00 0.00 34.95 33.32 1tqs s ARG 893 CO -0.03 0.32 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.62 1tqs s LEU 894 N -0.96 3.25 -0.27 2.53 2.96 -0.66 -0.99 118.68 124.53 1tqs s LEU 894 Ca 0.05 -1.28 -0.01 0.00 -0.22 0.00 0.00 54.13 52.67 1tqs s LEU 894 Cb -0.08 -1.54 0.04 0.00 0.50 0.00 0.00 46.19 45.11 1tqs s LEU 894 CO 0.01 -0.16 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.15 1tqs s VAL 895 N 1.13 2.86 -0.21 1.68 1.01 0.05 -3.63 120.40 123.29 1tqs s VAL 895 Ca -0.07 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.56 1tqs s VAL 895 Cb -0.19 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1tqs s VAL 895 CO -0.06 0.03 0.12 -0.22 0.00 0.00 0.00 175.10 174.97 1tqs s LEU 896 N 1.27 4.09 0.04 3.92 2.96 -1.26 -0.80 118.68 128.89 1tqs s LEU 896 Ca -0.03 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1tqs s LEU 896 Cb -0.18 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1tqs s LEU 896 CO -0.03 0.15 0.10 -1.61 -1.32 0.00 0.00 176.35 173.64 1tqs s GLU 897 N 0.53 0.59 -0.02 1.98 2.02 -0.27 -5.02 118.70 118.51 1tqs s GLU 897 Ca 0.07 -0.74 -0.26 0.00 0.02 0.00 0.00 54.97 54.06 1tqs s GLU 897 Cb -0.12 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.30 1tqs s GLU 897 CO -0.00 -0.15 0.79 0.15 0.02 0.00 0.00 175.26 176.07 1tqs s LYS 898 N -2.58 4.48 -0.01 1.61 -0.14 -1.26 -1.10 119.74 120.74 1tqs s LYS 898 Ca -0.05 1.07 0.02 0.00 -1.36 0.00 0.00 55.97 55.64 1tqs s LYS 898 Cb -0.01 -3.43 0.03 0.00 -1.68 0.00 0.00 37.83 32.73 1tqs s LYS 898 CO -0.04 0.08 0.92 1.33 -0.76 0.00 0.00 175.35 176.88 1tqs n VAL 899 N 3.60 0.88 0.28 3.17 0.24 0.32 -4.76 118.33 122.07 1tqs n VAL 899 Ca 0.00 -0.92 0.15 0.00 -2.04 0.00 0.00 64.34 61.53 1tqs n VAL 899 Cb 0.51 0.51 0.84 0.00 -1.47 0.00 0.00 33.84 34.23 1tqs n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1tqs h ASN 900 N 0.00 0.00 0.04 -1.34 -1.07 -1.62 -1.62 115.58 109.97 1tqs h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1tqs h ASN 900 Cb 0.67 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.92 1tqs h ASN 900 CO 0.00 0.06 -0.19 0.59 0.07 0.00 0.00 177.43 177.96 1tqs n ASN 901 N -3.64 1.96 -4.75 6.14 5.03 -1.26 -4.97 115.26 113.77 1tqs n ASN 901 Ca -0.02 -1.51 -0.40 0.00 0.87 0.00 0.00 54.58 53.52 1tqs n ASN 901 Cb 0.17 0.16 -0.06 0.00 -1.02 0.00 0.00 39.78 39.04 1tqs n ASN 901 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1tqs s VAL 903 N -1.20 4.06 0.28 0.00 1.01 0.33 -4.99 120.40 119.88 1tqs s VAL 903 Ca 0.43 0.60 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1tqs s VAL 903 Cb -0.27 -4.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 1tqs s VAL 903 CO 0.34 -1.39 0.13 -0.13 0.00 0.00 0.00 175.10 174.05 1tqs s ARG 904 N 4.83 2.61 0.92 2.72 0.52 -1.26 -4.45 118.95 124.84 1tqs s ARG 904 Ca 0.37 -1.28 -0.10 0.00 -0.52 0.00 0.00 55.73 54.20 1tqs s ARG 904 Cb -0.09 -2.36 0.15 0.00 0.52 0.00 0.00 34.95 33.17 1tqs s ARG 904 CO 0.21 0.31 1.13 -2.14 0.02 0.00 0.00 175.30 174.83 1tqs s PRO 905 N -3.80 0.95 0.97 3.54 0.02 -1.26 -4.92 135.00 130.50 1tqs s PRO 905 Ca 0.34 1.44 -0.12 0.00 0.02 0.00 0.00 61.00 62.67 1tqs s PRO 905 Cb -0.06 -1.73 0.17 0.00 0.02 0.00 0.00 34.50 32.90 1tqs s PRO 905 CO 0.23 -2.64 1.09 -1.54 -0.33 0.00 0.00 177.00 173.81 1tqs s SER 906 N -2.74 2.86 0.59 2.53 1.04 -1.26 -4.89 113.70 111.83 1tqs s SER 906 Ca 0.66 1.26 0.30 0.00 0.48 0.00 0.00 55.95 58.65 1tqs s SER 906 Cb -0.22 -1.93 1.74 0.00 0.10 0.00 0.00 66.02 65.71 1tqs s SER 906 CO 0.58 -2.99 2.16 0.11 0.98 0.00 0.00 173.24 174.08 1tqs h LYS 907 N -1.80 0.00 -0.01 4.02 1.57 -2.00 -1.83 116.57 116.52 1tqs h LYS 907 Ca -0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1tqs h LYS 907 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1tqs h LYS 907 CO 0.57 0.00 -0.27 1.28 -0.57 0.00 0.00 179.45 180.46 1tqs n LEU 908 N -3.78 1.66 -4.74 2.94 4.77 -1.26 -4.92 117.00 111.67 1tqs n LEU 908 Ca -0.00 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.02 1tqs n LEU 908 Cb 0.23 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1tqs n LEU 908 CO 0.27 0.30 0.85 -2.28 -1.33 0.00 0.00 177.39 175.20 1tqs s HIS 909 N -2.37 3.48 -1.59 -1.77 2.46 -0.69 -4.94 115.29 109.86 1tqs s HIS 909 Ca 0.24 1.51 0.30 0.00 0.47 0.00 0.00 55.06 57.58 1tqs s HIS 909 Cb 0.19 -3.38 1.42 0.00 -0.13 0.00 0.00 32.58 30.68 1tqs s HIS 909 CO 0.49 -0.98 1.98 -0.35 -2.47 0.00 0.00 174.74 173.41 1tqs n PRO 910 N 2.17 0.61 -4.00 2.88 -0.05 -1.26 -4.89 135.00 130.46 1tqs n PRO 910 Ca 0.03 -0.11 -0.22 0.00 -0.05 0.00 0.00 63.50 63.14 1tqs n PRO 910 Cb 0.45 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.35 1tqs n PRO 910 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1tqs s ALA 911 N -2.46 3.62 0.24 0.55 0.00 -1.26 -1.09 121.76 121.35 1tqs s ALA 911 Ca 0.31 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.62 1tqs s ALA 911 Cb 0.20 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1tqs s ALA 911 CO 0.46 0.08 0.03 0.20 0.00 0.00 0.00 175.76 176.52 1tqs s GLY 912 N -3.89 1.62 0.01 0.00 0.00 -0.85 -4.75 107.32 99.47 1tqs s GLY 912 Ca 0.38 -1.80 -0.00 0.00 0.00 0.00 0.00 44.72 43.29 1tqs s GLY 912 CO 0.24 -1.65 -0.01 -0.19 0.00 0.00 0.00 173.10 171.49 1tqs s TYR 913 N -3.52 0.16 0.66 1.90 1.51 -1.26 -4.01 117.35 112.79 1tqs s TYR 913 Ca 0.31 -0.32 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 1tqs s TYR 913 Cb 0.07 -0.12 -0.02 0.00 -0.11 0.00 0.00 41.96 41.78 1tqs s TYR 913 CO 0.10 -0.12 1.05 -0.51 -1.11 0.00 0.00 175.55 174.96 1tqs s LEU 914 N -0.93 3.14 0.66 -1.29 1.43 -1.26 -4.71 118.68 115.72 1tqs s LEU 914 Ca -0.10 1.44 -0.08 0.00 -1.03 0.00 0.00 54.13 54.36 1tqs s LEU 914 Cb -0.06 -4.40 0.03 0.00 0.03 0.00 0.00 46.19 41.79 1tqs s LEU 914 CO -0.01 -1.14 1.00 0.42 0.23 0.00 0.00 176.35 176.85 1tqs s THR 915 N -3.16 3.16 0.22 5.49 -4.23 -1.26 -1.08 115.64 114.78 1tqs s THR 915 Ca 0.56 0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.06 1tqs s THR 915 Cb -0.12 -3.32 0.17 0.00 1.34 0.00 0.00 72.50 70.57 1tqs s THR 915 CO 0.54 -0.36 1.78 -1.28 -0.54 0.00 0.00 174.62 174.76 1tqs h SER 916 N -0.46 0.44 -0.53 3.99 0.87 -1.94 -0.75 113.55 115.17 1tqs h SER 916 Ca -0.45 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.07 1tqs h SER 916 Cb 1.28 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1tqs h SER 916 CO 0.62 0.26 -0.03 0.00 -0.53 0.00 0.00 176.83 177.15 1tqs h ALA 917 N 1.41 0.89 -0.40 6.23 0.00 -1.99 -0.61 119.26 124.80 1tqs h ALA 917 Ca 0.34 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1tqs h ALA 917 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1tqs h ALA 917 CO -0.26 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.36 1tqs h ALA 918 N 1.05 0.74 -0.26 0.00 0.00 -1.83 -1.00 119.26 117.95 1tqs h ALA 918 Ca 0.16 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1tqs h ALA 918 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1tqs h ALA 918 CO 0.03 0.66 0.02 1.25 0.00 0.00 0.00 179.25 181.21 1tqs h HIS 919 N 0.73 0.49 -0.93 0.00 2.76 -0.84 -0.67 115.15 116.70 1tqs h HIS 919 Ca 0.08 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1tqs h HIS 919 Cb 0.84 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.62 1tqs h HIS 919 CO 0.05 0.59 0.61 0.87 -1.30 0.00 0.00 177.93 178.76 1tqs h LYS 920 N 0.25 1.18 -0.73 5.26 1.57 -1.06 -0.83 116.57 122.21 1tqs h LYS 920 Ca 0.08 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1tqs h LYS 920 Cb 0.39 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1tqs h LYS 920 CO 0.01 0.78 0.26 0.00 -0.57 0.00 0.00 179.45 179.93 1tqs h ALA 921 N 1.44 0.95 -0.52 3.86 0.00 -0.91 -0.77 119.26 123.31 1tqs h ALA 921 Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1tqs h ALA 921 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1tqs h ALA 921 CO -0.09 0.61 0.20 1.03 0.00 0.00 0.00 179.25 181.00 1tqs h SER 922 N 1.07 0.72 -0.31 0.00 0.87 -0.51 -2.32 113.55 113.07 1tqs h SER 922 Ca 0.24 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1tqs h SER 922 Cb 0.27 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1tqs h SER 922 CO -0.01 0.70 0.19 1.56 -0.53 0.00 0.00 176.83 178.74 1tqs h GLN 923 N 0.70 0.44 0.00 2.24 4.20 -0.79 -1.11 115.11 120.80 1tqs h GLN 923 Ca 0.17 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1tqs h GLN 923 Cb 0.21 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1tqs h GLN 923 CO -0.01 0.32 -0.21 0.66 -0.67 0.00 0.00 178.83 178.92 1tqs h SER 924 N 0.45 0.00 0.10 1.46 4.64 -0.60 0.34 113.55 119.95 1tqs h SER 924 Ca 0.12 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.21 1tqs h SER 924 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1tqs h SER 924 CO -0.02 0.21 -1.14 -0.07 -0.87 0.00 0.00 176.83 174.94 1tqs h LEU 925 N 0.00 0.33 0.08 5.97 3.38 -1.07 -3.35 115.31 120.65 1tqs h LEU 925 Ca -0.00 -0.86 -0.30 0.00 0.09 0.00 0.00 57.88 56.82 1tqs h LEU 925 Cb 0.49 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1tqs h LEU 925 CO 0.03 1.50 -1.54 -0.07 0.09 0.00 0.00 178.44 178.45 1tqs h LEU 926 N -0.45 0.26 -5.98 1.67 3.38 -1.14 -3.41 115.31 109.63 1tqs h LEU 926 Ca -0.24 -0.39 -0.55 0.00 0.09 0.00 0.00 57.88 56.78 1tqs h LEU 926 Cb 1.62 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.89 1tqs h LEU 926 CO 0.05 1.33 -1.01 0.47 0.09 0.00 0.00 178.44 179.37 1tqs n ASP 927 N -3.36 1.21 -4.65 -0.43 8.00 0.10 -4.62 116.55 112.80 1tqs n ASP 927 Ca -0.16 -2.95 -0.28 0.00 0.71 0.00 0.00 54.79 52.10 1tqs n ASP 927 Cb 1.03 -0.64 0.19 0.00 -0.02 0.00 0.00 41.12 41.69 1tqs n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1tqs s PRO 928 N -1.83 0.16 0.42 -0.24 0.04 -1.24 -4.71 135.00 127.59 1tqs s PRO 928 Ca 0.38 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.67 1tqs s PRO 928 Cb 0.21 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.95 1tqs s PRO 928 CO -0.09 -2.91 1.47 1.28 0.04 0.00 0.00 177.00 176.78 1tqs n LEU 929 N -4.30 5.01 -4.85 -3.56 4.77 -1.26 -4.77 117.00 108.03 1tqs n LEU 929 Ca 0.05 1.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.86 1tqs n LEU 929 Cb 0.57 -1.62 -0.06 0.00 -2.33 0.00 0.00 43.42 39.99 1tqs n LEU 929 CO 0.58 0.01 0.27 -1.81 -1.33 0.00 0.00 177.39 175.10 1tqs s ASP 930 N -0.31 6.76 -0.07 -1.43 1.01 -0.20 -4.90 116.67 117.52 1tqs s ASP 930 Ca 0.57 1.07 0.04 0.00 0.71 0.00 0.00 52.55 54.94 1tqs s ASP 930 Cb -0.46 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1tqs s ASP 930 CO 0.60 -0.02 -0.20 -0.54 0.21 0.00 0.00 175.17 175.23 1tqs s LYS 931 N -2.45 2.38 -0.03 8.23 1.02 -1.26 -0.92 119.74 126.70 1tqs s LYS 931 Ca 0.44 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 55.78 1tqs s LYS 931 Cb -0.13 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1tqs s LYS 931 CO 0.20 0.18 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.57 1tqs s PHE 932 N 0.29 1.76 -0.20 3.18 0.40 0.57 -1.18 117.98 122.80 1tqs s PHE 932 Ca -0.13 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 1tqs s PHE 932 Cb -0.16 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.21 1tqs s PHE 932 CO 0.06 -0.11 -0.07 0.42 0.70 0.00 0.00 175.22 176.21 1tqs s ILE 933 N -0.19 3.22 0.18 0.64 1.01 0.16 -0.84 121.20 125.38 1tqs s ILE 933 Ca 0.01 -0.56 -0.32 0.00 0.00 0.00 0.00 60.65 59.79 1tqs s ILE 933 Cb -0.10 -2.43 -0.11 0.00 0.01 0.00 0.00 42.46 39.83 1tqs s ILE 933 CO 0.01 0.46 1.63 0.12 0.00 0.00 0.00 174.94 177.15 1tqs s PHE 934 N 1.20 3.00 0.07 3.97 5.36 -0.66 -1.52 117.98 129.40 1tqs s PHE 934 Ca 0.02 0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 56.49 1tqs s PHE 934 Cb -0.14 -4.01 -0.27 0.00 -0.34 0.00 0.00 43.02 38.25 1tqs s PHE 934 CO -0.02 -3.77 1.10 0.00 -1.46 0.00 0.00 175.22 171.06 1tqs h ALA 935 N 6.76 0.17 -1.52 11.12 0.00 -1.14 -3.46 119.26 131.18 1tqs h ALA 935 Ca -0.43 -0.94 -0.46 0.00 0.00 0.00 0.00 54.91 53.08 1tqs h ALA 935 Cb 1.20 0.05 0.11 0.00 0.00 0.00 0.00 17.79 19.15 1tqs h ALA 935 CO 0.93 1.05 0.21 -1.21 0.00 0.00 0.00 179.25 180.23 1tqs s GLU 936 N -2.65 1.29 0.16 0.00 2.02 -1.26 -5.02 118.70 113.24 1tqs s GLU 936 Ca -0.04 -0.91 -0.02 0.00 0.02 0.00 0.00 54.97 54.02 1tqs s GLU 936 Cb 0.07 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1tqs s GLU 936 CO 0.87 -1.80 1.39 -0.91 0.02 0.00 0.00 175.26 174.82 1tqs h ASN 937 N -0.92 0.46 -3.49 -0.19 2.35 -1.97 -3.45 115.58 108.37 1tqs h ASN 937 Ca -0.39 -0.33 -0.40 0.00 -0.55 0.00 0.00 56.30 54.63 1tqs h ASN 937 Cb 1.25 -0.14 -0.34 0.00 0.05 0.00 0.00 38.32 39.15 1tqs h ASN 937 CO 0.39 1.10 -0.77 -0.70 -1.65 0.00 0.00 177.43 175.79 1tqs s GLU 938 N -3.44 0.77 -0.53 0.81 2.12 -1.26 -4.96 118.70 112.21 1tqs s GLU 938 Ca -0.05 -0.10 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 1tqs s GLU 938 Cb 0.10 -0.78 0.13 0.00 0.26 0.00 0.00 34.13 33.84 1tqs s GLU 938 CO 0.85 -0.07 0.45 -0.46 -0.54 0.00 0.00 175.26 175.49 1tqs s TRP 939 N 0.85 3.36 0.12 5.30 -0.00 -1.26 -5.06 118.94 122.25 1tqs s TRP 939 Ca -0.11 -1.60 -0.30 0.00 -0.00 0.00 0.00 56.10 54.09 1tqs s TRP 939 Cb -0.14 -3.67 -0.06 0.00 -0.00 0.00 0.00 33.47 29.60 1tqs s TRP 939 CO 0.00 -1.01 1.08 0.42 -0.00 0.00 0.00 176.95 177.45 1tqs s ILE 940 N 1.38 4.13 0.00 5.86 1.01 -1.26 -3.55 121.20 128.78 1tqs s ILE 940 Ca 0.05 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1tqs s ILE 940 Cb -0.27 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1tqs s ILE 940 CO 0.01 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1tqs n GLY 941 N 2.43 0.54 3.77 6.18 0.00 -1.26 -4.80 105.19 112.05 1tqs n GLY 941 Ca 0.04 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1tqs n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqs s ALA 942 N -2.00 3.41 0.24 4.61 0.00 -1.23 -1.25 121.76 125.53 1tqs s ALA 942 Ca 0.00 1.36 0.10 0.00 0.00 0.00 0.00 51.96 53.42 1tqs s ALA 942 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1tqs s ALA 942 CO 0.00 -0.88 -0.09 -0.65 0.00 0.00 0.00 175.76 174.14 1tqs s GLN 943 N -2.10 2.05 0.18 0.00 -0.21 0.33 -4.90 119.66 115.02 1tqs s GLN 943 Ca 0.54 -1.45 0.23 0.00 0.02 0.00 0.00 55.36 54.71 1tqs s GLN 943 Cb -0.42 -2.06 0.16 0.00 1.00 0.00 0.00 33.01 31.70 1tqs s GLN 943 CO 0.55 0.38 1.20 0.78 -2.12 0.00 0.00 175.29 176.08 1tqs h GLY 944 N 2.38 0.00 -4.03 3.09 0.00 -1.92 -3.43 103.07 99.16 1tqs h GLY 944 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1tqs h GLY 944 CO 0.58 0.00 0.32 1.62 0.00 0.00 0.00 176.54 179.05 1tqs s GLN 945 N -3.27 0.92 -0.02 4.80 0.74 -1.26 -1.37 119.66 120.20 1tqs s GLN 945 Ca 0.03 0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.60 1tqs s GLN 945 Cb 0.11 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.65 1tqs s GLN 945 CO 0.75 -0.30 -0.06 0.12 -0.55 0.00 0.00 175.29 175.25 1tqs s PHE 946 N -1.45 0.60 0.00 1.67 5.36 -0.36 -4.88 117.98 118.92 1tqs s PHE 946 Ca -0.06 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1tqs s PHE 946 Cb -0.00 -0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1tqs s PHE 946 CO 0.05 -0.06 0.00 0.41 -1.46 0.00 0.00 175.22 174.16 1tqs n GLY 947 N 3.26 0.81 0.32 13.12 0.00 -1.26 -1.11 105.19 120.33 1tqs n GLY 947 Ca -0.17 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1tqs n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tqs h GLY 948 N 0.00 0.00 -2.02 -0.02 0.00 -1.90 -0.75 103.07 98.39 1tqs h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tqs h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1tqs n ASP 949 N -3.41 3.07 -4.75 0.19 5.75 -1.26 -4.95 116.55 111.20 1tqs n ASP 949 Ca -0.03 -1.95 -0.41 0.00 -0.01 0.00 0.00 54.79 52.40 1tqs n ASP 949 Cb 0.08 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 39.85 1tqs n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1tqs s HIS 950 N -1.44 3.63 0.50 2.11 3.76 -0.29 -4.99 115.29 118.57 1tqs s HIS 950 Ca 0.38 1.67 -0.24 0.00 -0.15 0.00 0.00 55.06 56.73 1tqs s HIS 950 Cb 0.21 -3.25 -0.07 0.00 1.11 0.00 0.00 32.58 30.59 1tqs s HIS 950 CO 0.29 -0.48 1.41 -2.14 -0.85 0.00 0.00 174.74 172.97 1tqs s PRO 951 N -0.91 3.42 -0.43 8.40 0.02 -1.26 -4.69 135.00 139.54 1tqs s PRO 951 Ca 0.46 2.36 -0.12 0.00 0.02 0.00 0.00 61.00 63.72 1tqs s PRO 951 Cb -0.30 -2.47 0.07 0.00 0.02 0.00 0.00 34.50 31.82 1tqs s PRO 951 CO 0.37 -1.01 0.31 0.45 -0.33 0.00 0.00 177.00 176.79 1tqs s SER 952 N -0.69 5.85 0.55 2.53 0.15 -1.26 -4.64 113.70 116.20 1tqs s SER 952 Ca 0.66 -1.38 -0.08 0.00 0.70 0.00 0.00 55.95 55.85 1tqs s SER 952 Cb -0.43 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1tqs s SER 952 CO 0.53 -0.56 0.91 0.00 1.20 0.00 0.00 173.24 175.32 1tqs s ALA 953 N 1.52 3.24 0.56 5.45 0.00 0.39 -1.74 121.76 131.19 1tqs s ALA 953 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.52 1tqs s ALA 953 Cb -0.23 -2.85 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 1tqs s ALA 953 CO 0.04 -0.53 0.64 -2.13 0.00 0.00 0.00 175.76 173.79 1tqs n ARG 954 N -2.52 0.63 0.26 0.00 0.63 -1.26 -4.70 116.66 109.70 1tqs n ARG 954 Ca 0.03 0.24 0.12 0.00 -0.92 0.00 0.00 57.85 57.32 1tqs n ARG 954 Cb 0.55 -1.81 0.72 0.00 0.45 0.00 0.00 32.46 32.37 1tqs n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1tqs h GLU 955 N 0.36 0.00 -0.00 -0.14 4.11 -1.97 -0.90 114.58 116.05 1tqs h GLU 955 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1tqs h GLU 955 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1tqs h GLU 955 CO 0.48 0.11 -0.04 -0.40 0.07 0.00 0.00 179.01 179.23 1tqs n ASP 956 N -3.82 0.24 -4.82 3.06 5.75 -1.26 -4.85 116.55 110.85 1tqs n ASP 956 Ca -0.02 -0.58 -0.36 0.00 -0.01 0.00 0.00 54.79 53.82 1tqs n ASP 956 Cb 0.21 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 1tqs n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1tqs s LEU 957 N -2.37 4.21 0.05 -2.12 2.96 -0.34 -1.20 118.68 119.88 1tqs s LEU 957 Ca 0.34 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1tqs s LEU 957 Cb 0.21 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1tqs s LEU 957 CO 0.44 0.37 -0.12 -0.62 -1.32 0.00 0.00 176.35 175.09 1tqs s ASP 958 N -0.79 1.45 -0.90 3.68 3.68 0.17 -4.76 116.67 119.20 1tqs s ASP 958 Ca 0.13 -0.53 -0.15 0.00 2.13 0.00 0.00 52.55 54.13 1tqs s ASP 958 Cb -0.12 -0.05 0.19 0.00 -1.45 0.00 0.00 42.92 41.49 1tqs s ASP 958 CO 0.03 -0.06 0.95 -0.69 0.13 0.00 0.00 175.17 175.53 1tqs s VAL 959 N -1.11 5.29 0.30 1.11 1.01 -1.26 -1.24 120.40 124.50 1tqs s VAL 959 Ca -0.02 -2.22 -0.01 0.00 0.00 0.00 0.00 61.98 59.73 1tqs s VAL 959 Cb -0.09 -4.61 0.20 0.00 0.00 0.00 0.00 36.38 31.88 1tqs s VAL 959 CO 0.01 -1.24 1.89 0.28 0.00 0.00 0.00 175.10 176.04 1tqs h SER 960 N 8.06 0.81 -3.63 3.32 0.02 -1.26 -3.42 113.55 117.45 1tqs h SER 960 Ca 0.14 -0.09 -0.32 0.00 -0.84 0.00 0.00 61.79 60.68 1tqs h SER 960 Cb 1.02 -0.21 -0.32 0.00 0.14 0.00 0.00 62.40 63.03 1tqs h SER 960 CO 0.92 0.70 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.88 1tqs s VAL 961 N -5.48 0.20 -0.11 2.27 1.01 -1.15 -4.96 120.40 112.18 1tqs s VAL 961 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1tqs s VAL 961 Cb 0.16 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.33 1tqs s VAL 961 CO 0.79 0.11 -0.07 -0.32 0.00 0.00 0.00 175.10 175.61 1tqs s MET 962 N 0.58 1.44 -0.07 2.72 0.00 -1.26 -1.06 119.30 121.66 1tqs s MET 962 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 55.69 55.38 1tqs s MET 962 Cb -0.09 -1.51 0.04 0.00 0.00 0.00 0.00 34.83 33.27 1tqs s MET 962 CO -0.01 -0.25 0.13 0.50 0.00 0.00 0.00 175.02 175.39 1tqs s ARG 963 N 1.66 0.02 0.15 4.11 3.52 0.23 -3.32 118.95 125.32 1tqs s ARG 963 Ca 0.04 0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 55.80 1tqs s ARG 963 Cb -0.13 -0.29 -0.07 0.00 -1.56 0.00 0.00 34.95 32.90 1tqs s ARG 963 CO -0.07 -0.27 1.16 0.50 -0.81 0.00 0.00 175.30 175.81 1tqs s ARG 964 N 1.95 4.51 0.00 5.12 3.52 -1.26 -0.41 118.95 132.38 1tqs s ARG 964 Ca 0.00 1.79 0.20 0.00 -0.13 0.00 0.00 55.73 57.59 1tqs s ARG 964 Cb -0.12 -3.28 -0.11 0.00 -1.56 0.00 0.00 34.95 29.88 1tqs s ARG 964 CO -0.05 -0.08 0.91 1.28 -0.81 0.00 0.00 175.30 176.55 1tqs n LEU 965 N 2.84 1.40 -4.36 -0.88 4.77 0.46 -4.91 117.00 116.32 1tqs n LEU 965 Ca 0.05 -0.63 -0.30 0.00 -0.03 0.00 0.00 56.01 55.11 1tqs n LEU 965 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1tqs n LEU 965 CO 0.55 0.29 -0.57 0.42 -1.33 0.00 0.00 177.39 176.75 1tqs s THR 966 N -2.57 2.18 0.79 -5.08 -4.23 -1.23 -4.95 115.64 100.56 1tqs s THR 966 Ca 0.12 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 58.99 1tqs s THR 966 Cb 0.15 -1.89 0.09 0.00 1.34 0.00 0.00 72.50 72.19 1tqs s THR 966 CO 0.66 0.26 1.13 -0.54 -0.54 0.00 0.00 174.62 175.59 1tqs s LYS 967 N -1.55 1.91 0.53 3.99 1.02 -1.26 -4.88 119.74 119.50 1tqs s LYS 967 Ca 0.13 -0.08 0.34 0.00 0.02 0.00 0.00 55.97 56.38 1tqs s LYS 967 Cb -0.10 -2.02 1.56 0.00 -0.52 0.00 0.00 37.83 36.75 1tqs s LYS 967 CO 0.04 -1.55 2.03 0.66 -0.92 0.00 0.00 175.35 175.60 1tqs h SER 968 N -0.95 0.00 0.82 2.83 4.64 -1.97 -2.66 113.55 116.26 1tqs h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1tqs h SER 968 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1tqs h SER 968 CO 0.61 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.37 1tqs n SER 969 N -2.94 0.00 -4.67 4.97 7.64 -1.26 -4.79 113.62 112.57 1tqs n SER 969 Ca -0.00 0.41 -0.43 0.00 1.01 0.00 0.00 58.87 59.86 1tqs n SER 969 Cb 0.23 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.94 1tqs n SER 969 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tqs s ALA 970 N -2.93 3.58 0.24 -0.43 0.00 -1.01 -4.94 121.76 116.28 1tqs s ALA 970 Ca 0.14 0.54 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 1tqs s ALA 970 Cb 0.17 -3.57 0.28 0.00 0.00 0.00 0.00 23.12 20.00 1tqs s ALA 970 CO 0.46 -0.98 1.90 -0.22 0.00 0.00 0.00 175.76 176.92 1tqs h LYS 971 N 7.85 1.18 -4.59 0.00 3.64 -1.91 -3.35 116.57 119.38 1tqs h LYS 971 Ca -0.30 -0.07 -0.71 0.00 -1.27 0.00 0.00 60.65 58.30 1tqs h LYS 971 Cb 1.13 -0.27 -0.24 0.00 -0.41 0.00 0.00 32.23 32.44 1tqs h LYS 971 CO 0.93 0.78 -0.51 0.99 -2.27 0.00 0.00 179.45 179.37 1tqs s THR 972 N -6.10 4.59 0.43 1.00 2.01 -1.26 -4.73 115.64 111.59 1tqs s THR 972 Ca -0.13 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 1tqs s THR 972 Cb 0.18 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 1tqs s THR 972 CO 0.81 -0.23 0.98 -1.10 -0.69 0.00 0.00 174.62 174.39 1tqs s GLN 973 N 1.56 4.14 -0.02 4.92 -1.52 -0.61 -4.84 119.66 123.29 1tqs s GLN 973 Ca 0.02 1.23 0.02 0.00 -1.95 0.00 0.00 55.36 54.68 1tqs s GLN 973 Cb -0.19 -2.23 0.01 0.00 -0.22 0.00 0.00 33.01 30.37 1tqs s GLN 973 CO 0.07 -0.12 -0.07 1.03 -0.25 0.00 0.00 175.29 175.95 1tqs s ARG 974 N -3.05 0.83 -0.07 2.91 0.52 -1.26 -0.57 118.95 118.26 1tqs s ARG 974 Ca 0.62 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.62 1tqs s ARG 974 Cb -0.13 -0.79 0.01 0.00 0.52 0.00 0.00 34.95 34.56 1tqs s ARG 974 CO 0.17 0.08 -0.15 0.08 0.02 0.00 0.00 175.30 175.50 1tqs s VAL 975 N 0.26 1.31 -0.09 3.52 1.01 -0.19 -0.40 120.40 125.83 1tqs s VAL 975 Ca -0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1tqs s VAL 975 Cb -0.08 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1tqs s VAL 975 CO 0.00 0.39 0.12 -0.83 0.00 0.00 0.00 175.10 174.78 1tqs s GLY 976 N 0.50 2.10 -0.02 4.51 0.00 0.45 -0.90 107.32 113.96 1tqs s GLY 976 Ca -0.13 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1tqs s GLY 976 CO 0.04 -0.48 -0.10 -0.19 0.00 0.00 0.00 173.10 172.37 1tqs s TYR 977 N -1.06 1.01 -0.21 1.90 1.51 0.32 -0.60 117.35 120.21 1tqs s TYR 977 Ca 0.17 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 55.95 1tqs s TYR 977 Cb -0.12 -0.69 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1tqs s TYR 977 CO 0.07 -0.07 -0.02 0.08 -1.11 0.00 0.00 175.55 174.49 1tqs s VAL 978 N 0.02 3.69 -0.16 0.71 1.01 -0.22 -0.85 120.40 124.60 1tqs s VAL 978 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1tqs s VAL 978 Cb -0.07 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1tqs s VAL 978 CO 0.00 0.42 -0.07 -0.22 0.00 0.00 0.00 175.10 175.23 1tqs s LEU 979 N 1.27 2.95 -0.10 3.92 2.96 0.22 -0.67 118.68 129.23 1tqs s LEU 979 Ca 0.03 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1tqs s LEU 979 Cb -0.14 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1tqs s LEU 979 CO -0.00 0.11 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.67 1tqs s HIS 980 N 0.67 2.22 -0.20 5.38 5.65 -0.37 -1.15 115.29 127.50 1tqs s HIS 980 Ca -0.04 -0.93 -0.04 0.00 0.25 0.00 0.00 55.06 54.30 1tqs s HIS 980 Cb -0.15 -1.52 -0.02 0.00 -1.18 0.00 0.00 32.58 29.71 1tqs s HIS 980 CO 0.02 -0.41 -0.04 0.50 -0.65 0.00 0.00 174.74 174.16 1tqs s ARG 981 N 0.54 3.47 0.12 2.88 3.52 -0.65 -0.66 118.95 128.17 1tqs s ARG 981 Ca -0.15 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1tqs s ARG 981 Cb -0.17 -2.97 0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1tqs s ARG 981 CO 0.05 -0.04 0.17 -2.37 -0.81 0.00 0.00 175.30 172.30 1tqs n THR 982 N 4.36 0.00 -3.92 4.11 5.66 -0.34 -0.17 114.28 123.98 1tqs n THR 982 Ca -0.18 -0.16 -0.26 0.00 -3.05 0.00 0.00 64.05 60.40 1tqs n THR 982 Cb 0.51 -1.71 -0.17 0.00 -1.55 0.00 0.00 70.33 67.41 1tqs n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1tqs s ASN 983 N -1.63 2.00 0.00 1.09 2.47 -1.26 -3.77 114.94 113.84 1tqs s ASN 983 Ca 0.10 -0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.14 1tqs s ASN 983 Cb -0.00 -0.74 -0.04 0.00 -1.45 0.00 0.00 41.25 39.02 1tqs s ASN 983 CO 0.07 -0.12 -0.01 -0.76 -3.72 0.00 0.00 177.10 172.56 1tqs s LEU 984 N 1.69 3.47 0.51 3.21 1.43 -1.26 -4.24 118.68 123.49 1tqs s LEU 984 Ca 0.04 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 1tqs s LEU 984 Cb -0.13 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 1tqs s LEU 984 CO -0.07 0.28 1.21 -0.04 0.23 0.00 0.00 176.35 177.96 1tqs s MET 985 N -1.55 3.47 -0.33 1.70 -1.94 -0.24 -4.98 119.30 115.43 1tqs s MET 985 Ca 0.19 1.86 -0.22 0.00 -1.71 0.00 0.00 55.69 55.82 1tqs s MET 985 Cb -0.11 -2.26 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 1tqs s MET 985 CO 0.10 -0.81 0.70 -0.65 -0.01 0.00 0.00 175.02 174.35 1tqs s GLN 986 N -2.89 3.84 -0.08 2.03 -1.52 -1.26 -4.68 119.66 115.09 1tqs s GLN 986 Ca 0.68 0.32 0.12 0.00 -1.95 0.00 0.00 55.36 54.52 1tqs s GLN 986 Cb -0.31 -3.76 0.18 0.00 -0.22 0.00 0.00 33.01 28.89 1tqs s GLN 986 CO 0.36 -0.69 1.07 0.00 -0.25 0.00 0.00 175.29 175.79 1tqs n GLY 988 N -0.91 0.66 3.63 0.00 0.00 -1.26 -4.66 105.19 102.65 1tqs n GLY 988 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1tqs n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tqs s THR 989 N -2.00 5.01 0.49 2.61 2.01 -1.26 -5.02 115.64 117.48 1tqs s THR 989 Ca 0.00 1.10 -0.21 0.00 0.31 0.00 0.00 61.69 62.89 1tqs s THR 989 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 1tqs s THR 989 CO 0.00 0.06 0.80 -2.65 -0.69 0.00 0.00 174.62 172.14 1tqs n PRO 990 N 5.50 0.92 0.00 4.92 -0.02 -1.26 -4.93 135.00 140.12 1tqs n PRO 990 Ca -0.01 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1tqs n PRO 990 Cb 0.49 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1tqs n PRO 990 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1tqs n GLU 991 N -0.04 0.00 -0.75 -0.52 4.07 -1.26 -5.06 120.64 117.07 1tqs n GLU 991 Ca 0.11 0.50 0.09 0.00 -0.06 0.00 0.00 57.16 57.81 1tqs n GLU 991 Cb 0.43 -1.46 -0.04 0.00 -0.06 0.00 0.00 31.44 30.31 1tqs n GLU 991 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1tqs n GLU 992 N -2.00 -1.69 0.00 5.31 -0.00 -1.26 -4.99 120.64 116.01 1tqs n GLU 992 Ca 0.00 1.32 0.00 0.00 -0.00 0.00 0.00 57.16 58.48 1tqs n GLU 992 Cb 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 31.44 29.45 1tqs n GLU 992 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1tqs n HIS 993 N -3.35 0.00 -1.61 -1.84 8.25 -1.26 -5.03 115.22 110.38 1tqs n HIS 993 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1tqs n HIS 993 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1tqs n HIS 993 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1tqs n THR 994 N 0.00 -4.30 -4.06 1.59 -2.24 -1.26 -5.02 114.28 98.99 1tqs n THR 994 Ca 0.00 2.00 -0.28 0.00 -2.27 0.00 0.00 64.05 63.50 1tqs n THR 994 Cb 0.00 -2.84 -0.06 0.00 -2.10 0.00 0.00 70.33 65.33 1tqs n THR 994 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1tqs s GLN 995 N -3.90 2.93 0.25 -0.78 -0.21 -0.71 -4.94 119.66 112.30 1tqs s GLN 995 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.32 1tqs s GLN 995 Cb 0.00 -2.71 -0.10 0.00 1.00 0.00 0.00 33.01 31.20 1tqs s GLN 995 CO 0.00 0.52 1.39 0.21 -2.12 0.00 0.00 175.29 175.29 1tqs s LYS 996 N -2.79 4.31 -0.28 2.91 2.20 -1.26 -4.18 119.74 120.65 1tqs s LYS 996 Ca 0.30 2.23 -0.09 0.00 -0.36 0.00 0.00 55.97 58.06 1tqs s LYS 996 Cb -0.11 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1tqs s LYS 996 CO 0.23 -0.34 0.13 -1.17 -0.36 0.00 0.00 175.35 173.84 1tqs s LEU 997 N -0.60 3.81 -0.40 5.43 2.96 -1.26 -4.87 118.68 123.75 1tqs s LEU 997 Ca 0.57 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 1tqs s LEU 997 Cb -0.40 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.39 1tqs s LEU 997 CO 0.44 -0.09 0.17 -0.62 -1.32 0.00 0.00 176.35 174.93 1tqs s ASP 998 N 1.66 5.10 0.57 3.68 3.68 -1.26 -4.52 116.67 125.57 1tqs s ASP 998 Ca 0.06 -2.12 0.33 0.00 2.13 0.00 0.00 52.55 52.95 1tqs s ASP 998 Cb -0.16 -1.77 1.73 0.00 -1.45 0.00 0.00 42.92 41.27 1tqs s ASP 998 CO 0.06 -0.49 2.16 -0.37 0.13 0.00 0.00 175.17 176.67 1tqs h VAL 999 N 6.38 0.36 0.00 1.11 -1.51 -1.96 -1.96 116.25 118.67 1tqs h VAL 999 Ca -0.10 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1tqs h VAL 999 Cb 1.03 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1tqs h VAL 999 CO 0.65 0.06 0.00 0.00 -1.23 0.00 0.00 177.57 177.04 1tqs n HIS 1001N -2.47 0.84 0.18 0.00 8.25 -0.74 -4.50 115.22 116.78 1tqs n HIS 1001Ca 0.01 -0.59 0.03 0.00 -0.26 0.00 0.00 57.72 56.92 1tqs n HIS 1001Cb 0.23 -0.12 0.35 0.00 1.12 0.00 0.00 29.99 31.57 1tqs n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1tqs h LEU 1002N 2.76 0.00 -9.43 2.41 3.38 -1.48 -3.43 115.31 109.53 1tqs h LEU 1002Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1tqs h LEU 1002Cb 1.04 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 1tqs h LEU 1002CO 0.09 0.39 -0.67 -0.76 0.09 0.00 0.00 178.44 177.58 1tqs s LEU 1003N -7.90 3.43 0.86 1.67 1.43 -1.26 -5.12 118.68 111.78 1tqs s LEU 1003Ca -0.02 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1tqs s LEU 1003Cb 0.14 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.33 1tqs s LEU 1003CO 0.72 0.19 1.13 -2.16 0.23 0.00 0.00 176.35 176.46 1tqs s PRO 1004N -2.16 1.59 -1.33 1.29 0.04 -1.26 -4.33 135.00 128.84 1tqs s PRO 1004Ca 0.24 0.35 -0.05 0.00 0.04 0.00 0.00 61.00 61.58 1tqs s PRO 1004Cb -0.12 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1tqs s PRO 1004CO 0.16 -1.90 1.01 0.09 0.04 0.00 0.00 177.00 176.40 1tqs n ASN 1005N -3.57 -3.81 -4.73 6.66 5.03 -1.26 -4.79 115.26 108.78 1tqs n ASN 1005Ca 0.07 -0.65 -0.41 0.00 0.87 0.00 0.00 54.58 54.45 1tqs n ASN 1005Cb 0.59 -4.70 -0.03 0.00 -1.02 0.00 0.00 39.78 34.61 1tqs n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1tqs s VAL 1006N -3.39 3.49 -0.03 2.41 0.11 -1.26 -2.43 120.40 119.29 1tqs s VAL 1006Ca 0.31 1.19 0.06 0.00 -2.93 0.00 0.00 61.98 60.61 1tqs s VAL 1006Cb -0.14 -3.76 -0.09 0.00 -1.53 0.00 0.00 36.38 30.86 1tqs s VAL 1006CO 0.76 0.16 0.15 0.00 -3.33 0.00 0.00 175.10 172.83 1tqs n ALA 1007N 2.98 2.28 -3.54 1.54 0.00 0.11 -4.92 120.51 118.96 1tqs n ALA 1007Ca 0.07 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1tqs n ALA 1007Cb 0.44 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 1tqs n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1tqs s ARG 1008N -2.34 0.93 -0.05 0.00 3.52 -1.16 -4.98 118.95 114.87 1tqs s ARG 1008Ca -0.02 0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.82 1tqs s ARG 1008Cb 0.04 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 1tqs s ARG 1008CO 0.25 -0.29 -0.05 0.00 -0.81 0.00 0.00 175.30 174.41 1tqs s GLU 1010N 0.99 1.06 0.10 0.00 0.41 -0.29 -1.39 118.70 119.58 1tqs s GLU 1010Ca -0.10 -0.51 -0.24 0.00 -0.41 0.00 0.00 54.97 53.71 1tqs s GLU 1010Cb -0.14 -1.03 -0.07 0.00 -1.78 0.00 0.00 34.13 31.11 1tqs s GLU 1010CO -0.00 0.28 0.73 0.50 -0.49 0.00 0.00 175.26 176.28 1tqs s ARG 1011N -0.42 4.48 0.28 1.61 3.52 -0.07 -0.67 118.95 127.67 1tqs s ARG 1011Ca 0.05 1.04 0.03 0.00 -0.13 0.00 0.00 55.73 56.71 1tqs s ARG 1011Cb -0.05 -3.30 -0.06 0.00 -1.56 0.00 0.00 34.95 29.98 1tqs s ARG 1011CO -0.00 0.48 0.07 0.95 -0.81 0.00 0.00 175.30 175.98 1tqs s THR 1012N -0.73 0.88 1.01 4.11 -4.23 -0.09 -0.03 115.64 116.56 1tqs s THR 1012Ca 0.35 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 1tqs s THR 1012Cb -0.21 -2.65 0.17 0.00 1.34 0.00 0.00 72.50 71.15 1tqs s THR 1012CO 0.24 -0.05 0.96 0.35 -0.54 0.00 0.00 174.62 175.57 1tqs n THR 1013N -0.55 0.00 0.32 3.99 -2.24 -0.63 -3.94 114.28 111.24 1tqs n THR 1013Ca -0.02 -0.17 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 1tqs n THR 1013Cb 0.66 -0.93 0.65 0.00 -2.10 0.00 0.00 70.33 68.61 1tqs n THR 1013CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1tqs h LEU 1014N -2.10 0.00 -0.63 3.22 3.38 -1.71 0.15 115.31 117.62 1tqs h LEU 1014Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1tqs h LEU 1014Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1tqs h LEU 1014CO 0.42 0.00 -0.08 0.35 0.09 0.00 0.00 178.44 179.23 1tqs n THR 1015N -2.61 0.00 -0.99 0.22 -2.24 -1.26 -4.93 114.28 102.47 1tqs n THR 1015Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1tqs n THR 1015Cb 0.21 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1tqs n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1tqs n PHE 1016N -0.33 0.00 0.72 4.78 0.99 0.04 -4.91 117.46 118.74 1tqs n PHE 1016Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.74 1tqs n PHE 1016Cb 0.31 -0.99 0.20 0.00 -1.00 0.00 0.00 39.48 38.00 1tqs n PHE 1016CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1tqs n LEU 1017N 0.00 0.61 -3.84 4.37 4.77 -1.26 -4.82 117.00 116.82 1tqs n LEU 1017Ca 0.00 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1tqs n LEU 1017Cb 0.24 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 1tqs n LEU 1017CO 0.00 0.01 -0.37 -1.58 -1.33 0.00 0.00 177.39 174.12 1tqs s GLN 1018N -3.11 0.18 -0.05 3.23 0.74 -1.26 -5.01 119.66 114.38 1tqs s GLN 1018Ca 0.08 0.04 -0.28 0.00 0.05 0.00 0.00 55.36 55.25 1tqs s GLN 1018Cb 0.15 -0.32 -0.03 0.00 1.10 0.00 0.00 33.01 33.92 1tqs s GLN 1018CO 0.71 -0.07 0.91 -0.80 -0.55 0.00 0.00 175.29 175.49 1tqs s ASN 1019N 0.63 7.22 -0.11 6.67 0.01 -1.26 -1.60 114.94 126.50 1tqs s ASN 1019Ca -0.06 1.48 0.11 0.00 -0.71 0.00 0.00 52.86 53.68 1tqs s ASN 1019Cb -0.09 -2.52 -0.16 0.00 0.41 0.00 0.00 41.25 38.89 1tqs s ASN 1019CO -0.01 -0.27 0.07 0.18 -1.51 0.00 0.00 177.10 175.55 1tqs n LEU 1020N 4.20 0.00 -3.68 0.60 4.77 0.95 -4.96 117.00 118.89 1tqs n LEU 1020Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1tqs n LEU 1020Cb 0.50 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.78 1tqs n LEU 1020CO 0.50 0.27 0.24 -0.70 -1.33 0.00 0.00 177.39 176.38 1tqs s GLU 1021N -2.36 0.63 -0.19 3.23 2.12 -1.01 -4.97 118.70 116.14 1tqs s GLU 1021Ca -0.06 0.86 -0.16 0.00 0.36 0.00 0.00 54.97 55.97 1tqs s GLU 1021Cb 0.04 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 1tqs s GLU 1021CO 0.51 -0.10 0.40 -1.58 -0.54 0.00 0.00 175.26 173.95 1tqs s HIS 1022N 0.71 3.39 -0.20 5.30 5.65 -1.26 -0.90 115.29 127.98 1tqs s HIS 1022Ca -0.03 0.63 -0.13 0.00 0.25 0.00 0.00 55.06 55.78 1tqs s HIS 1022Cb -0.05 -2.52 -0.05 0.00 -1.18 0.00 0.00 32.58 28.79 1tqs s HIS 1022CO -0.05 0.02 0.26 -0.51 -0.65 0.00 0.00 174.74 173.81 1tqs s LEU 1023N 1.22 4.19 0.33 8.88 1.43 -0.49 -4.98 118.68 129.26 1tqs s LEU 1023Ca 0.19 0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 1tqs s LEU 1023Cb -0.15 -2.31 -0.11 0.00 0.03 0.00 0.00 46.19 43.65 1tqs s LEU 1023CO 0.08 0.06 1.53 0.47 0.23 0.00 0.00 176.35 178.72 1tqs n ASP 1024N 3.96 3.74 -0.27 2.29 8.00 -1.26 -1.94 116.55 131.07 1tqs n ASP 1024Ca -0.12 1.18 -0.04 0.00 0.71 0.00 0.00 54.79 56.53 1tqs n ASP 1024Cb 0.52 -1.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.01 1tqs n ASP 1024CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tqs n GLY 1025N 1.37 0.46 2.65 0.44 0.00 -1.26 -2.47 105.19 106.38 1tqs n GLY 1025Ca 0.05 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1tqs n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tqs n MET 1026N -0.60 -2.99 -4.38 1.61 2.81 -0.82 -4.98 117.12 107.77 1tqs n MET 1026Ca -0.04 0.97 -0.34 0.00 -1.81 0.00 0.00 57.70 56.48 1tqs n MET 1026Cb 0.40 -5.72 -0.12 0.00 -0.71 0.00 0.00 33.22 27.08 1tqs n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1tqs s VAL 1027N -3.09 3.95 -0.37 2.03 1.01 -1.03 -4.61 120.40 118.28 1tqs s VAL 1027Ca 0.12 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1tqs s VAL 1027Cb -0.05 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1tqs s VAL 1027CO 0.15 0.49 0.40 0.00 0.00 0.00 0.00 175.10 176.15 1tqs s ALA 1028N 0.35 3.47 0.59 5.51 0.00 -1.26 -4.69 121.76 125.74 1tqs s ALA 1028Ca -0.04 -1.28 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 1tqs s ALA 1028Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1tqs s ALA 1028CO 0.03 -1.25 1.12 -2.14 0.00 0.00 0.00 175.76 173.52 1tqs s PRO 1029N 2.10 3.13 0.82 0.00 0.02 -1.26 -4.44 135.00 135.38 1tqs s PRO 1029Ca 0.13 1.51 -0.11 0.00 0.02 0.00 0.00 61.00 62.54 1tqs s PRO 1029Cb -0.17 -1.98 0.08 0.00 0.02 0.00 0.00 34.50 32.45 1tqs s PRO 1029CO 0.12 -1.01 1.09 -1.21 -0.33 0.00 0.00 177.00 175.67 1tqs s GLU 1030N -3.63 1.90 0.31 5.54 2.02 -1.26 -5.02 118.70 118.55 1tqs s GLU 1030Ca 0.70 0.76 0.06 0.00 0.02 0.00 0.00 54.97 56.51 1tqs s GLU 1030Cb -0.22 -1.89 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1tqs s GLU 1030CO 0.33 -1.78 0.44 0.14 0.02 0.00 0.00 175.26 174.41 1tqs s VAL 1031N -3.06 4.44 0.66 2.63 -7.23 -1.26 -5.11 120.40 111.48 1tqs s VAL 1031Ca 0.61 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.69 1tqs s VAL 1031Cb -0.16 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 1tqs s VAL 1031CO 0.55 -0.22 1.06 0.00 -0.31 0.00 0.00 175.10 176.19 1tqs n PRO 1033N -2.89 2.09 -0.97 0.00 -0.02 -1.26 -1.17 135.00 130.78 1tqs n PRO 1033Ca 0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1tqs n PRO 1033Cb 0.56 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1tqs n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1tqs n MET 1034N 1.72 -0.82 -4.02 -0.52 2.81 0.76 -4.93 117.12 112.13 1tqs n MET 1034Ca 0.10 0.20 -0.24 0.00 -1.81 0.00 0.00 57.70 55.95 1tqs n MET 1034Cb 0.33 -3.88 -0.04 0.00 -0.71 0.00 0.00 33.22 28.92 1tqs n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1tqs s GLU 1035N -0.88 3.20 -0.04 0.03 0.41 -0.32 -4.93 118.70 116.17 1tqs s GLU 1035Ca 0.00 -0.79 0.02 0.00 -0.41 0.00 0.00 54.97 53.79 1tqs s GLU 1035Cb 0.00 -2.79 0.01 0.00 -1.78 0.00 0.00 34.13 29.58 1tqs s GLU 1035CO 0.00 0.47 -0.07 0.99 -0.49 0.00 0.00 175.26 176.16 1tqs s THR 1036N -1.86 0.67 0.14 3.63 2.01 -1.26 -1.64 115.64 117.32 1tqs s THR 1036Ca 0.33 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1tqs s THR 1036Cb -0.10 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1tqs s THR 1036CO 0.27 0.24 -0.09 0.00 -0.69 0.00 0.00 174.62 174.34 1tqs s ALA 1037N 0.62 1.36 0.04 7.40 0.00 -0.30 -4.99 121.76 125.89 1tqs s ALA 1037Ca -0.09 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.48 1tqs s ALA 1037Cb -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1tqs s ALA 1037CO 0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 175.76 175.44 1tqs s ALA 1038N -3.36 1.79 0.02 0.00 0.00 -1.25 -0.61 121.76 118.34 1tqs s ALA 1038Ca 0.16 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1tqs s ALA 1038Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1tqs s ALA 1038CO -0.00 0.41 -0.06 0.71 0.00 0.00 0.00 175.76 176.81 1tqs s TYR 1039N -0.76 0.56 -0.13 0.00 1.51 -0.03 -0.92 117.35 117.59 1tqs s TYR 1039Ca 0.08 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1tqs s TYR 1039Cb -0.09 -0.35 0.02 0.00 -0.11 0.00 0.00 41.96 41.43 1tqs s TYR 1039CO 0.01 -0.06 -0.16 0.08 -1.11 0.00 0.00 175.55 174.31 1tqs s VAL 1040N -0.87 1.63 -0.08 0.71 1.01 0.15 -0.52 120.40 122.42 1tqs s VAL 1040Ca -0.05 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1tqs s VAL 1040Cb -0.07 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1tqs s VAL 1040CO 0.00 0.47 0.17 -0.94 0.00 0.00 0.00 175.10 174.80 1tqs s SER 1041N 1.10 6.42 -0.06 3.32 1.04 -0.07 -1.14 113.70 124.30 1tqs s SER 1041Ca -0.03 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.90 1tqs s SER 1041Cb -0.14 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1tqs s SER 1041CO -0.04 0.37 -0.12 -0.44 0.98 0.00 0.00 173.24 173.99 1tqs s SER 1042N -1.25 4.24 -0.02 7.02 0.01 0.04 -1.02 113.70 122.72 1tqs s SER 1042Ca 0.19 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1tqs s SER 1042Cb -0.12 -0.97 0.01 0.00 0.21 0.00 0.00 66.02 65.14 1tqs s SER 1042CO 0.08 0.35 -0.06 -1.00 0.41 0.00 0.00 173.24 173.01 1tqs s HIS 1043N -0.73 0.72 -2.49 2.43 3.76 0.26 0.05 115.29 119.29 1tqs s HIS 1043Ca 0.11 -0.16 0.28 0.00 -0.15 0.00 0.00 55.06 55.14 1tqs s HIS 1043Cb -0.11 -0.54 1.07 0.00 1.11 0.00 0.00 32.58 34.12 1tqs s HIS 1043CO 0.01 -0.09 1.76 -1.13 -0.85 0.00 0.00 174.74 174.44