#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ps3 s GLN 32 N 0.00 3.97 -0.21 0.00 -0.21 -1.26 -4.97 119.66 116.98 1ps3 s GLN 32 Ca 0.00 1.98 -0.27 0.00 0.02 0.00 0.00 55.36 57.09 1ps3 s GLN 32 Cb 0.00 -2.68 -0.00 0.00 1.00 0.00 0.00 33.01 31.33 1ps3 s GLN 32 CO 0.00 -0.43 0.93 0.34 -2.12 0.00 0.00 175.29 174.01 1ps3 s ASP 33 N -0.98 7.01 -0.02 5.90 3.68 -1.26 -4.86 116.67 126.14 1ps3 s ASP 33 Ca 0.58 1.25 0.15 0.00 2.13 0.00 0.00 52.55 56.66 1ps3 s ASP 33 Cb -0.34 -2.49 0.47 0.00 -1.45 0.00 0.00 42.92 39.11 1ps3 s ASP 33 CO 0.43 -0.55 1.38 1.33 0.13 0.00 0.00 175.17 177.89 1ps3 n VAL 34 N 5.12 0.84 -0.01 1.11 0.24 -1.26 -4.44 118.33 119.93 1ps3 n VAL 34 Ca 0.08 -0.72 -0.01 0.00 -2.04 0.00 0.00 64.34 61.65 1ps3 n VAL 34 Cb 0.47 0.26 -0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1ps3 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1ps3 n VAL 35 N 0.93 0.06 0.42 3.34 0.31 -1.26 -4.88 118.33 117.26 1ps3 n VAL 35 Ca 0.17 -0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.60 1ps3 n VAL 35 Cb 0.49 -1.23 0.14 0.00 -0.91 0.00 0.00 33.84 32.33 1ps3 n VAL 35 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ps3 h GLN 36 N -0.03 0.00 -4.62 5.55 4.20 -1.91 -3.39 115.11 114.91 1ps3 h GLN 36 Ca -0.03 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 57.98 1ps3 h GLN 36 Cb 1.03 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.52 1ps3 h GLN 36 CO -0.01 0.00 -0.57 -0.51 -0.67 0.00 0.00 178.83 177.06 1ps3 s ASP 37 N -4.69 5.40 -0.25 1.46 1.01 -1.26 -4.86 116.67 113.47 1ps3 s ASP 37 Ca 0.05 -1.23 -0.29 0.00 0.71 0.00 0.00 52.55 51.79 1ps3 s ASP 37 Cb 0.12 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.13 1ps3 s ASP 37 CO 0.73 -0.38 1.48 -0.69 0.21 0.00 0.00 175.17 176.53 1ps3 s VAL 38 N 1.41 3.88 0.50 -1.27 1.01 -1.26 -4.72 120.40 119.94 1ps3 s VAL 38 Ca -0.00 0.99 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 1ps3 s VAL 38 Cb -0.20 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1ps3 s VAL 38 CO 0.03 -0.37 1.31 -2.65 0.00 0.00 0.00 175.10 173.41 1ps3 n PRO 39 N 7.52 1.79 -3.47 2.72 -0.02 -1.26 -4.96 135.00 137.32 1ps3 n PRO 39 Ca 0.17 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 1ps3 n PRO 39 Cb 0.46 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 1ps3 n PRO 39 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ps3 s ASN 40 N -0.74 5.96 0.24 2.55 2.47 -1.26 -5.06 114.94 119.10 1ps3 s ASN 40 Ca 0.67 -1.32 0.11 0.00 0.42 0.00 0.00 52.86 52.74 1ps3 s ASN 40 Cb -0.45 -2.11 -0.05 0.00 -1.45 0.00 0.00 41.25 37.19 1ps3 s ASN 40 CO 0.53 -0.58 -0.21 0.68 -3.72 0.00 0.00 177.10 173.80 1ps3 s VAL 41 N 1.57 2.37 0.19 -5.21 -7.23 -1.26 -5.04 120.40 105.79 1ps3 s VAL 41 Ca 0.04 -2.24 -0.03 0.00 -1.81 0.00 0.00 61.98 57.93 1ps3 s VAL 41 Cb -0.23 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 1ps3 s VAL 41 CO 0.06 -0.31 1.51 0.44 -0.31 0.00 0.00 175.10 176.49 1ps3 h ASP 42 N 2.66 0.64 -3.24 4.85 3.32 -1.88 -3.42 116.42 119.34 1ps3 h ASP 42 Ca -0.42 -0.33 -0.48 0.00 0.02 0.00 0.00 57.03 55.82 1ps3 h ASP 42 Cb 1.24 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 40.23 1ps3 h ASP 42 CO 0.55 1.04 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.64 1ps3 s VAL 43 N -4.04 0.69 -0.24 -1.35 1.01 -0.62 -4.99 120.40 110.87 1ps3 s VAL 43 Ca -0.08 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1ps3 s VAL 43 Cb 0.11 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.77 1ps3 s VAL 43 CO 0.84 0.31 -0.12 -1.58 0.00 0.00 0.00 175.10 174.55 1ps3 s GLN 44 N 1.73 2.32 0.40 2.72 -0.44 -1.26 -1.53 119.66 123.60 1ps3 s GLN 44 Ca 0.03 -1.21 0.17 0.00 -2.50 0.00 0.00 55.36 51.85 1ps3 s GLN 44 Cb -0.13 -2.79 1.06 0.00 -1.64 0.00 0.00 33.01 29.52 1ps3 s GLN 44 CO -0.06 -0.50 1.83 0.52 0.50 0.00 0.00 175.29 177.58 1ps3 h MET 45 N 7.82 0.42 -0.42 1.67 2.86 -1.67 0.88 114.93 126.49 1ps3 h MET 45 Ca -0.24 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.22 1ps3 h MET 45 Cb 1.06 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1ps3 h MET 45 CO 0.49 0.28 -0.33 1.25 1.06 0.00 0.00 176.91 179.66 1ps3 h LEU 46 N 0.44 1.01 -0.32 1.22 5.85 -1.94 -0.40 115.31 121.17 1ps3 h LEU 46 Ca 0.51 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1ps3 h LEU 46 Cb 1.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ps3 h LEU 46 CO -0.22 1.24 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.95 1ps3 h GLU 47 N 0.80 0.63 -0.48 1.25 4.22 -1.62 -2.10 114.58 117.27 1ps3 h GLU 47 Ca 0.08 -0.25 0.04 0.00 0.08 0.00 0.00 59.36 59.31 1ps3 h GLU 47 Cb 0.92 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 1ps3 h GLU 47 CO 0.09 0.82 0.24 1.25 -2.18 0.00 0.00 179.01 179.23 1ps3 h LEU 48 N 0.40 0.35 -1.62 1.64 5.85 -0.77 -1.60 115.31 119.56 1ps3 h LEU 48 Ca 0.08 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ps3 h LEU 48 Cb 0.60 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1ps3 h LEU 48 CO 0.04 0.25 0.17 1.88 -0.34 0.00 0.00 178.44 180.43 1ps3 h TYR 49 N 0.48 0.41 -0.39 1.25 -1.99 -0.90 -0.88 116.97 114.94 1ps3 h TYR 49 Ca 0.21 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.84 1ps3 h TYR 49 Cb 0.11 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 1ps3 h TYR 49 CO -0.10 0.29 -0.17 0.22 -0.00 0.00 0.00 178.16 178.40 1ps3 h ASP 50 N 0.43 0.74 0.33 3.88 -0.00 -0.60 -3.28 116.42 117.91 1ps3 h ASP 50 Ca 0.11 -0.24 -0.33 0.00 -0.00 0.00 0.00 57.03 56.57 1ps3 h ASP 50 Cb 0.02 -0.20 0.02 0.00 -0.00 0.00 0.00 39.33 39.17 1ps3 h ASP 50 CO -0.02 0.91 -1.53 0.03 -0.00 0.00 0.00 179.24 178.63 1ps3 h ARG 51 N 0.66 0.42 -6.88 0.28 3.08 -0.95 -3.48 114.38 107.50 1ps3 h ARG 51 Ca 0.10 -0.72 -0.56 0.00 0.07 0.00 0.00 59.98 58.87 1ps3 h ARG 51 Cb 0.65 0.27 0.14 0.00 0.08 0.00 0.00 29.97 31.11 1ps3 h ARG 51 CO 0.05 1.33 0.41 -1.33 -1.07 0.00 0.00 179.97 179.35 1ps3 n MET 52 N -3.61 1.54 0.05 0.04 2.81 -0.39 -4.96 117.12 112.59 1ps3 n MET 52 Ca -0.18 0.56 0.08 0.00 -1.81 0.00 0.00 57.70 56.35 1ps3 n MET 52 Cb 1.08 -2.36 -0.07 0.00 -0.71 0.00 0.00 33.22 31.15 1ps3 n MET 52 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ps3 n SER 53 N -0.42 0.57 -3.68 7.83 7.64 -1.26 -4.99 113.62 119.31 1ps3 n SER 53 Ca 0.10 0.23 -0.28 0.00 1.01 0.00 0.00 58.87 59.93 1ps3 n SER 53 Cb 0.43 0.85 0.03 0.00 -1.01 0.00 0.00 64.21 64.50 1ps3 n SER 53 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ps3 n PHE 54 N -2.61 -2.21 -2.59 1.43 3.01 -1.26 -4.94 117.46 108.29 1ps3 n PHE 54 Ca -0.05 0.78 -0.41 0.00 1.01 0.00 0.00 57.45 58.78 1ps3 n PHE 54 Cb 0.65 -3.92 -0.04 0.00 -0.01 0.00 0.00 39.48 36.17 1ps3 n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1ps3 s LYS 55 N -6.38 4.58 -1.06 -1.08 -0.14 -1.26 -4.98 119.74 109.43 1ps3 s LYS 55 Ca 0.57 1.60 -0.05 0.00 -1.36 0.00 0.00 55.97 56.73 1ps3 s LYS 55 Cb -0.28 -3.35 0.29 0.00 -1.68 0.00 0.00 37.83 32.81 1ps3 s LYS 55 CO 0.70 0.02 1.27 -3.47 -0.76 0.00 0.00 175.35 173.12 1ps3 n ASP 56 N 3.07 5.83 -4.94 2.83 2.03 -1.26 -5.00 116.55 119.10 1ps3 n ASP 56 Ca 0.04 -3.27 -0.26 0.00 0.52 0.00 0.00 54.79 51.82 1ps3 n ASP 56 Cb 0.48 -1.26 -0.03 0.00 -0.72 0.00 0.00 41.12 39.59 1ps3 n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1ps3 s ILE 57 N -2.19 5.31 -0.48 5.18 -4.36 -1.26 -5.04 121.20 118.35 1ps3 s ILE 57 Ca 0.31 -0.66 -0.28 0.00 -0.26 0.00 0.00 60.65 59.76 1ps3 s ILE 57 Cb -0.00 -3.75 0.01 0.00 1.25 0.00 0.00 42.46 39.97 1ps3 s ILE 57 CO 0.02 -0.11 1.47 -0.62 0.24 0.00 0.00 174.94 175.94 1ps3 s ASP 58 N -3.25 6.15 0.00 4.36 3.68 -1.26 -4.60 116.67 121.75 1ps3 s ASP 58 Ca 0.35 0.59 0.16 0.00 2.13 0.00 0.00 52.55 55.78 1ps3 s ASP 58 Cb -0.11 -2.54 0.61 0.00 -1.45 0.00 0.00 42.92 39.42 1ps3 s ASP 58 CO 0.29 -1.63 1.44 0.61 0.13 0.00 0.00 175.17 176.01 1ps3 n GLY 59 N 5.22 0.21 0.00 2.66 0.00 0.04 -5.03 105.19 108.30 1ps3 n GLY 59 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ps3 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ps3 n GLY 60 N 1.04 0.55 0.36 -0.02 0.00 -1.26 -3.77 105.19 102.10 1ps3 n GLY 60 Ca 0.14 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.43 1ps3 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ps3 h VAL 61 N 0.00 1.06 -2.41 1.61 -1.51 -1.93 -2.56 116.25 110.51 1ps3 h VAL 61 Ca 0.00 -0.38 -0.70 0.00 -1.23 0.00 0.00 66.70 64.38 1ps3 h VAL 61 Cb 0.00 -0.16 -0.18 0.00 -2.13 0.00 0.00 31.29 28.82 1ps3 h VAL 61 CO 0.00 0.20 0.91 0.86 -1.23 0.00 0.00 177.57 178.31 1ps3 s TRP 62 N -6.03 3.21 0.39 5.19 -0.00 -1.20 -4.55 118.94 115.95 1ps3 s TRP 62 Ca -0.12 -1.55 0.19 0.00 -0.00 0.00 0.00 56.10 54.61 1ps3 s TRP 62 Cb 0.20 -4.27 1.12 0.00 -0.00 0.00 0.00 33.47 30.52 1ps3 s TRP 62 CO 0.81 -1.45 1.73 0.87 -0.00 0.00 0.00 176.95 178.91 1ps3 h LYS 63 N 8.48 0.36 -0.41 5.86 1.79 -1.74 -0.98 116.57 129.93 1ps3 h LYS 63 Ca 0.19 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1ps3 h LYS 63 Cb 1.00 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1ps3 h LYS 63 CO 1.12 0.24 0.00 1.04 -1.08 0.00 0.00 179.45 180.77 1ps3 n GLN 64 N -4.72 3.20 0.00 3.15 6.02 -1.26 -0.78 117.38 122.99 1ps3 n GLN 64 Ca 0.28 -2.60 0.00 0.00 -0.01 0.00 0.00 57.00 54.67 1ps3 n GLN 64 Cb 0.96 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1ps3 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ps3 n GLY 65 N 0.32 2.67 3.71 1.08 0.00 -0.37 -4.68 105.19 107.93 1ps3 n GLY 65 Ca 0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1ps3 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ps3 s TRP 66 N 3.72 0.16 -0.58 1.61 -2.14 -1.25 -4.19 118.94 116.27 1ps3 s TRP 66 Ca 0.00 -0.58 -0.28 0.00 2.66 0.00 0.00 56.10 57.90 1ps3 s TRP 66 Cb 0.00 0.44 0.02 0.00 -3.10 0.00 0.00 33.47 30.82 1ps3 s TRP 66 CO 0.00 -1.15 1.37 -0.80 -2.66 0.00 0.00 176.95 173.71 1ps3 s ASN 67 N -2.99 6.18 0.22 -2.66 0.01 -1.25 -4.73 114.94 109.72 1ps3 s ASN 67 Ca 0.18 0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 52.22 1ps3 s ASN 67 Cb -0.03 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 1ps3 s ASN 67 CO 0.09 -1.68 1.34 -0.63 -1.51 0.00 0.00 177.10 174.70 1ps3 s ILE 68 N 5.86 3.05 0.04 0.60 1.01 -1.26 -5.03 121.20 125.46 1ps3 s ILE 68 Ca 0.49 0.88 0.07 0.00 0.00 0.00 0.00 60.65 62.09 1ps3 s ILE 68 Cb -0.10 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1ps3 s ILE 68 CO 0.24 0.14 -0.19 -0.54 0.00 0.00 0.00 174.94 174.59 1ps3 s LYS 69 N -0.29 1.28 0.04 2.79 1.02 -1.26 -5.00 119.74 118.32 1ps3 s LYS 69 Ca 0.57 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1ps3 s LYS 69 Cb -0.38 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 1ps3 s LYS 69 CO 0.40 0.35 -0.05 1.52 -0.92 0.00 0.00 175.35 176.65 1ps3 s TYR 70 N -0.78 0.53 -0.27 3.18 -0.85 -1.26 -5.01 117.35 112.88 1ps3 s TYR 70 Ca 0.06 -0.66 -0.27 0.00 -0.52 0.00 0.00 57.07 55.68 1ps3 s TYR 70 Cb -0.08 -0.34 0.01 0.00 0.38 0.00 0.00 41.96 41.93 1ps3 s TYR 70 CO 0.01 -0.18 0.95 0.34 -1.52 0.00 0.00 175.55 175.16 1ps3 s ASP 71 N -1.94 6.90 0.53 -0.18 -1.08 -1.26 -4.92 116.67 114.72 1ps3 s ASP 71 Ca -0.07 1.06 0.19 0.00 -0.52 0.00 0.00 52.55 53.21 1ps3 s ASP 71 Cb -0.05 -2.49 1.36 0.00 -1.46 0.00 0.00 42.92 40.28 1ps3 s ASP 71 CO -0.02 -0.68 2.15 1.55 0.52 0.00 0.00 175.17 178.68 1ps3 h PRO 72 N 7.82 0.00 0.00 4.34 0.13 -1.99 -0.79 132.00 141.50 1ps3 h PRO 72 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ps3 h PRO 72 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ps3 h PRO 72 CO 0.95 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.00 1ps3 n LEU 73 N -4.42 0.00 0.00 1.56 4.77 -1.26 -3.47 117.00 114.18 1ps3 n LEU 73 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1ps3 n LEU 73 Cb 0.14 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.62 1ps3 n LEU 73 CO 0.33 0.00 1.10 0.50 -1.33 0.00 0.00 177.39 177.99 1ps3 h LYS 74 N 0.00 0.53 -6.44 3.23 3.64 -1.54 -3.42 116.57 112.57 1ps3 h LYS 74 Ca 0.00 -0.05 -0.67 0.00 -1.27 0.00 0.00 60.65 58.65 1ps3 h LYS 74 Cb 0.00 -0.11 -0.17 0.00 -0.41 0.00 0.00 32.23 31.54 1ps3 h LYS 74 CO 0.00 0.41 -0.73 0.71 -2.27 0.00 0.00 179.45 177.57 1ps3 s TYR 75 N -5.34 2.78 0.34 1.91 1.51 -1.23 -4.89 117.35 112.44 1ps3 s TYR 75 Ca -0.08 -0.12 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 1ps3 s TYR 75 Cb 0.17 -1.52 0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1ps3 s TYR 75 CO 0.74 0.37 0.65 0.27 -1.11 0.00 0.00 175.55 176.48 1ps3 n ASN 76 N 1.21 -1.90 0.28 2.29 6.94 -0.93 -4.95 115.26 118.20 1ps3 n ASN 76 Ca -0.15 -2.42 0.18 0.00 -0.02 0.00 0.00 54.58 52.17 1ps3 n ASN 76 Cb 0.52 3.19 0.92 0.00 -2.36 0.00 0.00 39.78 42.05 1ps3 n ASN 76 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ps3 h ALA 77 N 2.00 1.44 0.00 -2.53 0.00 -1.95 -0.09 119.26 118.12 1ps3 h ALA 77 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ps3 h ALA 77 Cb 1.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ps3 h ALA 77 CO 0.36 -0.27 -0.75 0.72 0.00 0.00 0.00 179.25 179.32 1ps3 n HIS 78 N -3.23 0.09 -3.33 0.00 8.25 -1.26 -4.63 115.22 111.11 1ps3 n HIS 78 Ca -0.01 0.03 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 1ps3 n HIS 78 Cb 0.31 -0.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.09 1ps3 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ps3 s HIS 79 N -3.06 0.01 0.41 4.41 5.04 -0.05 -5.14 115.29 116.91 1ps3 s HIS 79 Ca 0.08 -1.23 -0.02 0.00 -1.54 0.00 0.00 55.06 52.36 1ps3 s HIS 79 Cb 0.16 -0.51 -0.03 0.00 0.04 0.00 0.00 32.58 32.24 1ps3 s HIS 79 CO 0.76 -0.95 0.65 0.15 -2.34 0.00 0.00 174.74 173.01 1ps3 s LYS 80 N 1.04 3.46 -0.30 2.88 1.02 -1.21 -2.18 119.74 124.45 1ps3 s LYS 80 Ca 0.22 -0.15 -0.14 0.00 0.02 0.00 0.00 55.97 55.92 1ps3 s LYS 80 Cb -0.11 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1ps3 s LYS 80 CO -0.05 -0.03 0.31 -1.17 -0.92 0.00 0.00 175.35 173.49 1ps3 s LEU 81 N -4.50 4.20 -0.24 3.17 2.96 -0.27 -4.86 118.68 119.13 1ps3 s LEU 81 Ca 0.44 -0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 54.15 1ps3 s LEU 81 Cb -0.10 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1ps3 s LEU 81 CO 0.40 -0.20 0.52 -0.54 -1.32 0.00 0.00 176.35 175.21 1ps3 s LYS 82 N 1.94 4.11 -0.16 1.98 1.02 0.11 -1.60 119.74 127.14 1ps3 s LYS 82 Ca 0.11 0.37 -0.01 0.00 0.02 0.00 0.00 55.97 56.46 1ps3 s LYS 82 Cb -0.16 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 1ps3 s LYS 82 CO 0.11 -0.29 -0.13 0.08 -0.92 0.00 0.00 175.35 174.20 1ps3 s VAL 83 N 2.11 2.89 -0.30 3.17 1.01 -0.12 -0.43 120.40 128.73 1ps3 s VAL 83 Ca 0.22 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1ps3 s VAL 83 Cb -0.16 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1ps3 s VAL 83 CO 0.09 0.50 0.05 -0.36 0.00 0.00 0.00 175.10 175.38 1ps3 s PHE 84 N 0.82 3.18 -0.35 5.22 0.40 -0.45 -1.60 117.98 125.19 1ps3 s PHE 84 Ca -0.04 -1.35 -0.17 0.00 -0.60 0.00 0.00 56.93 54.76 1ps3 s PHE 84 Cb -0.15 -2.20 -0.00 0.00 0.51 0.00 0.00 43.02 41.18 1ps3 s PHE 84 CO 0.00 -0.68 0.48 0.08 0.70 0.00 0.00 175.22 175.80 1ps3 s VAL 85 N 1.40 5.05 -0.43 -0.44 1.01 -0.01 -0.86 120.40 126.12 1ps3 s VAL 85 Ca -0.00 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1ps3 s VAL 85 Cb -0.18 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.35 1ps3 s VAL 85 CO 0.01 -0.20 0.27 -0.69 0.00 0.00 0.00 175.10 174.49 1ps3 s VAL 86 N 2.30 4.11 0.23 2.92 1.01 -0.34 -1.11 120.40 129.53 1ps3 s VAL 86 Ca 0.17 -1.55 -0.30 0.00 0.00 0.00 0.00 61.98 60.30 1ps3 s VAL 86 Cb -0.16 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1ps3 s VAL 86 CO 0.13 -0.58 1.35 -2.84 0.00 0.00 0.00 175.10 173.17 1ps3 s PRO 87 N 1.38 4.34 0.17 2.72 0.02 -1.26 -0.22 135.00 142.15 1ps3 s PRO 87 Ca 0.04 2.16 -0.11 0.00 0.02 0.00 0.00 61.00 63.11 1ps3 s PRO 87 Cb -0.24 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1ps3 s PRO 87 CO 0.01 -0.30 0.34 -3.38 -0.33 0.00 0.00 177.00 173.33 1ps3 s HIS 88 N -0.09 0.26 -0.14 6.54 -3.43 -0.36 -2.05 115.29 116.03 1ps3 s HIS 88 Ca 0.57 -0.63 -0.04 0.00 -0.80 0.00 0.00 55.06 54.16 1ps3 s HIS 88 Cb -0.39 0.05 0.06 0.00 -1.43 0.00 0.00 32.58 30.87 1ps3 s HIS 88 CO 0.42 -0.76 0.13 0.45 -2.00 0.00 0.00 174.74 172.98 1ps3 s SER 89 N -2.94 1.59 -0.43 7.38 0.15 -1.26 -3.83 113.70 114.36 1ps3 s SER 89 Ca 0.15 -0.21 -0.28 0.00 0.70 0.00 0.00 55.95 56.30 1ps3 s SER 89 Cb 0.02 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 1ps3 s SER 89 CO -0.01 -0.31 1.08 -2.28 1.20 0.00 0.00 173.24 172.92 1ps3 s HIS 90 N 2.22 2.94 -0.30 3.44 2.46 -0.66 -4.76 115.29 120.63 1ps3 s HIS 90 Ca 0.04 0.80 -0.02 0.00 0.47 0.00 0.00 55.06 56.34 1ps3 s HIS 90 Cb -0.14 -4.12 0.05 0.00 -0.13 0.00 0.00 32.58 28.23 1ps3 s HIS 90 CO -0.08 -1.08 0.01 -0.80 -2.47 0.00 0.00 174.74 170.32 1ps3 s ASN 91 N 2.18 4.93 -0.18 9.88 -0.87 -1.26 -0.21 114.94 129.42 1ps3 s ASN 91 Ca 0.45 -1.24 -0.29 0.00 -1.57 0.00 0.00 52.86 50.20 1ps3 s ASN 91 Cb -0.09 -1.73 -0.00 0.00 -0.02 0.00 0.00 41.25 39.41 1ps3 s ASN 91 CO 0.26 -0.26 1.04 -1.81 -2.57 0.00 0.00 177.10 173.76 1ps3 s ASP 92 N 1.27 7.14 -1.28 -1.22 1.01 -1.26 -4.86 116.67 117.48 1ps3 s ASP 92 Ca -0.05 1.46 -0.09 0.00 0.71 0.00 0.00 52.55 54.58 1ps3 s ASP 92 Cb -0.20 -2.55 -0.07 0.00 1.01 0.00 0.00 42.92 41.12 1ps3 s ASP 92 CO -0.01 -0.59 2.51 -2.65 0.21 0.00 0.00 175.17 174.64 1ps3 n PRO 93 N 5.82 2.87 0.00 8.23 -0.02 -1.26 -4.62 135.00 146.03 1ps3 n PRO 93 Ca 0.11 -1.90 0.00 0.00 -2.02 0.00 0.00 63.50 59.69 1ps3 n PRO 93 Cb 0.47 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1ps3 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ps3 n GLY 94 N 3.74 2.55 0.00 -1.23 0.00 -1.26 -4.56 105.19 104.43 1ps3 n GLY 94 Ca 0.61 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1ps3 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ps3 n TRP 95 N 1.58 0.00 0.72 1.61 -0.00 -1.26 -4.72 117.44 115.37 1ps3 n TRP 95 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 1ps3 n TRP 95 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.37 1ps3 n TRP 95 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13 1ps3 n ILE 96 N -0.34 0.12 -4.25 5.87 -5.35 -1.26 -0.99 119.36 113.17 1ps3 n ILE 96 Ca 0.00 -0.16 -0.14 0.00 -0.27 0.00 0.00 62.75 62.18 1ps3 n ILE 96 Cb 0.00 0.29 -0.10 0.00 -1.74 0.00 0.00 39.64 38.09 1ps3 n ILE 96 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1ps3 s GLN 97 N -3.13 1.09 0.82 6.28 -0.21 -1.26 -4.84 119.66 118.41 1ps3 s GLN 97 Ca 0.06 -1.50 -0.12 0.00 0.02 0.00 0.00 55.36 53.82 1ps3 s GLN 97 Cb 0.15 -0.40 0.08 0.00 1.00 0.00 0.00 33.01 33.84 1ps3 s GLN 97 CO 0.78 -0.06 1.17 0.95 -2.12 0.00 0.00 175.29 176.01 1ps3 s THR 98 N -3.53 2.11 0.13 -0.19 -4.23 -1.26 -4.27 115.64 104.40 1ps3 s THR 98 Ca 0.21 0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.51 1ps3 s THR 98 Cb 0.05 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1ps3 s THR 98 CO 0.02 -0.05 1.64 0.15 -0.54 0.00 0.00 174.62 175.85 1ps3 h PHE 99 N -1.10 -0.61 -0.37 3.99 3.57 -1.89 -0.46 116.94 120.08 1ps3 h PHE 99 Ca -0.47 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 1ps3 h PHE 99 Cb 1.32 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.33 1ps3 h PHE 99 CO 0.32 -0.31 -0.04 1.49 -2.23 0.00 0.00 178.31 177.54 1ps3 h GLU 100 N -0.32 0.59 -0.16 1.11 4.57 -1.96 -0.64 114.58 117.78 1ps3 h GLU 100 Ca 0.09 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1ps3 h GLU 100 Cb 0.44 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1ps3 h GLU 100 CO -0.27 0.64 0.04 0.93 -1.18 0.00 0.00 179.01 179.18 1ps3 h GLU 101 N 0.56 0.25 -0.62 1.92 5.08 -1.77 -1.28 114.58 118.71 1ps3 h GLU 101 Ca 0.11 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1ps3 h GLU 101 Cb 0.42 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1ps3 h GLU 101 CO 0.02 0.38 0.18 1.88 -1.00 0.00 0.00 179.01 180.47 1ps3 h TYR 102 N 0.07 0.98 -0.09 4.33 0.05 -0.94 -1.22 116.97 120.15 1ps3 h TYR 102 Ca 0.05 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1ps3 h TYR 102 Cb 0.24 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 1ps3 h TYR 102 CO 0.00 0.79 0.05 -0.92 -1.05 0.00 0.00 178.16 177.04 1ps3 h TYR 103 N 0.92 0.11 -0.47 4.88 3.20 -0.84 0.22 116.97 124.99 1ps3 h TYR 103 Ca 0.20 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1ps3 h TYR 103 Cb 0.28 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1ps3 h TYR 103 CO 0.02 0.12 -0.21 1.96 -1.64 0.00 0.00 178.16 178.41 1ps3 h GLN 104 N 0.08 0.95 0.04 1.82 1.08 -1.09 -1.68 115.11 116.30 1ps3 h GLN 104 Ca 0.03 -0.39 -0.26 0.00 -1.45 0.00 0.00 58.65 56.58 1ps3 h GLN 104 Cb 0.04 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1ps3 h GLN 104 CO -0.01 1.06 -1.32 0.45 -0.95 0.00 0.00 178.83 178.06 1ps3 h HIS 105 N 0.82 0.15 0.00 2.96 3.86 -1.15 -3.45 115.15 118.34 1ps3 h HIS 105 Ca 0.11 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ps3 h HIS 105 Cb 0.77 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1ps3 h HIS 105 CO 0.05 1.12 0.00 -0.25 0.86 0.00 0.00 177.93 179.71 1ps3 n ASP 106 N -3.32 0.27 -0.24 2.45 8.00 0.70 -4.89 116.55 119.52 1ps3 n ASP 106 Ca -0.09 0.20 0.04 0.00 0.71 0.00 0.00 54.79 55.65 1ps3 n ASP 106 Cb 1.00 0.04 0.16 0.00 -0.02 0.00 0.00 41.12 42.30 1ps3 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ps3 h THR 107 N 0.00 0.62 0.00 -3.53 2.02 -1.41 -0.84 112.91 109.76 1ps3 h THR 107 Ca 0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1ps3 h THR 107 Cb 0.00 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1ps3 h THR 107 CO 0.00 0.06 -0.19 0.07 0.37 0.00 0.00 175.52 175.84 1ps3 h LYS 108 N 0.35 0.00 -0.01 6.66 2.10 -1.54 -0.37 116.57 123.75 1ps3 h LYS 108 Ca 0.38 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.78 1ps3 h LYS 108 Cb 0.60 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.95 1ps3 h LYS 108 CO -0.43 0.19 -1.00 0.45 -2.00 0.00 0.00 179.45 176.65 1ps3 h HIS 109 N 0.00 1.02 -0.11 0.07 3.86 -1.45 -1.32 115.15 117.22 1ps3 h HIS 109 Ca -0.00 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 1ps3 h HIS 109 Cb 0.34 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1ps3 h HIS 109 CO 0.00 1.39 0.07 0.82 0.86 0.00 0.00 177.93 181.07 1ps3 h ILE 110 N 0.37 1.02 -0.29 2.45 2.04 -0.65 -0.10 117.51 122.34 1ps3 h ILE 110 Ca -0.12 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 1ps3 h ILE 110 Cb 1.66 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1ps3 h ILE 110 CO 0.20 0.03 -0.31 -0.07 0.00 0.00 0.00 178.15 178.00 1ps3 h LEU 111 N 0.15 0.64 -0.33 1.44 3.38 -1.12 -0.13 115.31 119.33 1ps3 h LEU 111 Ca 0.04 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1ps3 h LEU 111 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ps3 h LEU 111 CO -0.01 0.91 -0.19 -1.28 0.09 0.00 0.00 178.44 177.95 1ps3 h SER 112 N 0.53 0.74 1.26 -0.43 0.87 -1.05 -2.03 113.55 113.44 1ps3 h SER 112 Ca 0.06 -0.42 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 1ps3 h SER 112 Cb 0.79 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1ps3 h SER 112 CO 0.06 1.00 -0.26 0.78 -0.53 0.00 0.00 176.83 177.89 1ps3 h ASN 113 N 0.48 0.00 -0.36 6.23 2.35 -0.95 -2.64 115.58 120.69 1ps3 h ASN 113 Ca 0.07 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1ps3 h ASN 113 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1ps3 h ASN 113 CO 0.06 0.26 -0.19 0.00 -1.65 0.00 0.00 177.43 175.91 1ps3 h ALA 114 N 1.74 0.51 -0.01 -0.83 0.00 -0.84 0.36 119.26 120.18 1ps3 h ALA 114 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ps3 h ALA 114 Cb 0.96 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ps3 h ALA 114 CO 0.03 0.45 0.00 1.25 0.00 0.00 0.00 179.25 180.99 1ps3 h LEU 115 N 0.56 0.00 0.26 0.00 5.85 -1.23 -0.57 115.31 120.17 1ps3 h LEU 115 Ca 0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1ps3 h LEU 115 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1ps3 h LEU 115 CO 0.06 0.00 -0.12 0.03 -0.34 0.00 0.00 178.44 178.07 1ps3 h ARG 116 N 0.01 -0.33 -0.39 1.25 3.08 -1.35 -1.76 114.38 114.88 1ps3 h ARG 116 Ca 0.01 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1ps3 h ARG 116 Cb 0.00 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1ps3 h ARG 116 CO -0.01 -0.20 -0.14 0.45 -1.07 0.00 0.00 179.97 179.00 1ps3 h HIS 117 N -0.37 0.78 -0.13 3.04 3.86 -0.87 -1.95 115.15 119.52 1ps3 h HIS 117 Ca -0.04 -0.15 -0.18 0.00 -1.16 0.00 0.00 60.37 58.85 1ps3 h HIS 117 Cb 0.28 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1ps3 h HIS 117 CO -0.05 0.81 -0.68 -0.07 0.86 0.00 0.00 177.93 178.80 1ps3 h LEU 118 N 0.64 0.61 -0.33 2.43 3.38 -1.11 -1.60 115.31 119.33 1ps3 h LEU 118 Ca 0.11 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1ps3 h LEU 118 Cb 0.60 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1ps3 h LEU 118 CO 0.04 1.12 0.20 -0.74 0.09 0.00 0.00 178.44 179.15 1ps3 h HIS 119 N 0.38 0.43 0.00 1.13 2.76 -1.14 -2.93 115.15 115.78 1ps3 h HIS 119 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1ps3 h HIS 119 Cb 1.25 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1ps3 h HIS 119 CO 0.05 0.31 0.00 -0.25 -1.30 0.00 0.00 177.93 176.74 1ps3 n ASP 120 N -4.82 0.37 -3.60 3.26 8.00 -0.75 -4.42 116.55 114.59 1ps3 n ASP 120 Ca -0.01 0.54 -0.28 0.00 0.71 0.00 0.00 54.79 55.74 1ps3 n ASP 120 Cb 0.05 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.40 1ps3 n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ps3 s ASN 121 N -3.69 3.04 0.53 -2.24 -0.87 -0.61 -5.01 114.94 106.08 1ps3 s ASN 121 Ca 0.12 -2.89 0.35 0.00 -1.57 0.00 0.00 52.86 48.88 1ps3 s ASN 121 Cb 0.16 -0.84 1.51 0.00 -0.02 0.00 0.00 41.25 42.06 1ps3 s ASN 121 CO 0.55 -0.21 1.79 1.55 -2.57 0.00 0.00 177.10 178.20 1ps3 h PRO 122 N 6.23 0.04 0.00 -0.60 0.13 -1.77 -1.45 132.00 134.57 1ps3 h PRO 122 Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ps3 h PRO 122 Cb 0.90 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ps3 h PRO 122 CO 0.45 0.03 -0.38 0.93 -0.23 0.00 0.00 178.00 178.79 1ps3 h GLU 123 N 0.04 0.00 -6.99 0.86 3.07 -1.95 -3.47 114.58 106.15 1ps3 h GLU 123 Ca 0.59 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.94 1ps3 h GLU 123 Cb 2.25 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 30.22 1ps3 h GLU 123 CO -0.05 0.00 0.49 1.41 -1.40 0.00 0.00 179.01 179.47 1ps3 s MET 124 N -3.23 3.81 0.26 2.33 1.75 -0.55 -4.67 119.30 119.00 1ps3 s MET 124 Ca 0.05 1.80 0.06 0.00 -1.25 0.00 0.00 55.69 56.34 1ps3 s MET 124 Cb 0.09 -2.46 -0.05 0.00 2.84 0.00 0.00 34.83 35.24 1ps3 s MET 124 CO 0.70 -0.52 -0.04 0.15 -0.65 0.00 0.00 175.02 174.66 1ps3 s LYS 125 N -2.62 1.46 -0.28 4.11 -0.14 -1.26 -4.81 119.74 116.20 1ps3 s LYS 125 Ca 0.62 -1.73 -0.22 0.00 -1.36 0.00 0.00 55.97 53.28 1ps3 s LYS 125 Cb -0.29 -0.95 0.09 0.00 -1.68 0.00 0.00 37.83 35.00 1ps3 s LYS 125 CO 0.36 -0.00 0.82 0.12 -0.76 0.00 0.00 175.35 175.89 1ps3 s PHE 126 N -3.16 -0.75 0.06 3.18 5.36 -0.47 -4.40 117.98 117.81 1ps3 s PHE 126 Ca 0.28 1.69 0.05 0.00 -0.96 0.00 0.00 56.93 58.00 1ps3 s PHE 126 Cb 0.04 0.39 -0.04 0.00 -0.34 0.00 0.00 43.02 43.07 1ps3 s PHE 126 CO 0.10 -0.36 -0.07 0.96 -1.46 0.00 0.00 175.22 174.39 1ps3 s ILE 127 N 0.75 3.61 -0.05 3.12 -4.36 -0.87 -1.13 121.20 122.26 1ps3 s ILE 127 Ca -0.03 -1.01 0.02 0.00 -0.26 0.00 0.00 60.65 59.37 1ps3 s ILE 127 Cb -0.05 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 41.03 1ps3 s ILE 127 CO -0.08 0.23 -0.09 0.86 0.24 0.00 0.00 174.94 176.11 1ps3 s TRP 128 N -1.14 1.08 -0.20 1.37 -0.11 0.07 -4.36 118.94 115.64 1ps3 s TRP 128 Ca 0.20 -0.34 -0.08 0.00 1.22 0.00 0.00 56.10 57.11 1ps3 s TRP 128 Cb -0.11 -0.82 -0.10 0.00 -1.50 0.00 0.00 33.47 30.94 1ps3 s TRP 128 CO 0.12 -0.19 -0.25 0.00 -4.62 0.00 0.00 176.95 172.01 1ps3 n ALA 129 N 3.73 1.65 -2.59 5.86 0.00 -1.26 -0.85 120.51 127.05 1ps3 n ALA 129 Ca -0.22 -0.82 -0.41 0.00 0.00 0.00 0.00 53.44 51.98 1ps3 n ALA 129 Cb 0.52 0.20 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 1ps3 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ps3 s GLU 130 N -2.38 3.22 0.49 0.00 8.01 -1.26 -3.96 118.70 122.83 1ps3 s GLU 130 Ca -0.28 -0.40 0.28 0.00 0.01 0.00 0.00 54.97 54.58 1ps3 s GLU 130 Cb 0.10 -4.30 1.16 0.00 -4.31 0.00 0.00 34.13 26.78 1ps3 s GLU 130 CO 0.38 -2.12 1.92 0.82 0.01 0.00 0.00 175.26 176.27 1ps3 h ILE 131 N 6.09 0.34 -0.79 -1.63 1.08 -1.36 -2.79 117.51 118.46 1ps3 h ILE 131 Ca -0.23 -0.82 0.04 0.00 -0.39 0.00 0.00 64.86 63.47 1ps3 h ILE 131 Cb 1.05 1.62 -0.05 0.00 -3.07 0.00 0.00 36.82 36.36 1ps3 h ILE 131 CO 1.28 0.12 0.49 0.77 -0.69 0.00 0.00 178.15 180.12 1ps3 h SER 132 N 0.00 0.78 -0.19 1.72 4.64 -1.49 0.19 113.55 119.21 1ps3 h SER 132 Ca -0.00 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1ps3 h SER 132 Cb 0.61 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1ps3 h SER 132 CO 0.02 0.52 -0.51 1.88 -0.87 0.00 0.00 176.83 177.87 1ps3 h TYR 133 N 0.93 0.89 -0.72 4.77 0.99 -1.76 -2.53 116.97 119.53 1ps3 h TYR 133 Ca 0.33 -0.34 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1ps3 h TYR 133 Cb 0.09 -0.15 -0.03 0.00 1.00 0.00 0.00 36.73 37.63 1ps3 h TYR 133 CO -0.04 1.13 0.36 0.35 -0.00 0.00 0.00 178.16 179.96 1ps3 h PHE 134 N 0.38 1.03 -0.55 4.88 3.57 -1.22 -1.37 116.94 123.66 1ps3 h PHE 134 Ca -0.01 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 1ps3 h PHE 134 Cb 1.13 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1ps3 h PHE 134 CO 0.09 0.75 0.11 0.00 -2.23 0.00 0.00 178.31 177.03 1ps3 h ALA 135 N 1.18 0.73 -0.70 2.41 0.00 -0.67 0.10 119.26 122.31 1ps3 h ALA 135 Ca 0.25 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ps3 h ALA 135 Cb 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1ps3 h ALA 135 CO -0.03 0.46 0.47 -0.09 0.00 0.00 0.00 179.25 180.06 1ps3 h ARG 136 N 0.80 0.92 0.04 0.00 9.65 -1.03 -2.59 114.38 122.17 1ps3 h ARG 136 Ca 0.17 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 58.87 1ps3 h ARG 136 Cb 0.39 -0.21 0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1ps3 h ARG 136 CO 0.01 0.61 -0.53 0.35 2.80 0.00 0.00 179.97 183.21 1ps3 h PHE 137 N 0.95 0.46 -0.52 2.20 3.57 -0.95 -3.35 116.94 119.30 1ps3 h PHE 137 Ca 0.26 -0.28 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1ps3 h PHE 137 Cb -0.10 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1ps3 h PHE 137 CO -0.00 1.13 0.25 -0.92 -2.23 0.00 0.00 178.31 176.54 1ps3 h TYR 138 N -0.34 0.46 0.00 0.41 3.20 -0.63 -1.97 116.97 118.10 1ps3 h TYR 138 Ca -0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1ps3 h TYR 138 Cb 1.30 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.44 1ps3 h TYR 138 CO 0.18 0.21 0.00 0.72 -1.64 0.00 0.00 178.16 177.63 1ps3 n HIS 139 N -4.90 0.00 0.66 -3.82 8.25 -0.99 -1.79 115.22 112.62 1ps3 n HIS 139 Ca 0.05 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.62 1ps3 n HIS 139 Cb 0.15 -0.38 0.14 0.00 1.12 0.00 0.00 29.99 31.02 1ps3 n HIS 139 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ps3 n ASP 140 N -1.38 3.11 -4.87 0.41 9.92 -0.75 -4.96 116.55 118.03 1ps3 n ASP 140 Ca 0.06 -1.96 -0.32 0.00 -0.53 0.00 0.00 54.79 52.04 1ps3 n ASP 140 Cb 0.14 -0.10 -0.05 0.00 -0.64 0.00 0.00 41.12 40.46 1ps3 n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ps3 s LEU 141 N -1.69 4.19 0.75 0.64 1.43 -0.74 -5.09 118.68 118.17 1ps3 s LEU 141 Ca 0.31 0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 1ps3 s LEU 141 Cb 0.20 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.86 1ps3 s LEU 141 CO 0.29 -0.04 1.12 -0.83 0.23 0.00 0.00 176.35 177.11 1ps3 s GLY 142 N -2.29 1.62 0.47 -3.19 0.00 -1.26 -4.81 107.32 97.85 1ps3 s GLY 142 Ca 0.46 -0.40 0.14 0.00 0.00 0.00 0.00 44.72 44.92 1ps3 s GLY 142 CO 0.21 0.02 2.06 -2.09 0.00 0.00 0.00 173.10 173.30 1ps3 h GLU 143 N -0.84 0.27 -0.23 2.90 4.57 -1.98 -1.27 114.58 117.99 1ps3 h GLU 143 Ca -0.46 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1ps3 h GLU 143 Cb 1.28 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1ps3 h GLU 143 CO 0.64 0.18 0.11 -0.97 -1.18 0.00 0.00 179.01 177.78 1ps3 h ASN 144 N 0.28 0.31 -0.16 1.04 -0.73 -2.00 -2.16 115.58 112.15 1ps3 h ASN 144 Ca 0.14 -0.14 -0.17 0.00 1.87 0.00 0.00 56.30 58.01 1ps3 h ASN 144 Cb 0.23 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 1ps3 h ASN 144 CO -0.03 0.36 -0.52 0.11 -0.37 0.00 0.00 177.43 176.98 1ps3 h LYS 145 N 0.24 0.74 -0.96 6.67 1.79 -1.78 -2.62 116.57 120.65 1ps3 h LYS 145 Ca 0.08 -0.45 0.04 0.00 -2.18 0.00 0.00 60.65 58.14 1ps3 h LYS 145 Cb 0.14 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 1ps3 h LYS 145 CO -0.01 1.07 0.63 0.87 -1.08 0.00 0.00 179.45 180.93 1ps3 h LYS 146 N 0.57 1.17 -0.46 3.15 1.57 -1.15 0.13 116.57 121.55 1ps3 h LYS 146 Ca 0.02 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1ps3 h LYS 146 Cb 1.09 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1ps3 h LYS 146 CO 0.11 0.77 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.44 1ps3 h LEU 147 N 1.20 1.02 -0.82 2.94 3.38 -1.29 -0.70 115.31 121.05 1ps3 h LEU 147 Ca 0.38 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1ps3 h LEU 147 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1ps3 h LEU 147 CO -0.12 1.20 0.04 1.56 0.09 0.00 0.00 178.44 181.21 1ps3 h GLN 148 N 0.84 0.93 -0.25 1.13 4.20 -0.96 -2.03 115.11 118.96 1ps3 h GLN 148 Ca 0.10 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1ps3 h GLN 148 Cb 0.83 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1ps3 h GLN 148 CO 0.07 0.89 0.02 1.98 -0.67 0.00 0.00 178.83 181.13 1ps3 h MET 149 N 0.86 0.43 -0.58 1.46 4.05 -0.52 -2.38 114.93 118.25 1ps3 h MET 149 Ca 0.17 -0.13 0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1ps3 h MET 149 Cb 0.46 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1ps3 h MET 149 CO 0.02 0.58 0.39 0.87 0.23 0.00 0.00 176.91 179.00 1ps3 h LYS 150 N 0.23 0.64 -0.30 0.39 1.57 -0.98 -2.57 116.57 115.55 1ps3 h LYS 150 Ca 0.07 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1ps3 h LYS 150 Cb 0.37 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ps3 h LYS 150 CO 0.01 0.42 -0.38 0.66 -0.57 0.00 0.00 179.45 179.59 1ps3 h SER 151 N 0.66 0.86 1.23 0.86 4.64 -1.05 -0.33 113.55 120.41 1ps3 h SER 151 Ca 0.24 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ps3 h SER 151 Cb 0.13 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1ps3 h SER 151 CO -0.07 1.18 0.00 0.16 -0.87 0.00 0.00 176.83 177.24 1ps3 h ILE 152 N 0.56 0.00 0.04 0.95 3.07 -1.15 -0.66 117.51 120.32 1ps3 h ILE 152 Ca 0.04 -0.52 -0.12 0.00 1.55 0.00 0.00 64.86 65.81 1ps3 h ILE 152 Cb 0.98 1.44 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1ps3 h ILE 152 CO 0.09 0.00 -0.60 0.58 -1.05 0.00 0.00 178.15 177.17 1ps3 h VAL 153 N 0.00 1.47 -0.58 0.16 2.07 -1.35 -0.87 116.25 117.15 1ps3 h VAL 153 Ca 0.00 -2.36 0.05 0.00 0.82 0.00 0.00 66.70 65.21 1ps3 h VAL 153 Cb 0.61 3.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.39 1ps3 h VAL 153 CO 0.00 0.59 0.38 0.50 0.02 0.00 0.00 177.57 179.06 1ps3 h LYS 154 N -0.78 0.59 -0.01 1.57 3.64 -0.90 -1.57 116.57 119.11 1ps3 h LYS 154 Ca -0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1ps3 h LYS 154 Cb 1.29 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1ps3 h LYS 154 CO -0.00 0.39 -0.01 0.27 -2.27 0.00 0.00 179.45 177.83 1ps3 n ASN 155 N -4.47 0.94 0.00 4.20 6.94 -0.27 -4.94 115.26 117.67 1ps3 n ASN 155 Ca 0.07 -1.28 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 1ps3 n ASN 155 Cb 0.19 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1ps3 n ASN 155 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ps3 n GLY 156 N 1.12 0.75 0.15 4.83 0.00 -0.59 -4.95 105.19 106.50 1ps3 n GLY 156 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1ps3 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ps3 h GLN 157 N 2.99 0.45 -4.93 1.61 4.20 -1.43 -3.42 115.11 114.58 1ps3 h GLN 157 Ca 0.00 -0.50 -0.65 0.00 0.06 0.00 0.00 58.65 57.56 1ps3 h GLN 157 Cb 0.00 0.15 -0.22 0.00 0.30 0.00 0.00 27.48 27.70 1ps3 h GLN 157 CO 0.00 1.15 -0.61 -1.17 -0.67 0.00 0.00 178.83 177.53 1ps3 s LEU 158 N -8.26 3.55 -0.08 1.46 1.98 -0.55 -1.37 118.68 115.42 1ps3 s LEU 158 Ca -0.13 -0.23 0.04 0.00 -2.89 0.00 0.00 54.13 50.92 1ps3 s LEU 158 Cb 0.04 -1.94 -0.00 0.00 0.66 0.00 0.00 46.19 44.94 1ps3 s LEU 158 CO 0.84 -0.05 -0.21 -0.70 -1.89 0.00 0.00 176.35 174.33 1ps3 s GLU 159 N 1.62 2.51 -0.03 1.98 2.12 -0.29 -4.32 118.70 122.29 1ps3 s GLU 159 Ca 0.06 -0.76 -0.22 0.00 0.36 0.00 0.00 54.97 54.41 1ps3 s GLU 159 Cb -0.15 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.19 1ps3 s GLU 159 CO 0.04 0.21 0.64 -0.06 -0.54 0.00 0.00 175.26 175.56 1ps3 s PHE 160 N 0.23 3.63 -0.13 5.30 0.40 -1.26 -0.75 117.98 125.41 1ps3 s PHE 160 Ca -0.12 1.22 -0.01 0.00 -0.60 0.00 0.00 56.93 57.41 1ps3 s PHE 160 Cb -0.16 -2.71 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 1ps3 s PHE 160 CO 0.06 0.22 -0.09 0.14 0.70 0.00 0.00 175.22 176.25 1ps3 s VAL 161 N 0.30 3.44 0.00 -0.44 -7.23 -0.03 -4.67 120.40 111.77 1ps3 s VAL 161 Ca 0.34 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 1ps3 s VAL 161 Cb -0.18 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1ps3 s VAL 161 CO 0.17 0.52 0.00 0.41 -0.31 0.00 0.00 175.10 175.90 1ps3 n THR 162 N 3.32 0.00 -1.29 5.32 -1.04 0.30 -4.28 114.28 116.61 1ps3 n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1ps3 n THR 162 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1ps3 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ps3 n GLY 163 N 0.00 0.44 3.93 3.41 0.00 -1.26 -4.67 105.19 107.05 1ps3 n GLY 163 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 1ps3 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ps3 s GLY 164 N -2.93 1.57 0.43 -0.02 0.00 -1.25 -1.55 107.32 103.57 1ps3 s GLY 164 Ca 0.00 -0.77 0.13 0.00 0.00 0.00 0.00 44.72 44.08 1ps3 s GLY 164 CO 0.00 -0.55 1.99 -0.25 0.00 0.00 0.00 173.10 174.29 1ps3 h TRP 165 N 0.07 0.45 -3.71 1.90 -0.00 -1.48 -1.98 115.95 111.21 1ps3 h TRP 165 Ca -0.46 0.01 -0.26 0.00 -0.00 0.00 0.00 58.89 58.18 1ps3 h TRP 165 Cb 1.25 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.16 30.19 1ps3 h TRP 165 CO 0.49 0.22 -0.21 1.33 -0.00 0.00 0.00 178.44 180.27 1ps3 n VAL 166 N -4.47 0.00 -3.61 2.65 0.24 -1.26 -1.54 118.33 110.34 1ps3 n VAL 166 Ca 0.09 -1.48 -0.40 0.00 -2.04 0.00 0.00 64.34 60.51 1ps3 n VAL 166 Cb 0.34 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.45 1ps3 n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1ps3 s MET 167 N -2.75 2.78 0.69 7.34 1.75 -1.26 -4.88 119.30 122.98 1ps3 s MET 167 Ca 0.24 -2.38 -0.16 0.00 -1.25 0.00 0.00 55.69 52.14 1ps3 s MET 167 Cb 0.00 -3.92 0.02 0.00 2.84 0.00 0.00 34.83 33.77 1ps3 s MET 167 CO 0.17 -1.20 1.20 -1.25 -0.65 0.00 0.00 175.02 173.29 1ps3 s PRO 168 N 0.24 2.38 0.61 4.11 0.04 -1.26 -3.13 135.00 137.98 1ps3 s PRO 168 Ca 0.15 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 1ps3 s PRO 168 Cb -0.19 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1ps3 s PRO 168 CO -0.04 -1.65 1.18 0.34 0.04 0.00 0.00 177.00 176.87 1ps3 s ASP 169 N -1.99 5.15 0.00 6.66 2.15 0.10 -4.64 116.67 124.10 1ps3 s ASP 169 Ca 0.74 2.29 0.04 0.00 0.43 0.00 0.00 52.55 56.05 1ps3 s ASP 169 Cb -0.29 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 39.79 1ps3 s ASP 169 CO 0.42 -1.62 0.71 -0.62 -0.17 0.00 0.00 175.17 173.90 1ps3 n GLU 170 N -1.80 0.19 -0.12 4.34 1.02 -1.26 -4.43 120.64 118.58 1ps3 n GLU 170 Ca 0.13 -0.92 -0.23 0.00 -0.02 0.00 0.00 57.16 56.11 1ps3 n GLU 170 Cb 0.50 -1.08 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 1ps3 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ps3 n ALA 171 N 0.17 1.03 0.07 0.62 0.00 -1.26 -4.50 120.51 116.64 1ps3 n ALA 171 Ca 0.03 -0.91 0.08 0.00 0.00 0.00 0.00 53.44 52.64 1ps3 n ALA 171 Cb 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1ps3 n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ps3 n ASN 172 N -4.34 0.77 -4.77 0.00 3.02 -1.26 -4.53 115.26 104.15 1ps3 n ASN 172 Ca -0.41 0.31 -0.39 0.00 -0.03 0.00 0.00 54.58 54.06 1ps3 n ASN 172 Cb 0.75 0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 40.43 1ps3 n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ps3 s SER 173 N -5.40 6.26 0.11 6.41 1.04 -1.26 -4.78 113.70 116.08 1ps3 s SER 173 Ca -0.02 2.64 -0.19 0.00 0.48 0.00 0.00 55.95 58.86 1ps3 s SER 173 Cb 0.10 -2.64 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 1ps3 s SER 173 CO 0.81 -0.89 0.60 -2.28 0.98 0.00 0.00 173.24 172.46 1ps3 s HIS 174 N -1.28 3.75 0.47 5.02 2.46 -1.26 -4.13 115.29 120.32 1ps3 s HIS 174 Ca 0.58 1.27 0.19 0.00 0.47 0.00 0.00 55.06 57.57 1ps3 s HIS 174 Cb -0.38 -2.50 1.18 0.00 -0.13 0.00 0.00 32.58 30.75 1ps3 s HIS 174 CO 0.48 0.52 1.96 0.11 -2.47 0.00 0.00 174.74 175.34 1ps3 h TRP 175 N 4.17 0.30 -0.62 3.88 5.08 -1.11 0.11 115.95 127.77 1ps3 h TRP 175 Ca -0.49 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.45 1ps3 h TRP 175 Cb 1.21 -0.09 -0.03 0.00 -3.00 0.00 0.00 29.16 27.24 1ps3 h TRP 175 CO 0.67 0.12 0.24 0.00 -1.28 0.00 0.00 178.44 178.19 1ps3 h ARG 176 N 0.26 0.91 0.00 0.12 3.08 -1.93 -1.31 114.38 115.51 1ps3 h ARG 176 Ca 0.31 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.09 1ps3 h ARG 176 Cb 0.86 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1ps3 h ARG 176 CO -0.07 0.75 -0.68 -0.91 -1.07 0.00 0.00 179.97 177.99 1ps3 h ASN 177 N 0.89 0.00 -0.49 7.04 2.35 -1.40 -1.58 115.58 122.39 1ps3 h ASN 177 Ca 0.21 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1ps3 h ASN 177 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1ps3 h ASN 177 CO -0.02 0.55 -0.05 0.58 -1.65 0.00 0.00 177.43 176.85 1ps3 h VAL 178 N 0.00 1.27 -0.40 2.81 2.07 -0.92 -1.57 116.25 119.50 1ps3 h VAL 178 Ca -0.03 -1.15 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 1ps3 h VAL 178 Cb 1.45 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1ps3 h VAL 178 CO 0.07 0.40 -0.29 0.25 0.02 0.00 0.00 177.57 178.01 1ps3 h LEU 179 N 0.75 0.90 -0.02 2.57 5.85 -1.22 -2.07 115.31 122.06 1ps3 h LEU 179 Ca 0.13 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1ps3 h LEU 179 Cb 0.58 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1ps3 h LEU 179 CO 0.03 1.13 -0.08 0.25 -0.34 0.00 0.00 178.44 179.43 1ps3 h LEU 180 N 0.74 -0.25 -0.97 2.25 5.85 -1.02 -0.05 115.31 121.85 1ps3 h LEU 180 Ca 0.08 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1ps3 h LEU 180 Cb 0.85 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1ps3 h LEU 180 CO 0.07 -0.12 -0.45 0.06 -0.34 0.00 0.00 178.44 177.66 1ps3 h GLN 181 N -0.13 0.13 -0.34 1.25 -0.00 -1.26 -0.69 115.11 114.07 1ps3 h GLN 181 Ca 0.04 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.65 58.56 1ps3 h GLN 181 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.66 1ps3 h GLN 181 CO -0.10 0.56 -0.05 1.25 -0.00 0.00 0.00 178.83 180.49 1ps3 h LEU 182 N 0.11 0.64 -0.79 0.06 5.85 -1.06 -1.05 115.31 119.07 1ps3 h LEU 182 Ca 0.01 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 1ps3 h LEU 182 Cb 0.84 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1ps3 h LEU 182 CO 0.06 0.83 0.02 0.74 -0.34 0.00 0.00 178.44 179.76 1ps3 h THR 183 N 0.43 1.25 -0.49 1.05 2.02 -0.78 -0.69 112.91 115.71 1ps3 h THR 183 Ca 0.09 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1ps3 h THR 183 Cb 0.54 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1ps3 h THR 183 CO 0.03 0.38 0.24 -0.08 0.37 0.00 0.00 175.52 176.46 1ps3 h GLU 184 N 0.87 0.70 -0.08 6.66 4.57 -1.00 -0.09 114.58 126.22 1ps3 h GLU 184 Ca 0.17 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1ps3 h GLU 184 Cb 0.48 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1ps3 h GLU 184 CO 0.02 0.58 -0.12 0.78 -1.18 0.00 0.00 179.01 179.09 1ps3 h GLY 185 N 0.65 0.24 1.87 1.92 0.00 -1.24 -2.89 103.07 103.61 1ps3 h GLY 185 Ca 0.17 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1ps3 h GLY 185 CO -0.02 0.24 -0.44 1.46 0.00 0.00 0.00 176.54 177.77 1ps3 h GLN 186 N -0.24 0.15 -0.53 4.80 4.20 -0.06 -1.40 115.11 122.02 1ps3 h GLN 186 Ca 0.01 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1ps3 h GLN 186 Cb 0.67 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1ps3 h GLN 186 CO 0.03 0.57 -0.10 1.15 -0.67 0.00 0.00 178.83 179.81 1ps3 h THR 187 N 0.12 1.27 -0.41 -0.54 2.02 -1.07 -0.19 112.91 114.10 1ps3 h THR 187 Ca 0.01 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.90 1ps3 h THR 187 Cb 0.84 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1ps3 h THR 187 CO 0.06 0.44 0.07 -0.25 0.37 0.00 0.00 175.52 176.21 1ps3 h TRP 188 N 0.88 0.73 -0.52 3.16 7.01 -1.26 -2.33 115.95 123.61 1ps3 h TRP 188 Ca 0.14 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1ps3 h TRP 188 Cb 0.65 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 1ps3 h TRP 188 CO 0.04 0.71 0.27 -0.07 -2.79 0.00 0.00 178.44 176.60 1ps3 h LEU 189 N 0.54 0.67 -0.71 0.65 3.38 -0.96 -1.03 115.31 117.85 1ps3 h LEU 189 Ca 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ps3 h LEU 189 Cb 0.37 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1ps3 h LEU 189 CO 0.01 0.60 0.31 0.50 0.09 0.00 0.00 178.44 179.95 1ps3 h LYS 190 N 0.70 1.05 -0.12 1.13 3.64 -0.94 0.32 116.57 122.36 1ps3 h LYS 190 Ca 0.18 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1ps3 h LYS 190 Cb 0.09 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1ps3 h LYS 190 CO -0.03 0.85 -0.06 0.37 -2.27 0.00 0.00 179.45 178.31 1ps3 h GLN 191 N 1.01 0.26 0.00 1.90 4.15 -1.23 -2.85 115.11 118.35 1ps3 h GLN 191 Ca 0.24 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.54 1ps3 h GLN 191 Cb 0.17 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1ps3 h GLN 191 CO -0.02 0.61 -1.94 1.19 -1.93 0.00 0.00 178.83 176.73 1ps3 n PHE 192 N -4.68 0.06 0.08 3.99 3.01 -0.41 -4.55 117.46 114.96 1ps3 n PHE 192 Ca -0.06 0.02 0.01 0.00 1.01 0.00 0.00 57.45 58.42 1ps3 n PHE 192 Cb 0.29 -0.54 -0.01 0.00 -0.01 0.00 0.00 39.48 39.22 1ps3 n PHE 192 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1ps3 n MET 193 N -2.29 4.80 -3.78 -1.08 2.81 0.98 -4.95 117.12 113.60 1ps3 n MET 193 Ca -0.04 -0.14 -0.26 0.00 -1.81 0.00 0.00 57.70 55.45 1ps3 n MET 193 Cb 0.58 -0.69 0.04 0.00 -0.71 0.00 0.00 33.22 32.44 1ps3 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1ps3 n ASN 194 N -0.78 -3.94 -3.89 7.83 5.15 -0.31 -4.87 115.26 114.46 1ps3 n ASN 194 Ca 0.01 -0.74 -0.11 0.00 -0.60 0.00 0.00 54.58 53.14 1ps3 n ASN 194 Cb 0.03 -4.20 -0.10 0.00 -0.53 0.00 0.00 39.78 34.98 1ps3 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ps3 s VAL 195 N -3.41 0.10 -0.22 3.44 -7.23 -1.22 -4.98 120.40 106.88 1ps3 s VAL 195 Ca 0.43 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1ps3 s VAL 195 Cb -0.21 -0.56 0.07 0.00 0.56 0.00 0.00 36.38 36.24 1ps3 s VAL 195 CO 0.80 -0.45 0.07 -0.89 -0.31 0.00 0.00 175.10 174.32 1ps3 s THR 196 N -1.76 0.36 0.39 5.32 2.01 -1.26 -3.28 115.64 117.41 1ps3 s THR 196 Ca -0.12 -0.63 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 1ps3 s THR 196 Cb -0.06 -1.03 -0.11 0.00 0.01 0.00 0.00 72.50 71.32 1ps3 s THR 196 CO -0.00 -0.37 1.36 -2.65 -0.69 0.00 0.00 174.62 172.26 1ps3 n PRO 197 N 5.10 2.24 -0.01 4.92 -0.02 -1.26 -4.92 135.00 141.05 1ps3 n PRO 197 Ca -0.07 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.21 1ps3 n PRO 197 Cb 0.46 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.48 1ps3 n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ps3 n THR 198 N 0.14 0.43 -4.86 3.45 -2.24 -1.26 -4.74 114.28 105.20 1ps3 n THR 198 Ca 0.04 -0.71 -0.27 0.00 -2.27 0.00 0.00 64.05 60.84 1ps3 n THR 198 Cb 0.38 0.80 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1ps3 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ps3 s ALA 199 N -0.50 1.60 -0.00 6.98 0.00 -1.26 -0.69 121.76 127.89 1ps3 s ALA 199 Ca 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1ps3 s ALA 199 Cb 0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1ps3 s ALA 199 CO 0.02 0.25 0.02 0.45 0.00 0.00 0.00 175.76 176.50 1ps3 s SER 200 N 0.22 5.28 -0.25 0.00 0.15 -0.33 -0.54 113.70 118.25 1ps3 s SER 200 Ca -0.09 0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.60 1ps3 s SER 200 Cb -0.14 -1.42 0.07 0.00 -1.71 0.00 0.00 66.02 62.82 1ps3 s SER 200 CO 0.04 0.28 0.00 0.86 1.20 0.00 0.00 173.24 175.62 1ps3 s TRP 201 N -1.12 2.06 -0.52 3.44 -0.11 -1.26 -0.75 118.94 120.68 1ps3 s TRP 201 Ca 0.20 -1.64 0.03 0.00 1.22 0.00 0.00 56.10 55.92 1ps3 s TRP 201 Cb -0.12 -1.58 0.15 0.00 -1.50 0.00 0.00 33.47 30.42 1ps3 s TRP 201 CO 0.11 -0.77 0.32 0.00 -4.62 0.00 0.00 176.95 171.99 1ps3 s ALA 202 N 1.51 2.68 -1.19 5.86 0.00 -0.38 -4.87 121.76 125.36 1ps3 s ALA 202 Ca -0.01 -3.01 0.23 0.00 0.00 0.00 0.00 51.96 49.18 1ps3 s ALA 202 Cb -0.18 -1.97 0.16 0.00 0.00 0.00 0.00 23.12 21.13 1ps3 s ALA 202 CO -0.10 -2.05 1.18 0.44 0.00 0.00 0.00 175.76 175.22 1ps3 n ILE 203 N 2.99 0.00 0.00 0.00 -5.35 -1.26 -2.84 119.36 112.90 1ps3 n ILE 203 Ca 0.13 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1ps3 n ILE 203 Cb 0.36 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 1ps3 n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1ps3 n ASP 204 N -1.25 2.48 -4.68 7.28 4.64 -1.26 -4.40 116.55 119.37 1ps3 n ASP 204 Ca 0.06 -0.21 -0.41 0.00 -1.38 0.00 0.00 54.79 52.85 1ps3 n ASP 204 Cb 0.35 0.92 0.02 0.00 -1.04 0.00 0.00 41.12 41.36 1ps3 n ASP 204 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1ps3 n PRO 205 N -1.17 1.71 -2.13 -0.67 -0.02 -1.26 -4.82 135.00 126.64 1ps3 n PRO 205 Ca 0.00 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1ps3 n PRO 205 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1ps3 n PRO 205 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ps3 n PHE 206 N -0.41 3.64 0.00 6.00 3.72 -1.26 -4.37 117.46 124.78 1ps3 n PHE 206 Ca 0.08 -2.93 0.00 0.00 -0.05 0.00 0.00 57.45 54.55 1ps3 n PHE 206 Cb 0.40 -2.36 0.00 0.00 -0.94 0.00 0.00 39.48 36.58 1ps3 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ps3 n GLY 207 N 3.90 2.87 3.19 1.37 0.00 -1.13 -4.60 105.19 110.79 1ps3 n GLY 207 Ca 0.47 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 1ps3 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ps3 s HIS 208 N -2.70 1.45 0.02 1.61 3.76 -1.13 -4.62 115.29 113.68 1ps3 s HIS 208 Ca 0.00 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.60 1ps3 s HIS 208 Cb 0.00 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 32.81 1ps3 s HIS 208 CO 0.00 0.08 -0.20 0.45 -0.85 0.00 0.00 174.74 174.22 1ps3 s SER 209 N -1.34 3.65 0.00 1.40 0.15 -1.26 -0.92 113.70 115.37 1ps3 s SER 209 Ca 0.03 -0.42 0.13 0.00 0.70 0.00 0.00 55.95 56.39 1ps3 s SER 209 Cb -0.09 -0.56 0.65 0.00 -1.71 0.00 0.00 66.02 64.30 1ps3 s SER 209 CO 0.02 0.28 1.30 -0.81 1.20 0.00 0.00 173.24 175.23 1ps3 n PRO 210 N 1.80 0.20 0.21 5.44 -0.04 -1.26 -2.11 135.00 139.23 1ps3 n PRO 210 Ca -0.16 0.15 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1ps3 n PRO 210 Cb 0.52 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.92 1ps3 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1ps3 h THR 211 N 0.00 1.18 0.60 0.52 2.02 -1.94 -2.57 112.91 112.71 1ps3 h THR 211 Ca 0.00 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1ps3 h THR 211 Cb 0.11 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1ps3 h THR 211 CO 0.00 0.27 -0.29 0.24 0.37 0.00 0.00 175.52 176.11 1ps3 h MET 212 N 0.00 -0.78 -0.22 6.66 2.86 -1.84 -1.78 114.93 119.83 1ps3 h MET 212 Ca -0.00 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1ps3 h MET 212 Cb 0.49 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1ps3 h MET 212 CO 0.04 -0.46 0.13 -1.00 1.06 0.00 0.00 176.91 176.67 1ps3 h PRO 213 N -1.01 0.30 0.15 -0.22 0.13 -1.74 0.10 132.00 129.71 1ps3 h PRO 213 Ca -0.08 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1ps3 h PRO 213 Cb 0.67 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 1ps3 h PRO 213 CO 0.14 0.22 -0.32 -0.92 -0.23 0.00 0.00 178.00 176.88 1ps3 h TYR 214 N 0.31 -0.88 -0.25 1.56 3.20 -1.27 0.15 116.97 119.78 1ps3 h TYR 214 Ca 0.08 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1ps3 h TYR 214 Cb -0.00 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1ps3 h TYR 214 CO 0.00 -0.43 -0.11 0.82 -1.64 0.00 0.00 178.16 176.80 1ps3 h ILE 215 N -0.57 1.30 -0.22 1.81 2.04 -0.91 -2.97 117.51 118.00 1ps3 h ILE 215 Ca 0.02 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1ps3 h ILE 215 Cb 0.58 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1ps3 h ILE 215 CO -0.17 0.37 0.14 -0.07 0.00 0.00 0.00 178.15 178.41 1ps3 h LEU 216 N 0.25 0.26 -1.96 1.44 3.38 -0.68 -1.86 115.31 116.13 1ps3 h LEU 216 Ca 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ps3 h LEU 216 Cb 0.61 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ps3 h LEU 216 CO 0.03 0.21 0.00 -0.61 0.09 0.00 0.00 178.44 178.17 1ps3 h GLN 217 N 0.28 0.03 -0.19 1.13 -0.00 -0.75 0.22 115.11 115.83 1ps3 h GLN 217 Ca 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1ps3 h GLN 217 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.47 1ps3 h GLN 217 CO -0.02 0.03 0.00 1.63 0.00 0.00 0.00 178.83 180.47 1ps3 n LYS 218 N -4.53 1.73 -0.59 1.69 5.02 -0.87 -3.73 118.16 116.89 1ps3 n LYS 218 Ca -0.03 -1.10 0.06 0.00 -2.02 0.00 0.00 58.31 55.23 1ps3 n LYS 218 Cb 0.10 -1.38 0.17 0.00 -0.02 0.00 0.00 35.03 33.89 1ps3 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ps3 n SER 219 N 0.33 1.70 0.00 4.39 7.64 0.70 -2.02 113.62 126.36 1ps3 n SER 219 Ca 0.16 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.59 1ps3 n SER 219 Cb 0.32 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1ps3 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ps3 n GLY 220 N -0.96 1.35 3.78 0.23 0.00 -1.13 -4.92 105.19 103.54 1ps3 n GLY 220 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1ps3 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ps3 s PHE 221 N -3.28 2.73 0.00 1.61 0.40 -0.70 -4.82 117.98 113.93 1ps3 s PHE 221 Ca 0.00 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 1ps3 s PHE 221 Cb 0.00 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.33 1ps3 s PHE 221 CO 0.00 -1.45 0.00 1.63 0.70 0.00 0.00 175.22 176.10 1ps3 n LYS 222 N -1.58 2.72 -3.74 0.44 5.02 0.13 -4.57 118.16 116.59 1ps3 n LYS 222 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 1ps3 n LYS 222 Cb 0.52 -0.74 -0.08 0.00 -0.02 0.00 0.00 35.03 34.71 1ps3 n LYS 222 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1ps3 s ASN 223 N -1.38 -0.18 0.04 4.39 -0.87 -0.99 -3.89 114.94 112.06 1ps3 s ASN 223 Ca 0.00 -0.05 -0.13 0.00 -1.57 0.00 0.00 52.86 51.11 1ps3 s ASN 223 Cb 0.00 0.36 0.02 0.00 -0.02 0.00 0.00 41.25 41.60 1ps3 s ASN 223 CO 0.00 -0.57 0.28 0.00 -2.57 0.00 0.00 177.10 174.24 1ps3 s MET 224 N -2.12 0.78 -0.02 -0.60 0.23 -0.61 -1.18 119.30 115.77 1ps3 s MET 224 Ca -0.08 -0.51 0.03 0.00 -1.03 0.00 0.00 55.69 54.10 1ps3 s MET 224 Cb -0.02 0.33 -0.00 0.00 -1.53 0.00 0.00 34.83 33.61 1ps3 s MET 224 CO -0.00 -0.24 -0.11 -1.17 -2.03 0.00 0.00 175.02 171.46 1ps3 s LEU 225 N -2.02 1.92 0.15 0.18 0.20 0.07 -0.86 118.68 118.32 1ps3 s LEU 225 Ca -0.06 -0.22 0.04 0.00 0.69 0.00 0.00 54.13 54.59 1ps3 s LEU 225 Cb -0.01 -0.63 -0.04 0.00 -0.43 0.00 0.00 46.19 45.08 1ps3 s LEU 225 CO -0.03 0.12 -0.10 0.27 -0.29 0.00 0.00 176.35 176.32 1ps3 s ILE 226 N -0.07 1.16 0.00 6.68 -4.36 -0.46 -1.25 121.20 122.90 1ps3 s ILE 226 Ca 0.01 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1ps3 s ILE 226 Cb -0.07 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1ps3 s ILE 226 CO 0.00 -0.73 0.00 1.67 0.24 0.00 0.00 174.94 176.12 1ps3 n GLN 227 N -0.20 0.00 -2.49 0.37 -0.06 -1.13 -1.63 117.38 112.24 1ps3 n GLN 227 Ca -0.10 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.51 1ps3 n GLN 227 Cb 0.61 -0.18 -0.03 0.00 -4.06 0.00 0.00 30.24 26.58 1ps3 n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1ps3 s ARG 228 N -2.00 3.48 0.09 3.69 0.52 -1.26 -4.75 118.95 118.72 1ps3 s ARG 228 Ca 0.00 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1ps3 s ARG 228 Cb 0.00 -5.34 -0.03 0.00 0.52 0.00 0.00 34.95 30.10 1ps3 s ARG 228 CO 0.00 -2.38 -0.14 0.95 0.02 0.00 0.00 175.30 173.75 1ps3 s THR 229 N 5.61 1.19 0.06 0.02 -4.23 -1.26 -2.85 115.64 114.18 1ps3 s THR 229 Ca 0.50 -1.47 -0.38 0.00 -1.18 0.00 0.00 61.69 59.16 1ps3 s THR 229 Cb -0.01 -1.25 -0.18 0.00 1.34 0.00 0.00 72.50 72.40 1ps3 s THR 229 CO -0.07 -0.30 1.24 1.57 -0.54 0.00 0.00 174.62 176.52 1ps3 n HIS 230 N 0.99 1.20 -0.14 3.99 -0.00 -1.26 -4.74 115.22 115.26 1ps3 n HIS 230 Ca -0.19 0.79 0.20 0.00 0.46 0.00 0.00 57.72 58.98 1ps3 n HIS 230 Cb 0.55 -2.25 0.61 0.00 -0.12 0.00 0.00 29.99 28.78 1ps3 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 1ps3 h TYR 231 N 4.01 0.25 -0.25 1.57 -0.00 -1.81 0.96 116.97 121.70 1ps3 h TYR 231 Ca -0.49 0.01 -0.11 0.00 0.00 0.00 0.00 58.73 58.14 1ps3 h TYR 231 Cb 1.37 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 1ps3 h TYR 231 CO 0.59 0.08 -0.31 0.77 -0.00 0.00 0.00 178.16 179.29 1ps3 h SER 232 N 0.21 0.54 -0.34 0.10 0.02 -1.88 -2.16 113.55 110.03 1ps3 h SER 232 Ca 0.37 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1ps3 h SER 232 Cb 1.15 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1ps3 h SER 232 CO -0.07 0.82 -0.32 0.58 -1.14 0.00 0.00 176.83 176.70 1ps3 h VAL 233 N 0.45 1.29 -0.57 2.27 2.07 -1.18 -1.45 116.25 119.13 1ps3 h VAL 233 Ca 0.05 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.11 1ps3 h VAL 233 Cb 0.77 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1ps3 h VAL 233 CO 0.06 0.49 0.35 0.11 0.02 0.00 0.00 177.57 178.60 1ps3 h LYS 234 N 0.60 0.68 -0.19 1.57 1.57 -1.18 -0.43 116.57 119.19 1ps3 h LYS 234 Ca 0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1ps3 h LYS 234 Cb 0.90 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1ps3 h LYS 234 CO 0.08 0.45 0.06 -0.22 -0.57 0.00 0.00 179.45 179.25 1ps3 h LYS 235 N 0.70 0.30 -0.13 3.15 3.64 -1.29 -0.45 116.57 122.48 1ps3 h LYS 235 Ca 0.22 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1ps3 h LYS 235 Cb -0.00 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1ps3 h LYS 235 CO -0.09 0.41 0.05 1.49 -2.27 0.00 0.00 179.45 179.04 1ps3 h GLU 236 N 0.13 0.11 -0.10 1.90 4.57 -0.98 -1.42 114.58 118.79 1ps3 h GLU 236 Ca 0.06 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.09 1ps3 h GLU 236 Cb 0.24 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1ps3 h GLU 236 CO -0.00 0.07 -0.58 -0.07 -1.18 0.00 0.00 179.01 177.25 1ps3 h LEU 237 N 0.11 0.35 -0.55 1.64 3.38 -1.08 -3.09 115.31 116.07 1ps3 h LEU 237 Ca 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1ps3 h LEU 237 Cb 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ps3 h LEU 237 CO -0.06 0.86 0.21 0.00 0.09 0.00 0.00 178.44 179.54 1ps3 h ALA 238 N 1.15 0.71 -0.01 1.53 0.00 -0.83 0.20 119.26 122.01 1ps3 h ALA 238 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ps3 h ALA 238 Cb 1.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ps3 h ALA 238 CO 0.09 0.33 0.01 1.96 0.00 0.00 0.00 179.25 181.64 1ps3 h GLN 239 N 0.75 0.00 -0.38 0.00 4.20 -1.18 -1.37 115.11 117.12 1ps3 h GLN 239 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ps3 h GLN 239 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1ps3 h GLN 239 CO -0.01 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.19 1ps3 n GLN 240 N -4.04 2.44 -3.78 1.46 1.13 -0.94 -4.98 117.38 108.68 1ps3 n GLN 240 Ca -0.03 -2.07 -0.26 0.00 -1.94 0.00 0.00 57.00 52.70 1ps3 n GLN 240 Cb 0.10 -1.36 0.02 0.00 0.11 0.00 0.00 30.24 29.11 1ps3 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ps3 n ARG 241 N 0.90 -3.13 -0.90 -1.09 1.74 -0.26 -4.91 116.66 109.01 1ps3 n ARG 241 Ca 0.14 0.50 0.01 0.00 -0.77 0.00 0.00 57.85 57.73 1ps3 n ARG 241 Cb 0.47 -4.64 0.17 0.00 -1.02 0.00 0.00 32.46 27.44 1ps3 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ps3 n GLN 242 N -4.26 1.89 0.19 5.56 6.02 0.55 -4.68 117.38 122.65 1ps3 n GLN 242 Ca -0.24 -3.41 0.13 0.00 -0.01 0.00 0.00 57.00 53.46 1ps3 n GLN 242 Cb 0.65 -1.67 0.26 0.00 1.02 0.00 0.00 30.24 30.50 1ps3 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1ps3 h LEU 243 N 1.22 0.00 -8.38 1.08 3.38 -1.82 -3.41 115.31 107.38 1ps3 h LEU 243 Ca 0.05 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.36 1ps3 h LEU 243 Cb 1.13 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.57 1ps3 h LEU 243 CO 0.14 0.00 -0.83 -1.61 0.09 0.00 0.00 178.44 176.23 1ps3 s GLU 244 N -3.21 3.16 0.20 1.13 2.02 -1.26 -0.23 118.70 120.52 1ps3 s GLU 244 Ca 0.08 -0.79 -0.14 0.00 0.02 0.00 0.00 54.97 54.13 1ps3 s GLU 244 Cb 0.07 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.81 1ps3 s GLU 244 CO 0.64 0.09 0.46 -0.59 0.02 0.00 0.00 175.26 175.88 1ps3 s PHE 245 N 0.59 0.11 -0.55 1.61 -0.12 -0.16 -4.34 117.98 115.12 1ps3 s PHE 245 Ca -0.11 -0.47 -0.18 0.00 -0.05 0.00 0.00 56.93 56.13 1ps3 s PHE 245 Cb -0.16 0.24 0.09 0.00 -0.63 0.00 0.00 43.02 42.57 1ps3 s PHE 245 CO 0.03 -0.89 0.62 -0.51 -0.05 0.00 0.00 175.22 174.43 1ps3 s LEU 246 N -2.93 5.45 -0.50 -1.99 1.43 -0.20 0.23 118.68 120.17 1ps3 s LEU 246 Ca 0.14 -1.37 -0.28 0.00 -1.03 0.00 0.00 54.13 51.60 1ps3 s LEU 246 Cb 0.00 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.94 1ps3 s LEU 246 CO 0.00 -0.98 1.09 0.86 0.23 0.00 0.00 176.35 177.56 1ps3 s TRP 247 N 2.39 2.79 0.34 0.29 -0.11 -0.61 -1.65 118.94 122.38 1ps3 s TRP 247 Ca 0.10 0.51 0.08 0.00 1.22 0.00 0.00 56.10 58.02 1ps3 s TRP 247 Cb -0.24 -4.33 -0.04 0.00 -1.50 0.00 0.00 33.47 27.36 1ps3 s TRP 247 CO 0.07 -1.32 0.15 -0.98 -4.62 0.00 0.00 176.95 170.26 1ps3 s ARG 248 N 4.38 2.40 0.55 5.86 1.70 -0.34 -1.87 118.95 131.64 1ps3 s ARG 248 Ca 0.43 -1.53 -0.18 0.00 -0.47 0.00 0.00 55.73 53.98 1ps3 s ARG 248 Cb -0.08 -2.20 -0.06 0.00 -0.57 0.00 0.00 34.95 32.04 1ps3 s ARG 248 CO 0.28 0.11 1.08 -0.65 -1.08 0.00 0.00 175.30 175.04 1ps3 s GLN 249 N -3.86 3.43 0.66 3.89 -1.52 -1.26 -4.34 119.66 116.66 1ps3 s GLN 249 Ca 0.38 1.42 0.41 0.00 -1.95 0.00 0.00 55.36 55.62 1ps3 s GLN 249 Cb -0.03 -2.03 2.27 0.00 -0.22 0.00 0.00 33.01 33.00 1ps3 s GLN 249 CO 0.23 -0.75 2.30 -0.84 -0.25 0.00 0.00 175.29 175.98 1ps3 h ILE 250 N 1.03 0.04 -0.00 1.08 3.07 -1.94 -2.18 117.51 118.61 1ps3 h ILE 250 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1ps3 h ILE 250 Cb 1.24 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 1ps3 h ILE 250 CO 0.57 0.00 -0.84 -2.67 -1.05 0.00 0.00 178.15 174.17 1ps3 n TRP 251 N -3.12 0.00 -2.28 0.16 2.14 -1.26 -4.63 117.44 108.45 1ps3 n TRP 251 Ca -0.03 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.14 1ps3 n TRP 251 Cb 0.12 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.59 1ps3 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1ps3 s ASP 252 N -2.74 5.75 0.09 -0.67 2.15 -0.82 -4.73 116.67 115.70 1ps3 s ASP 252 Ca 0.09 0.06 0.02 0.00 0.43 0.00 0.00 52.55 53.15 1ps3 s ASP 252 Cb 0.15 -2.54 -0.24 0.00 -0.30 0.00 0.00 42.92 39.98 1ps3 s ASP 252 CO 0.75 -2.06 1.19 -1.13 -0.17 0.00 0.00 175.17 173.75 1ps3 h ASN 253 N 12.48 0.19 0.03 -0.34 -0.73 -1.88 -3.35 115.58 121.98 1ps3 h ASN 253 Ca -0.27 -0.21 -0.11 0.00 1.87 0.00 0.00 56.30 57.59 1ps3 h ASN 253 Cb 1.11 -0.06 0.01 0.00 0.27 0.00 0.00 38.32 39.65 1ps3 h ASN 253 CO 1.23 1.16 -0.43 0.50 -0.37 0.00 0.00 177.43 179.52 1ps3 h LYS 254 N 0.03 0.24 0.00 6.67 3.64 -1.98 -3.44 116.57 121.74 1ps3 h LYS 254 Ca -0.08 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1ps3 h LYS 254 Cb 1.87 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 1ps3 h LYS 254 CO 0.16 1.04 0.00 0.41 -2.27 0.00 0.00 179.45 178.79 1ps3 n GLY 255 N 1.23 1.19 0.26 5.01 0.00 -1.26 -5.00 105.19 106.62 1ps3 n GLY 255 Ca -0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.09 1ps3 n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ps3 h ASP 256 N 0.00 0.00 0.45 1.61 3.32 -1.94 -1.79 116.42 118.08 1ps3 h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ps3 h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ps3 h ASP 256 CO 0.00 0.00 -0.34 0.35 -1.72 0.00 0.00 179.24 177.53 1ps3 n THR 257 N -2.76 0.00 -1.65 0.35 -2.24 -1.26 -4.96 114.28 101.75 1ps3 n THR 257 Ca -0.01 -0.04 -0.45 0.00 -2.27 0.00 0.00 64.05 61.27 1ps3 n THR 257 Cb 0.12 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1ps3 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ps3 n ALA 258 N -1.20 0.69 -3.68 6.98 0.00 -0.67 -4.73 120.51 117.90 1ps3 n ALA 258 Ca 0.08 0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.74 1ps3 n ALA 258 Cb 0.33 -2.21 -0.17 0.00 0.00 0.00 0.00 19.45 17.40 1ps3 n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1ps3 s LEU 259 N 0.14 1.10 0.16 0.00 2.96 -0.78 -4.90 118.68 117.35 1ps3 s LEU 259 Ca 0.68 -0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 54.17 1ps3 s LEU 259 Cb -0.68 -0.42 -0.11 0.00 0.50 0.00 0.00 46.19 45.48 1ps3 s LEU 259 CO 0.52 -0.10 1.78 0.12 -1.32 0.00 0.00 176.35 177.35 1ps3 s PHE 260 N 1.23 2.48 -0.02 5.38 5.36 -1.25 -1.57 117.98 129.59 1ps3 s PHE 260 Ca -0.06 0.14 0.05 0.00 -0.96 0.00 0.00 56.93 56.09 1ps3 s PHE 260 Cb -0.14 -4.16 -0.01 0.00 -0.34 0.00 0.00 43.02 38.37 1ps3 s PHE 260 CO -0.02 -4.63 -0.16 0.99 -1.46 0.00 0.00 175.22 169.95 1ps3 s THR 261 N 2.04 1.29 -0.23 0.12 2.01 0.14 -1.58 115.64 119.43 1ps3 s THR 261 Ca 0.78 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 1ps3 s THR 261 Cb -0.48 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 70.96 1ps3 s THR 261 CO 0.34 0.37 -0.08 -2.28 -0.69 0.00 0.00 174.62 172.28 1ps3 s HIS 262 N -0.23 2.98 -0.24 4.92 2.46 -0.04 -0.98 115.29 124.15 1ps3 s HIS 262 Ca 0.03 -1.38 -0.10 0.00 0.47 0.00 0.00 55.06 54.08 1ps3 s HIS 262 Cb -0.08 -2.05 -0.05 0.00 -0.13 0.00 0.00 32.58 30.28 1ps3 s HIS 262 CO 0.00 -0.69 0.14 1.41 -2.47 0.00 0.00 174.74 173.13 1ps3 s MET 263 N 1.37 3.99 0.50 2.88 0.00 0.69 -1.35 119.30 127.37 1ps3 s MET 263 Ca 0.03 -0.31 -0.22 0.00 0.00 0.00 0.00 55.69 55.18 1ps3 s MET 263 Cb -0.15 -3.48 -0.06 0.00 0.00 0.00 0.00 34.83 31.13 1ps3 s MET 263 CO -0.06 0.03 1.25 -1.64 0.00 0.00 0.00 175.02 174.60 1ps3 s MET 264 N 1.11 3.49 0.15 4.11 -1.94 -0.64 -4.79 119.30 120.79 1ps3 s MET 264 Ca 0.07 1.96 0.24 0.00 -1.71 0.00 0.00 55.69 56.25 1ps3 s MET 264 Cb -0.14 -2.34 0.40 0.00 2.01 0.00 0.00 34.83 34.76 1ps3 s MET 264 CO 0.05 -0.82 1.38 -1.00 -0.01 0.00 0.00 175.02 174.62 1ps3 h PRO 265 N 1.79 0.00 -6.09 2.03 0.13 -1.93 -3.46 132.00 124.47 1ps3 h PRO 265 Ca -0.50 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 1ps3 h PRO 265 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1ps3 h PRO 265 CO 0.59 0.00 -0.26 -0.06 -0.23 0.00 0.00 178.00 178.04 1ps3 s PHE 266 N -3.17 1.58 0.51 1.56 2.99 -1.26 -4.83 117.98 115.35 1ps3 s PHE 266 Ca 0.07 -0.82 0.16 0.00 0.00 0.00 0.00 56.93 56.34 1ps3 s PHE 266 Cb 0.13 -1.98 1.23 0.00 0.00 0.00 0.00 43.02 42.40 1ps3 s PHE 266 CO 0.70 -0.63 2.12 -0.92 -0.00 0.00 0.00 175.22 176.49 1ps3 h TYR 267 N 0.62 0.07 -4.02 0.36 3.20 -1.95 -3.46 116.97 111.79 1ps3 h TYR 267 Ca -0.35 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.39 1ps3 h TYR 267 Cb 1.30 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.43 1ps3 h TYR 267 CO 0.86 0.04 -0.32 0.45 -1.64 0.00 0.00 178.16 177.56 1ps3 s SER 268 N -6.90 0.01 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.56 1ps3 s SER 268 Ca -0.05 -1.11 0.24 0.00 0.70 0.00 0.00 55.95 55.72 1ps3 s SER 268 Cb 0.17 0.51 0.34 0.00 -1.71 0.00 0.00 66.02 65.33 1ps3 s SER 268 CO 0.69 -1.02 1.35 0.00 1.20 0.00 0.00 173.24 175.45 1ps3 n TYR 269 N -0.34 0.14 -1.37 3.44 0.18 -1.26 -4.49 117.16 113.47 1ps3 n TYR 269 Ca -0.00 -0.07 -0.29 0.00 1.88 0.00 0.00 57.90 59.42 1ps3 n TYR 269 Cb 0.63 0.00 0.16 0.00 -0.38 0.00 0.00 39.34 39.76 1ps3 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1ps3 s ASP 270 N -1.85 2.87 0.29 9.48 1.47 -1.26 -4.62 116.67 123.06 1ps3 s ASP 270 Ca 0.32 0.97 -0.02 0.00 1.18 0.00 0.00 52.55 55.00 1ps3 s ASP 270 Cb 0.21 -1.53 0.41 0.00 -0.34 0.00 0.00 42.92 41.67 1ps3 s ASP 270 CO 0.31 -2.95 1.91 0.40 0.68 0.00 0.00 175.17 175.52 1ps3 h ILE 271 N -1.77 1.22 0.00 2.11 2.04 -1.87 -2.35 117.51 116.89 1ps3 h ILE 271 Ca -0.51 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1ps3 h ILE 271 Cb 1.33 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1ps3 h ILE 271 CO 0.57 0.24 -0.00 -0.65 0.00 0.00 0.00 178.15 178.31 1ps3 h PRO 272 N 1.03 0.00 -0.12 2.37 0.11 -1.88 -2.81 132.00 130.70 1ps3 h PRO 272 Ca 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 1ps3 h PRO 272 Cb 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1ps3 h PRO 272 CO -0.04 0.00 -0.07 0.72 -0.21 0.00 0.00 178.00 178.41 1ps3 n HIS 273 N -3.13 0.43 0.00 0.65 8.25 -0.90 -3.73 115.22 116.79 1ps3 n HIS 273 Ca -0.02 -1.09 0.00 0.00 -0.26 0.00 0.00 57.72 56.35 1ps3 n HIS 273 Cb 0.13 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1ps3 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ps3 n THR 274 N -1.08 0.00 0.03 1.59 -2.24 -1.06 -4.54 114.28 106.98 1ps3 n THR 274 Ca 0.20 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1ps3 n THR 274 Cb 0.77 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.82 1ps3 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ps3 n GLY 276 N 1.42 -1.27 0.25 0.00 0.00 -1.26 -3.53 105.19 100.80 1ps3 n GLY 276 Ca -0.09 -0.93 0.17 0.00 0.00 0.00 0.00 46.02 45.16 1ps3 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ps3 h PRO 277 N 0.00 0.00 -4.36 1.61 0.13 -1.93 -3.42 132.00 124.03 1ps3 h PRO 277 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 1ps3 h PRO 277 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1ps3 h PRO 277 CO 0.00 0.00 -0.43 0.34 -0.23 0.00 0.00 178.00 177.68 1ps3 s ASP 278 N -5.24 5.63 0.54 1.44 -1.08 -1.26 -3.21 116.67 113.49 1ps3 s ASP 278 Ca 0.01 -1.81 0.21 0.00 -0.52 0.00 0.00 52.55 50.43 1ps3 s ASP 278 Cb 0.09 -1.98 1.45 0.00 -1.46 0.00 0.00 42.92 41.02 1ps3 s ASP 278 CO 0.48 -0.63 2.17 1.55 0.52 0.00 0.00 175.17 179.25 1ps3 h PRO 279 N 8.39 0.00 -0.13 4.34 0.13 -1.80 -1.17 132.00 141.76 1ps3 h PRO 279 Ca -0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.87 1ps3 h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1ps3 h PRO 279 CO 0.81 0.02 -0.16 -0.22 -0.23 0.00 0.00 178.00 178.23 1ps3 h LYS 280 N 0.00 0.21 0.07 0.86 3.64 -1.93 -0.06 116.57 119.38 1ps3 h LYS 280 Ca -0.00 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.12 1ps3 h LYS 280 Cb 0.04 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ps3 h LYS 280 CO 0.00 0.38 -1.08 0.28 -2.27 0.00 0.00 179.45 176.76 1ps3 h VAL 281 N 0.20 1.18 -0.42 2.00 2.07 -1.68 -3.37 116.25 116.24 1ps3 h VAL 281 Ca 0.04 -2.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 1ps3 h VAL 281 Cb 0.40 2.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1ps3 h VAL 281 CO 0.03 0.60 0.21 0.00 0.02 0.00 0.00 177.57 178.43 1ps3 n GLN 284 N -4.25 0.15 -0.40 0.00 6.02 -0.64 -2.41 117.38 115.85 1ps3 n GLN 284 Ca -0.02 0.16 0.08 0.00 -0.01 0.00 0.00 57.00 57.21 1ps3 n GLN 284 Cb 0.12 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.12 1ps3 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ps3 n PHE 285 N -1.37 0.78 -3.62 1.08 3.72 0.20 -4.01 117.46 114.24 1ps3 n PHE 285 Ca 0.06 -0.96 -0.39 0.00 -0.05 0.00 0.00 57.45 56.12 1ps3 n PHE 285 Cb 0.15 -0.30 -0.08 0.00 -0.94 0.00 0.00 39.48 38.32 1ps3 n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ps3 s ASP 286 N -2.16 5.62 0.00 4.37 -1.08 -1.01 -4.95 116.67 117.45 1ps3 s ASP 286 Ca 0.41 -2.80 0.12 0.00 -0.52 0.00 0.00 52.55 49.76 1ps3 s ASP 286 Cb 0.34 -1.94 0.74 0.00 -1.46 0.00 0.00 42.92 40.59 1ps3 s ASP 286 CO 0.07 -0.42 1.16 0.49 0.52 0.00 0.00 175.17 176.99 1ps3 n PHE 287 N 3.62 0.00 1.36 -5.34 3.01 -1.26 -1.91 117.46 116.94 1ps3 n PHE 287 Ca 0.09 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.69 1ps3 n PHE 287 Cb 0.40 0.00 0.49 0.00 -0.01 0.00 0.00 39.48 40.36 1ps3 n PHE 287 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ps3 n LYS 288 N -0.96 0.92 -1.38 -1.08 4.81 -1.26 -4.25 118.16 114.96 1ps3 n LYS 288 Ca 0.09 -0.47 -0.34 0.00 -0.87 0.00 0.00 58.31 56.72 1ps3 n LYS 288 Cb 0.04 -1.49 0.07 0.00 0.02 0.00 0.00 35.03 33.67 1ps3 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ps3 n ARG 289 N -0.63 2.62 -0.04 1.64 1.74 -0.80 -4.54 116.66 116.64 1ps3 n ARG 289 Ca 0.14 -3.16 0.10 0.00 -0.77 0.00 0.00 57.85 54.16 1ps3 n ARG 289 Cb 0.32 -2.23 0.11 0.00 -1.02 0.00 0.00 32.46 29.64 1ps3 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ps3 n MET 290 N -0.73 1.85 0.00 5.56 2.81 -1.25 -4.35 117.12 121.01 1ps3 n MET 290 Ca 0.59 -1.77 0.00 0.00 -1.81 0.00 0.00 57.70 54.71 1ps3 n MET 290 Cb 0.59 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 1ps3 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ps3 n GLY 291 N 1.13 2.97 0.28 3.03 0.00 -1.22 -4.94 105.19 106.43 1ps3 n GLY 291 Ca 0.13 -0.63 0.19 0.00 0.00 0.00 0.00 46.02 45.70 1ps3 n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ps3 h SER 292 N 0.00 0.00 0.02 1.61 4.64 -1.91 -0.95 113.55 116.96 1ps3 h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ps3 h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ps3 h SER 292 CO 0.00 0.00 -0.10 0.49 -0.87 0.00 0.00 176.83 176.35 1ps3 n PHE 293 N -2.86 0.00 -1.53 4.77 3.01 -1.26 -4.94 117.46 114.64 1ps3 n PHE 293 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.38 1ps3 n PHE 293 Cb 0.11 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 1ps3 n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ps3 n GLY 294 N 1.29 0.57 3.29 1.37 0.00 -0.36 -5.03 105.19 106.32 1ps3 n GLY 294 Ca 0.15 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1ps3 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ps3 s LEU 295 N -1.49 2.34 0.00 0.99 1.43 -1.26 -5.04 118.68 115.65 1ps3 s LEU 295 Ca 0.00 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1ps3 s LEU 295 Cb 0.00 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 1ps3 s LEU 295 CO 0.00 0.02 0.34 -1.54 0.23 0.00 0.00 176.35 175.40 1ps3 n SER 296 N 0.88 -0.93 -4.41 2.29 3.41 -1.26 -3.45 113.62 110.16 1ps3 n SER 296 Ca -0.18 -2.70 -0.36 0.00 -0.26 0.00 0.00 58.87 55.37 1ps3 n SER 296 Cb 0.55 1.85 -0.13 0.00 -0.26 0.00 0.00 64.21 66.22 1ps3 n SER 296 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ps3 h PRO 298 N 8.22 0.00 0.00 0.00 0.13 -1.98 -1.67 132.00 136.70 1ps3 h PRO 298 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ps3 h PRO 298 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ps3 h PRO 298 CO 0.59 0.02 0.00 0.91 -0.23 0.00 0.00 178.00 179.28 1ps3 n TRP 299 N -3.17 0.00 -0.65 1.56 8.01 -1.26 -4.91 117.44 117.02 1ps3 n TRP 299 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1ps3 n TRP 299 Cb 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.49 1ps3 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ps3 n LYS 300 N -0.82 0.00 -3.81 -0.99 5.02 -0.63 -5.00 118.16 111.93 1ps3 n LYS 300 Ca 0.15 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 1ps3 n LYS 300 Cb 0.07 -2.79 -0.13 0.00 -0.02 0.00 0.00 35.03 32.16 1ps3 n LYS 300 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ps3 s VAL 301 N -3.05 3.81 0.69 -0.18 -7.23 -1.26 -5.03 120.40 108.15 1ps3 s VAL 301 Ca 0.00 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.51 1ps3 s VAL 301 Cb 0.00 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1ps3 s VAL 301 CO 0.00 0.23 1.06 -2.16 -0.31 0.00 0.00 175.10 173.93 1ps3 s PRO 302 N 1.51 2.98 0.69 4.82 0.04 -1.26 -4.53 135.00 139.24 1ps3 s PRO 302 Ca 0.04 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 1ps3 s PRO 302 Cb -0.16 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.38 1ps3 s PRO 302 CO 0.01 -1.01 1.06 -1.25 0.04 0.00 0.00 177.00 175.85 1ps3 s PRO 303 N -5.16 2.92 -0.05 0.56 0.04 -1.26 -4.76 135.00 127.28 1ps3 s PRO 303 Ca 0.58 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1ps3 s PRO 303 Cb -0.13 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1ps3 s PRO 303 CO 0.54 -1.12 -0.11 1.03 0.04 0.00 0.00 177.00 177.38 1ps3 s ARG 304 N -4.82 1.43 0.11 4.56 0.52 -1.26 -4.89 118.95 114.60 1ps3 s ARG 304 Ca 0.60 -0.37 -0.35 0.00 -0.52 0.00 0.00 55.73 55.09 1ps3 s ARG 304 Cb -0.15 -1.23 -0.14 0.00 0.52 0.00 0.00 34.95 33.95 1ps3 s ARG 304 CO 0.51 0.05 1.55 2.41 0.02 0.00 0.00 175.30 179.84 1ps3 n THR 305 N 3.66 0.06 -2.38 0.02 -1.04 -1.26 -4.89 114.28 108.45 1ps3 n THR 305 Ca -0.22 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 1ps3 n THR 305 Cb 0.52 -1.37 -0.04 0.00 -1.82 0.00 0.00 70.33 67.63 1ps3 n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ps3 s ILE 306 N 1.13 3.46 0.23 12.58 -1.09 -1.26 -4.99 121.20 131.26 1ps3 s ILE 306 Ca 0.82 1.31 -0.00 0.00 -2.23 0.00 0.00 60.65 60.55 1ps3 s ILE 306 Cb -0.76 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 1ps3 s ILE 306 CO 0.42 0.25 0.19 -0.94 -1.23 0.00 0.00 174.94 173.63 1ps3 s SER 307 N -0.21 0.42 0.54 3.58 1.04 -1.26 -4.99 113.70 112.81 1ps3 s SER 307 Ca 0.50 -1.43 0.30 0.00 0.48 0.00 0.00 55.95 55.80 1ps3 s SER 307 Cb -0.33 0.43 1.52 0.00 0.10 0.00 0.00 66.02 67.74 1ps3 s SER 307 CO 0.39 -0.91 2.08 0.44 0.98 0.00 0.00 173.24 176.23 1ps3 h ASP 308 N 2.50 0.00 1.37 7.02 5.19 -2.00 0.54 116.42 131.03 1ps3 h ASP 308 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1ps3 h ASP 308 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1ps3 h ASP 308 CO 0.49 0.10 -0.33 -0.61 -3.12 0.00 0.00 179.24 175.77 1ps3 h GLN 309 N 0.00 0.00 0.00 3.56 4.15 -1.99 -3.38 115.11 117.45 1ps3 h GLN 309 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ps3 h GLN 309 Cb 0.34 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1ps3 h GLN 309 CO 0.01 0.00 0.00 0.27 -1.93 0.00 0.00 178.83 177.18 1ps3 n ASN 310 N -2.50 0.16 -0.14 -0.69 0.23 -0.99 -4.80 115.26 106.53 1ps3 n ASN 310 Ca 0.04 -0.49 0.12 0.00 -0.53 0.00 0.00 54.58 53.72 1ps3 n ASN 310 Cb 0.48 0.47 0.47 0.00 -2.08 0.00 0.00 39.78 39.12 1ps3 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1ps3 h VAL 311 N 0.09 0.87 -0.18 3.53 3.04 -1.08 0.57 116.25 123.10 1ps3 h VAL 311 Ca 0.00 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.49 1ps3 h VAL 311 Cb 0.05 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 1ps3 h VAL 311 CO 0.00 0.09 -0.01 0.00 -1.01 0.00 0.00 177.57 176.63 1ps3 h ALA 312 N 1.66 0.24 -0.18 3.17 0.00 -1.85 0.29 119.26 122.59 1ps3 h ALA 312 Ca 0.32 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1ps3 h ALA 312 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ps3 h ALA 312 CO -0.10 -0.03 -0.43 0.00 0.00 0.00 0.00 179.25 178.69 1ps3 h ALA 313 N 0.76 0.93 -0.11 0.00 0.00 -1.74 -1.30 119.26 117.80 1ps3 h ALA 313 Ca 0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1ps3 h ALA 313 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ps3 h ALA 313 CO 0.01 0.64 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 1ps3 h ARG 314 N 0.35 0.21 -0.94 0.00 2.47 -0.84 -2.64 114.38 113.00 1ps3 h ARG 314 Ca 0.03 -0.08 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1ps3 h ARG 314 Cb 0.90 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.16 1ps3 h ARG 314 CO 0.08 0.51 0.62 0.77 0.56 0.00 0.00 179.97 182.51 1ps3 h SER 315 N -0.11 1.07 -0.70 7.04 0.02 -0.84 -0.80 113.55 119.22 1ps3 h SER 315 Ca 0.03 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1ps3 h SER 315 Cb 0.44 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1ps3 h SER 315 CO 0.01 0.77 0.32 -0.78 -1.14 0.00 0.00 176.83 176.01 1ps3 h ASP 316 N 1.26 0.95 -0.14 3.07 3.58 -1.16 0.28 116.42 124.26 1ps3 h ASP 316 Ca 0.35 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.61 1ps3 h ASP 316 Cb -0.13 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.68 1ps3 h ASP 316 CO -0.08 0.82 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.86 1ps3 h LEU 317 N 1.03 0.40 -0.05 2.28 3.38 -0.99 -2.88 115.31 118.47 1ps3 h LEU 317 Ca 0.25 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1ps3 h LEU 317 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ps3 h LEU 317 CO -0.03 0.82 -0.00 0.25 0.09 0.00 0.00 178.44 179.57 1ps3 h LEU 318 N -0.01 0.08 -1.33 1.67 5.85 -0.89 -2.67 115.31 118.00 1ps3 h LEU 318 Ca 0.02 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1ps3 h LEU 318 Cb 0.72 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1ps3 h LEU 318 CO 0.04 0.39 0.49 0.58 -0.34 0.00 0.00 178.44 179.60 1ps3 h VAL 319 N -0.22 1.07 -0.55 1.05 2.07 -0.55 -0.80 116.25 118.32 1ps3 h VAL 319 Ca 0.01 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1ps3 h VAL 319 Cb 0.35 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1ps3 h VAL 319 CO 0.00 0.15 0.06 -0.78 0.02 0.00 0.00 177.57 177.03 1ps3 h ASP 320 N 0.84 0.84 -0.07 0.57 1.82 -1.40 0.53 116.42 119.54 1ps3 h ASP 320 Ca 0.31 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1ps3 h ASP 320 Cb 0.16 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 1ps3 h ASP 320 CO -0.10 0.87 0.01 1.56 -1.61 0.00 0.00 179.24 179.97 1ps3 h GLN 321 N 0.83 0.13 -0.38 0.28 1.08 -0.86 -2.19 115.11 114.00 1ps3 h GLN 321 Ca 0.17 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 1ps3 h GLN 321 Cb 0.40 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.77 1ps3 h GLN 321 CO 0.01 0.36 0.09 -1.49 -0.95 0.00 0.00 178.83 176.86 1ps3 h TRP 322 N -0.13 0.16 0.00 2.96 6.55 -0.88 -1.19 115.95 123.42 1ps3 h TRP 322 Ca 0.02 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.85 1ps3 h TRP 322 Cb 0.30 -0.01 -0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1ps3 h TRP 322 CO 0.02 0.04 -0.14 0.87 -1.05 0.00 0.00 178.44 178.18 1ps3 h LYS 323 N 0.23 0.00 -0.13 0.49 1.57 -0.81 0.88 116.57 118.79 1ps3 h LYS 323 Ca 0.18 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1ps3 h LYS 323 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1ps3 h LYS 323 CO -0.22 0.14 -0.55 0.87 -0.57 0.00 0.00 179.45 179.12 1ps3 h LYS 324 N 0.00 0.60 -0.78 3.15 1.57 -0.72 -2.87 116.57 117.52 1ps3 h LYS 324 Ca -0.00 -0.47 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 1ps3 h LYS 324 Cb 0.25 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1ps3 h LYS 324 CO 0.02 1.09 0.35 -0.22 -0.57 0.00 0.00 179.45 180.12 1ps3 h LYS 325 N 0.25 1.14 0.00 3.15 3.64 -0.56 -2.06 116.57 122.13 1ps3 h LYS 325 Ca -0.03 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ps3 h LYS 325 Cb 1.18 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1ps3 h LYS 325 CO 0.11 0.90 -0.02 0.00 -2.27 0.00 0.00 179.45 178.17 1ps3 h ALA 326 N 1.26 1.59 0.00 5.00 0.00 -0.76 -1.66 119.26 124.69 1ps3 h ALA 326 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ps3 h ALA 326 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ps3 h ALA 326 CO -0.03 0.02 0.00 0.93 0.00 0.00 0.00 179.25 180.17 1ps3 h GLU 327 N 0.00 0.00 -0.00 0.00 4.39 -1.15 -2.51 114.58 115.31 1ps3 h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ps3 h GLU 327 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1ps3 h GLU 327 CO 0.00 0.00 -0.31 1.28 -1.16 0.00 0.00 179.01 178.82 1ps3 n LEU 328 N -2.62 0.44 -4.54 1.33 4.77 -0.62 -4.91 117.00 110.84 1ps3 n LEU 328 Ca 0.00 0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 1ps3 n LEU 328 Cb 0.18 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 1ps3 n LEU 328 CO 0.20 0.10 -0.40 -0.31 -1.33 0.00 0.00 177.39 175.65 1ps3 s TYR 329 N -2.88 2.41 -1.42 -1.77 1.51 -0.95 -4.44 117.35 109.81 1ps3 s TYR 329 Ca 0.15 -0.41 0.27 0.00 -1.01 0.00 0.00 57.07 56.08 1ps3 s TYR 329 Cb 0.18 -1.24 0.86 0.00 -0.11 0.00 0.00 41.96 41.65 1ps3 s TYR 329 CO 0.61 0.62 1.64 0.54 -1.11 0.00 0.00 175.55 177.85 1ps3 n ARG 330 N -0.77 0.46 -4.78 -0.62 1.74 -1.26 -4.94 116.66 106.48 1ps3 n ARG 330 Ca -0.05 -0.22 -0.34 0.00 -0.77 0.00 0.00 57.85 56.47 1ps3 n ARG 330 Cb 0.62 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 1ps3 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ps3 s THR 331 N -2.70 1.03 -0.34 0.55 -4.23 -1.26 -4.63 115.64 104.05 1ps3 s THR 331 Ca 0.20 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.81 1ps3 s THR 331 Cb 0.19 -2.03 0.73 0.00 1.34 0.00 0.00 72.50 72.73 1ps3 s THR 331 CO 0.56 0.00 1.78 -0.46 -0.54 0.00 0.00 174.62 175.96 1ps3 n ASN 332 N -1.31 4.77 -4.24 3.99 6.94 -1.26 -4.84 115.26 119.31 1ps3 n ASN 332 Ca -0.21 -3.18 -0.34 0.00 -0.02 0.00 0.00 54.58 50.83 1ps3 n ASN 332 Cb 0.67 -0.74 -0.15 0.00 -2.36 0.00 0.00 39.78 37.20 1ps3 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ps3 s VAL 333 N -2.90 2.77 -0.07 3.53 1.01 -1.26 -0.71 120.40 122.77 1ps3 s VAL 333 Ca 0.53 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1ps3 s VAL 333 Cb 0.43 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1ps3 s VAL 333 CO 0.13 0.49 -0.15 -0.22 0.00 0.00 0.00 175.10 175.35 1ps3 s LEU 334 N 1.23 2.67 -0.27 3.92 2.96 0.43 -4.98 118.68 124.65 1ps3 s LEU 334 Ca 0.03 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 1ps3 s LEU 334 Cb -0.14 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1ps3 s LEU 334 CO -0.06 0.28 0.12 -0.22 -1.32 0.00 0.00 176.35 175.16 1ps3 s LEU 335 N -0.35 3.77 -0.42 -0.68 2.96 -1.26 -1.34 118.68 121.35 1ps3 s LEU 335 Ca 0.03 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1ps3 s LEU 335 Cb -0.12 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.68 1ps3 s LEU 335 CO 0.02 -0.08 0.15 -0.63 -1.32 0.00 0.00 176.35 174.49 1ps3 s ILE 336 N 1.65 2.31 0.52 6.68 -1.09 -0.04 -4.99 121.20 126.25 1ps3 s ILE 336 Ca 0.06 -2.74 -0.22 0.00 -2.23 0.00 0.00 60.65 55.52 1ps3 s ILE 336 Cb -0.16 -2.66 -0.06 0.00 -1.58 0.00 0.00 42.46 38.01 1ps3 s ILE 336 CO 0.06 -0.70 1.24 -2.84 -1.23 0.00 0.00 174.94 171.47 1ps3 s PRO 337 N 0.39 3.36 -0.40 2.79 0.02 -1.26 -1.20 135.00 138.70 1ps3 s PRO 337 Ca 0.14 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1ps3 s PRO 337 Cb -0.22 -2.24 0.13 0.00 0.02 0.00 0.00 34.50 32.19 1ps3 s PRO 337 CO -0.05 -0.93 0.21 -1.17 -0.33 0.00 0.00 177.00 174.74 1ps3 s LEU 338 N -3.44 2.11 0.00 -5.54 2.96 0.69 -4.75 118.68 110.70 1ps3 s LEU 338 Ca 0.70 -2.36 0.00 0.00 -0.22 0.00 0.00 54.13 52.25 1ps3 s LEU 338 Cb -0.33 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 45.54 1ps3 s LEU 338 CO 0.39 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 1ps3 n GLY 339 N 3.87 -1.26 0.00 7.98 0.00 -1.26 -1.22 105.19 113.30 1ps3 n GLY 339 Ca 0.08 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1ps3 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ps3 n ASP 340 N 0.30 0.00 -4.70 1.61 -0.08 -1.25 -3.16 116.55 109.27 1ps3 n ASP 340 Ca 0.00 -0.96 -0.42 0.00 -1.51 0.00 0.00 54.79 51.90 1ps3 n ASP 340 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1ps3 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1ps3 s ASP 341 N -0.88 6.55 -1.63 1.67 1.11 -1.26 -1.65 116.67 120.58 1ps3 s ASP 341 Ca 0.00 2.59 -0.11 0.00 0.18 0.00 0.00 52.55 55.21 1ps3 s ASP 341 Cb 0.00 -2.57 0.10 0.00 1.07 0.00 0.00 42.92 41.52 1ps3 s ASP 341 CO 0.00 -0.91 0.49 0.49 1.18 0.00 0.00 175.17 176.42 1ps3 n PHE 342 N 5.29 -1.51 -2.08 4.23 3.01 0.71 -4.83 117.46 122.29 1ps3 n PHE 342 Ca 0.16 0.73 -0.28 0.00 1.01 0.00 0.00 57.45 59.07 1ps3 n PHE 342 Cb 0.39 -2.92 0.11 0.00 -0.01 0.00 0.00 39.48 37.05 1ps3 n PHE 342 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1ps3 s ARG 343 N -6.99 1.66 -1.25 -1.08 1.81 -1.18 -4.46 118.95 107.46 1ps3 s ARG 343 Ca 0.41 -0.27 -0.00 0.00 -1.72 0.00 0.00 55.73 54.15 1ps3 s ARG 343 Cb -0.23 -2.03 -0.00 0.00 -0.45 0.00 0.00 34.95 32.23 1ps3 s ARG 343 CO 0.95 -1.68 0.84 1.19 -0.68 0.00 0.00 175.30 175.92 1ps3 n PHE 344 N -3.26 -2.05 0.00 -0.53 3.01 -1.26 -4.76 117.46 108.61 1ps3 n PHE 344 Ca 0.11 0.88 0.00 0.00 1.01 0.00 0.00 57.45 59.45 1ps3 n PHE 344 Cb 0.60 -4.70 0.00 0.00 -0.01 0.00 0.00 39.48 35.37 1ps3 n PHE 344 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ps3 n LYS 345 N -4.19 0.00 -2.18 -1.08 4.81 -1.26 -4.47 118.16 109.80 1ps3 n LYS 345 Ca -0.29 0.12 -0.38 0.00 -0.87 0.00 0.00 58.31 56.89 1ps3 n LYS 345 Cb 0.67 -0.53 -0.00 0.00 0.02 0.00 0.00 35.03 35.19 1ps3 n LYS 345 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ps3 s GLN 346 N -0.74 3.73 0.24 1.64 -0.21 -1.26 -4.46 119.66 118.61 1ps3 s GLN 346 Ca 0.00 1.89 -0.05 0.00 0.02 0.00 0.00 55.36 57.22 1ps3 s GLN 346 Cb 0.00 -2.46 0.37 0.00 1.00 0.00 0.00 33.01 31.93 1ps3 s GLN 346 CO 0.00 -0.61 1.83 -0.91 -2.12 0.00 0.00 175.29 173.48 1ps3 h ASN 347 N 2.10 0.74 -0.03 5.90 2.35 -1.96 -0.65 115.58 124.04 1ps3 h ASN 347 Ca -0.49 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1ps3 h ASN 347 Cb 1.25 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 1ps3 h ASN 347 CO 0.60 0.45 -0.01 0.71 -1.65 0.00 0.00 177.43 177.53 1ps3 h THR 348 N 0.86 1.07 -0.23 2.81 1.35 -1.99 -1.84 112.91 114.95 1ps3 h THR 348 Ca 0.39 -0.26 -0.10 0.00 -0.55 0.00 0.00 66.41 65.89 1ps3 h THR 348 Cb 0.29 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1ps3 h THR 348 CO -0.22 0.08 -0.25 -0.08 -0.25 0.00 0.00 175.52 174.81 1ps3 h GLU 349 N 0.13 0.57 -0.55 4.72 4.81 -1.50 -0.56 114.58 122.20 1ps3 h GLU 349 Ca 0.03 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1ps3 h GLU 349 Cb 0.10 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1ps3 h GLU 349 CO 0.00 0.90 0.32 -1.49 -0.73 0.00 0.00 179.01 178.01 1ps3 h TRP 350 N 0.26 0.59 -0.17 0.92 4.06 -1.01 -1.78 115.95 118.82 1ps3 h TRP 350 Ca 0.03 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 1ps3 h TRP 350 Cb 0.81 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1ps3 h TRP 350 CO 0.08 0.32 0.04 -0.44 -3.56 0.00 0.00 178.44 174.88 1ps3 h ASP 351 N 0.62 0.26 -0.64 -3.49 3.32 -1.25 -0.98 116.42 114.27 1ps3 h ASP 351 Ca 0.23 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ps3 h ASP 351 Cb 0.07 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1ps3 h ASP 351 CO -0.12 0.43 0.30 1.62 -1.72 0.00 0.00 179.24 179.74 1ps3 h VAL 352 N 0.08 1.22 -0.01 -1.35 3.04 -0.91 -0.14 116.25 118.19 1ps3 h VAL 352 Ca 0.05 -0.65 -0.07 0.00 -1.01 0.00 0.00 66.70 65.02 1ps3 h VAL 352 Cb 0.27 0.39 0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1ps3 h VAL 352 CO 0.00 0.27 -0.28 1.56 -1.01 0.00 0.00 177.57 178.11 1ps3 h GLN 353 N 0.94 0.20 0.20 4.17 1.08 -1.28 -3.21 115.11 117.22 1ps3 h GLN 353 Ca 0.23 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1ps3 h GLN 353 Cb 0.13 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1ps3 h GLN 353 CO -0.03 0.93 -0.10 -0.09 -0.95 0.00 0.00 178.83 178.60 1ps3 h ARG 354 N -0.44 -0.26 -0.41 1.46 2.43 -1.04 -2.22 114.38 113.90 1ps3 h ARG 354 Ca -0.03 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ps3 h ARG 354 Cb 1.02 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1ps3 h ARG 354 CO 0.06 -0.02 0.25 0.28 -1.51 0.00 0.00 179.97 179.03 1ps3 h VAL 355 N -0.47 1.13 -0.37 0.20 2.07 -1.19 0.50 116.25 118.12 1ps3 h VAL 355 Ca -0.03 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1ps3 h VAL 355 Cb 0.35 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1ps3 h VAL 355 CO 0.05 0.13 0.13 0.78 0.02 0.00 0.00 177.57 178.67 1ps3 h ASN 356 N 0.55 0.52 0.04 0.57 2.35 -1.61 -2.00 115.58 116.00 1ps3 h ASN 356 Ca 0.15 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 1ps3 h ASN 356 Cb -0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1ps3 h ASN 356 CO -0.03 0.57 -0.21 1.88 -1.65 0.00 0.00 177.43 177.99 1ps3 h TYR 357 N 0.45 0.34 -0.93 1.19 -1.99 -1.23 -2.28 116.97 112.51 1ps3 h TYR 357 Ca 0.12 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1ps3 h TYR 357 Cb 0.22 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.82 1ps3 h TYR 357 CO 0.00 0.51 0.53 0.93 -0.00 0.00 0.00 178.16 180.14 1ps3 h GLU 358 N 0.28 1.28 -0.41 4.88 5.08 -0.53 -0.32 114.58 124.84 1ps3 h GLU 358 Ca 0.05 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1ps3 h GLU 358 Cb 0.54 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1ps3 h GLU 358 CO 0.04 0.92 -0.18 0.00 -1.00 0.00 0.00 179.01 178.79 1ps3 h ARG 359 N 1.29 0.79 -0.43 2.33 3.08 -0.89 -1.82 114.38 118.72 1ps3 h ARG 359 Ca 0.33 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1ps3 h ARG 359 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1ps3 h ARG 359 CO -0.06 0.91 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.67 1ps3 h LEU 360 N 0.70 0.76 -0.15 3.04 3.38 -0.93 -2.54 115.31 119.57 1ps3 h LEU 360 Ca 0.11 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1ps3 h LEU 360 Cb 0.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ps3 h LEU 360 CO 0.05 0.89 0.08 -0.26 0.09 0.00 0.00 178.44 179.29 1ps3 h PHE 361 N 0.61 0.21 -0.43 1.13 0.05 -0.88 0.51 116.94 118.15 1ps3 h PHE 361 Ca 0.12 -0.01 0.04 0.00 3.82 0.00 0.00 57.97 61.94 1ps3 h PHE 361 Cb 0.51 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.35 1ps3 h PHE 361 CO 0.04 0.23 0.20 1.49 -0.18 0.00 0.00 178.31 180.09 1ps3 h GLU 362 N 0.14 0.39 0.46 1.51 4.81 -1.32 0.21 114.58 120.79 1ps3 h GLU 362 Ca 0.05 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1ps3 h GLU 362 Cb 0.09 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ps3 h GLU 362 CO -0.01 0.26 -0.22 1.25 -0.73 0.00 0.00 179.01 179.56 1ps3 h HIS 363 N 0.40 -0.58 -0.31 0.92 2.76 -1.29 -2.73 115.15 114.33 1ps3 h HIS 363 Ca 0.19 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.39 1ps3 h HIS 363 Cb 0.12 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.23 1ps3 h HIS 363 CO -0.11 -0.26 0.04 0.82 -1.30 0.00 0.00 177.93 177.12 1ps3 h ILE 364 N -0.86 0.83 0.00 6.26 2.04 -0.76 -2.14 117.51 122.88 1ps3 h ILE 364 Ca -0.06 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1ps3 h ILE 364 Cb 0.57 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ps3 h ILE 364 CO 0.10 0.03 0.00 0.78 0.00 0.00 0.00 178.15 179.06 1ps3 h ASN 365 N 0.15 0.00 -0.00 1.72 2.35 -0.64 -2.87 115.58 116.28 1ps3 h ASN 365 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1ps3 h ASN 365 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1ps3 h ASN 365 CO -0.21 0.00 -0.92 -1.54 -1.65 0.00 0.00 177.43 173.12 1ps3 n SER 366 N -2.40 1.01 -4.37 5.81 3.41 -0.90 -4.76 113.62 111.41 1ps3 n SER 366 Ca 0.01 -1.00 -0.45 0.00 -0.26 0.00 0.00 58.87 57.17 1ps3 n SER 366 Cb 0.22 0.97 -0.03 0.00 -0.26 0.00 0.00 64.21 65.10 1ps3 n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ps3 s GLN 367 N -2.86 3.33 0.32 4.33 -1.52 -0.85 -4.93 119.66 117.48 1ps3 s GLN 367 Ca 0.08 -1.79 0.10 0.00 -1.95 0.00 0.00 55.36 51.81 1ps3 s GLN 367 Cb 0.15 -4.46 0.93 0.00 -0.22 0.00 0.00 33.01 29.41 1ps3 s GLN 367 CO 0.81 -1.50 1.71 0.00 -0.25 0.00 0.00 175.29 176.05 1ps3 h ALA 368 N 8.67 1.81 0.00 6.09 0.00 -1.86 -0.41 119.26 133.56 1ps3 h ALA 368 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ps3 h ALA 368 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ps3 h ALA 368 CO 0.99 -0.35 0.23 1.12 0.00 0.00 0.00 179.25 181.24 1ps3 h HIS 369 N 0.50 0.00 0.07 0.00 2.07 -1.94 -0.41 115.15 115.45 1ps3 h HIS 369 Ca 0.66 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.92 1ps3 h HIS 369 Cb 1.33 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.30 1ps3 h HIS 369 CO -0.02 0.00 -1.27 0.74 -3.07 0.00 0.00 177.93 174.31 1ps3 h PHE 370 N 0.00 0.28 -6.02 6.12 0.05 -1.37 -3.48 116.94 112.52 1ps3 h PHE 370 Ca 0.00 -0.21 -0.41 0.00 3.82 0.00 0.00 57.97 61.17 1ps3 h PHE 370 Cb 0.46 -0.01 0.07 0.00 2.00 0.00 0.00 35.95 38.47 1ps3 h PHE 370 CO 0.00 1.19 -0.78 0.09 -0.18 0.00 0.00 178.31 178.63 1ps3 n ASN 371 N -3.41 -2.84 -4.04 2.17 3.02 -0.17 -4.88 115.26 105.11 1ps3 n ASN 371 Ca -0.08 -0.74 -0.17 0.00 -0.03 0.00 0.00 54.58 53.57 1ps3 n ASN 371 Cb 1.00 -4.35 -0.13 0.00 -0.61 0.00 0.00 39.78 35.69 1ps3 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ps3 s VAL 372 N -3.48 0.67 -0.26 2.41 1.01 -1.26 -1.11 120.40 118.37 1ps3 s VAL 372 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1ps3 s VAL 372 Cb -0.11 -0.62 0.07 0.00 0.00 0.00 0.00 36.38 35.72 1ps3 s VAL 372 CO 0.79 -0.03 0.01 -1.58 0.00 0.00 0.00 175.10 174.29 1ps3 s GLN 373 N -0.78 1.22 0.02 2.72 2.00 -0.63 -4.33 119.66 119.88 1ps3 s GLN 373 Ca -0.01 -1.02 0.05 0.00 -2.00 0.00 0.00 55.36 52.38 1ps3 s GLN 373 Cb -0.06 -2.44 -0.03 0.00 0.80 0.00 0.00 33.01 31.28 1ps3 s GLN 373 CO 0.00 -0.74 -0.12 0.00 -0.50 0.00 0.00 175.29 173.94 1ps3 s ALA 374 N 1.47 2.83 0.14 1.58 0.00 -1.26 -0.94 121.76 125.58 1ps3 s ALA 374 Ca 0.01 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.62 1ps3 s ALA 374 Cb -0.18 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.05 1ps3 s ALA 374 CO -0.11 0.60 0.84 1.14 0.00 0.00 0.00 175.76 178.23 1ps3 s GLN 375 N -1.45 1.24 0.32 0.00 0.00 -0.63 -4.90 119.66 114.24 1ps3 s GLN 375 Ca 0.16 -0.61 -0.28 0.00 -0.00 0.00 0.00 55.36 54.63 1ps3 s GLN 375 Cb -0.11 0.47 -0.09 0.00 0.00 0.00 0.00 33.01 33.28 1ps3 s GLN 375 CO 0.07 -0.56 1.06 -0.06 0.00 0.00 0.00 175.29 175.80 1ps3 s PHE 376 N -3.44 3.51 0.35 9.60 2.99 -1.26 -0.83 117.98 128.90 1ps3 s PHE 376 Ca 0.09 1.70 -0.06 0.00 0.00 0.00 0.00 56.93 58.66 1ps3 s PHE 376 Cb -0.02 -3.19 0.02 0.00 0.00 0.00 0.00 43.02 39.83 1ps3 s PHE 376 CO -0.02 -0.46 0.57 0.41 -0.00 0.00 0.00 175.22 175.72 1ps3 n GLY 377 N 0.92 1.75 3.78 4.36 0.00 -0.27 -4.79 105.19 110.94 1ps3 n GLY 377 Ca 0.01 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 1ps3 n GLY 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ps3 s THR 378 N -2.58 2.23 0.14 2.61 -4.23 -1.26 -4.20 115.64 108.35 1ps3 s THR 378 Ca 0.24 -1.63 -0.15 0.00 -1.18 0.00 0.00 61.69 58.97 1ps3 s THR 378 Cb -0.02 -2.86 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1ps3 s THR 378 CO 0.17 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.17 1ps3 h LEU 379 N 1.28 0.62 -1.12 4.79 5.85 -1.97 -2.49 115.31 122.28 1ps3 h LEU 379 Ca -0.42 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.12 1ps3 h LEU 379 Cb 1.26 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1ps3 h LEU 379 CO 0.67 0.64 0.57 -0.61 -0.34 0.00 0.00 178.44 179.37 1ps3 h GLN 380 N 0.56 1.16 -0.87 1.25 5.75 -1.96 -1.74 115.11 119.26 1ps3 h GLN 380 Ca 0.14 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1ps3 h GLN 380 Cb 0.23 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1ps3 h GLN 380 CO -0.01 0.78 0.45 0.93 -2.65 0.00 0.00 178.83 178.33 1ps3 h GLU 381 N 1.20 1.23 0.26 1.69 5.08 -1.89 0.11 114.58 122.27 1ps3 h GLU 381 Ca 0.32 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ps3 h GLU 381 Cb -0.12 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.90 1ps3 h GLU 381 CO -0.07 0.92 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.82 1ps3 h TYR 382 N 1.23 -0.33 -0.82 4.33 3.20 -0.94 -2.01 116.97 121.63 1ps3 h TYR 382 Ca 0.30 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 1ps3 h TYR 382 Cb 0.07 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 1ps3 h TYR 382 CO 0.01 -0.10 0.54 0.74 -1.64 0.00 0.00 178.16 177.71 1ps3 h PHE 383 N -0.50 1.02 -0.79 -3.82 0.05 -1.09 -0.97 116.94 110.83 1ps3 h PHE 383 Ca -0.04 0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.81 1ps3 h PHE 383 Cb 0.37 -0.34 -0.05 0.00 2.00 0.00 0.00 35.95 37.93 1ps3 h PHE 383 CO -0.02 0.62 0.51 -0.44 -0.18 0.00 0.00 178.31 178.80 1ps3 h ASP 384 N 1.09 0.84 -0.46 2.17 3.32 -0.70 -1.52 116.42 121.17 1ps3 h ASP 384 Ca 0.31 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 1ps3 h ASP 384 Cb -0.09 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1ps3 h ASP 384 CO -0.08 0.58 -0.01 0.00 -1.72 0.00 0.00 179.24 178.01 1ps3 h ALA 385 N 1.33 0.62 -0.46 3.45 0.00 -0.76 -1.74 119.26 121.70 1ps3 h ALA 385 Ca 0.32 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ps3 h ALA 385 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1ps3 h ALA 385 CO -0.11 0.42 0.30 0.28 0.00 0.00 0.00 179.25 180.14 1ps3 h VAL 386 N 0.66 1.10 0.00 0.00 2.07 -0.77 -1.46 116.25 117.84 1ps3 h VAL 386 Ca 0.13 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1ps3 h VAL 386 Cb 0.52 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1ps3 h VAL 386 CO 0.03 0.11 -0.23 0.45 0.02 0.00 0.00 177.57 177.95 1ps3 h HIS 387 N 0.60 0.00 -0.27 1.57 -0.00 -1.19 -0.35 115.15 115.52 1ps3 h HIS 387 Ca 0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.37 1ps3 h HIS 387 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1ps3 h HIS 387 CO -0.05 0.23 -0.53 1.96 -0.00 0.00 0.00 177.93 179.54 1ps3 h GLN 388 N 0.00 0.77 -0.33 2.45 4.20 -0.79 -0.59 115.11 120.83 1ps3 h GLN 388 Ca -0.00 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.18 1ps3 h GLN 388 Cb 0.72 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1ps3 h GLN 388 CO 0.03 1.11 0.03 0.00 -0.67 0.00 0.00 178.83 179.32 1ps3 h ALA 389 N 0.80 0.44 -0.53 3.87 0.00 -0.73 -1.76 119.26 121.34 1ps3 h ALA 389 Ca 0.02 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ps3 h ALA 389 Cb 1.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1ps3 h ALA 389 CO 0.11 0.16 0.26 1.49 0.00 0.00 0.00 179.25 181.27 1ps3 h GLU 390 N 0.37 0.48 0.00 0.00 4.81 -0.95 -0.93 114.58 118.37 1ps3 h GLU 390 Ca 0.10 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ps3 h GLU 390 Cb 0.40 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1ps3 h GLU 390 CO 0.01 0.32 -0.16 0.00 -0.73 0.00 0.00 179.01 178.45 1ps3 h ARG 391 N 0.50 0.00 0.00 1.92 3.08 -0.94 -0.17 114.38 118.77 1ps3 h ARG 391 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1ps3 h ARG 391 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1ps3 h ARG 391 CO -0.18 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 178.88 1ps3 n ALA 392 N -2.23 2.50 -1.46 0.04 0.00 -0.40 -4.88 120.51 114.07 1ps3 n ALA 392 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1ps3 n ALA 392 Cb 0.33 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1ps3 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ps3 n GLY 393 N 0.96 0.43 0.41 0.00 0.00 -0.07 -4.94 105.19 101.97 1ps3 n GLY 393 Ca 0.18 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1ps3 n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ps3 n GLN 394 N -2.22 1.22 -3.63 1.61 10.64 -0.93 -4.93 117.38 119.15 1ps3 n GLN 394 Ca -0.02 -0.82 -0.15 0.00 -1.83 0.00 0.00 57.00 54.18 1ps3 n GLN 394 Cb 0.25 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.07 1ps3 n GLN 394 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ps3 s ALA 395 N -2.35 -1.51 -0.12 2.61 0.00 -1.26 -4.82 121.76 114.30 1ps3 s ALA 395 Ca 0.26 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.63 1ps3 s ALA 395 Cb 0.19 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ps3 s ALA 395 CO 0.47 -0.31 -0.13 -1.21 0.00 0.00 0.00 175.76 174.57 1ps3 s GLU 396 N -0.44 2.13 0.07 0.00 8.01 -1.26 -4.71 118.70 122.49 1ps3 s GLU 396 Ca -0.06 -0.51 -0.10 0.00 0.01 0.00 0.00 54.97 54.31 1ps3 s GLU 396 Cb -0.03 -1.92 -0.06 0.00 -4.31 0.00 0.00 34.13 27.82 1ps3 s GLU 396 CO 0.05 -0.17 0.39 -0.06 0.01 0.00 0.00 175.26 175.48 1ps3 s PHE 397 N 1.30 3.60 0.59 1.61 0.40 -1.26 -5.09 117.98 119.13 1ps3 s PHE 397 Ca -0.00 0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 56.98 1ps3 s PHE 397 Cb -0.14 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 1ps3 s PHE 397 CO -0.06 0.54 1.03 -1.25 0.70 0.00 0.00 175.22 176.18 1ps3 s PRO 398 N -1.81 3.48 0.18 0.24 0.04 -1.26 -4.82 135.00 131.06 1ps3 s PRO 398 Ca 0.32 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1ps3 s PRO 398 Cb -0.14 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1ps3 s PRO 398 CO 0.17 -0.66 0.36 0.95 0.04 0.00 0.00 177.00 177.86 1ps3 s THR 399 N -2.69 5.23 -0.11 1.26 -4.23 -1.26 -1.04 115.64 112.81 1ps3 s THR 399 Ca 0.60 -0.38 -0.19 0.00 -1.18 0.00 0.00 61.69 60.55 1ps3 s THR 399 Cb -0.13 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.04 1ps3 s THR 399 CO 0.40 -0.12 0.47 -0.22 -0.54 0.00 0.00 174.62 174.61 1ps3 s LEU 400 N -3.19 0.20 0.08 4.79 0.20 -0.66 -1.58 118.68 118.52 1ps3 s LEU 400 Ca 0.38 0.69 0.02 0.00 0.69 0.00 0.00 54.13 55.91 1ps3 s LEU 400 Cb -0.11 1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 47.31 1ps3 s LEU 400 CO 0.28 -0.32 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.02 1ps3 s SER 401 N -0.42 1.03 0.00 3.68 1.04 -0.58 -1.20 113.70 117.26 1ps3 s SER 401 Ca -0.06 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1ps3 s SER 401 Cb -0.03 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1ps3 s SER 401 CO 0.03 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1ps3 n GLY 402 N 0.43 0.59 3.63 7.32 0.00 -1.26 -1.66 105.19 114.23 1ps3 n GLY 402 Ca -0.15 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.32 1ps3 n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ps3 s ASP 403 N -2.30 3.41 -0.48 1.61 -4.77 -1.26 -4.42 116.67 108.46 1ps3 s ASP 403 Ca 0.00 -1.71 0.07 0.00 -3.30 0.00 0.00 52.55 47.61 1ps3 s ASP 403 Cb 0.00 0.62 0.38 0.00 -1.09 0.00 0.00 42.92 42.82 1ps3 s ASP 403 CO 0.00 -0.95 0.97 0.49 0.70 0.00 0.00 175.17 176.38 1ps3 n PHE 404 N -1.09 3.03 -4.33 2.11 3.01 -0.10 -4.92 117.46 115.16 1ps3 n PHE 404 Ca -0.12 -3.58 -0.22 0.00 1.01 0.00 0.00 57.45 54.54 1ps3 n PHE 404 Cb 0.66 -0.34 -0.13 0.00 -0.01 0.00 0.00 39.48 39.66 1ps3 n PHE 404 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1ps3 s PHE 405 N -3.32 1.54 -0.15 1.38 2.99 -1.26 -2.83 117.98 116.33 1ps3 s PHE 405 Ca 0.45 -0.41 -0.11 0.00 0.00 0.00 0.00 56.93 56.86 1ps3 s PHE 405 Cb 0.35 -0.87 -0.05 0.00 0.00 0.00 0.00 43.02 42.44 1ps3 s PHE 405 CO -0.13 0.12 0.21 0.99 -0.00 0.00 0.00 175.22 176.41 1ps3 s THR 406 N -1.07 5.36 0.39 0.64 2.01 -1.26 -5.10 115.64 116.61 1ps3 s THR 406 Ca 0.04 0.38 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 1ps3 s THR 406 Cb -0.09 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1ps3 s THR 406 CO 0.03 0.48 1.29 -0.47 -0.69 0.00 0.00 174.62 175.25 1ps3 s TYR 407 N -0.07 2.90 -0.05 4.92 5.04 -1.26 -4.79 117.35 124.03 1ps3 s TYR 407 Ca 0.14 1.43 -0.02 0.00 -2.44 0.00 0.00 57.07 56.18 1ps3 s TYR 407 Cb -0.12 -3.64 0.04 0.00 0.35 0.00 0.00 41.96 38.58 1ps3 s TYR 407 CO 0.03 -1.94 0.09 0.00 -1.34 0.00 0.00 175.55 172.38 1ps3 s ALA 408 N -1.25 -0.00 -0.29 3.97 0.00 -1.26 -0.78 121.76 122.14 1ps3 s ALA 408 Ca 0.55 0.41 0.23 0.00 0.00 0.00 0.00 51.96 53.15 1ps3 s ALA 408 Cb -0.37 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1ps3 s ALA 408 CO 0.48 -0.30 0.94 -0.40 0.00 0.00 0.00 175.76 176.49 1ps3 n ASP 409 N 4.68 0.62 -3.56 0.00 5.75 -1.23 -2.70 116.55 120.11 1ps3 n ASP 409 Ca -0.17 0.14 -0.10 0.00 -0.01 0.00 0.00 54.79 54.65 1ps3 n ASP 409 Cb 0.50 0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 41.36 1ps3 n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ps3 s ARG 410 N -3.35 0.65 0.00 0.11 1.70 -1.26 -4.78 118.95 112.02 1ps3 s ARG 410 Ca -0.01 0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 1ps3 s ARG 410 Cb 0.12 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1ps3 s ARG 410 CO 0.81 -0.22 0.00 -1.13 -1.08 0.00 0.00 175.30 173.68 1ps3 n SER 411 N 0.52 0.00 -1.42 -2.89 3.41 -1.26 -1.28 113.62 110.69 1ps3 n SER 411 Ca -0.10 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.59 1ps3 n SER 411 Cb 0.59 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.87 1ps3 n SER 411 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ps3 n ASP 412 N 1.56 4.77 -4.58 4.04 5.75 -1.26 -4.87 116.55 121.96 1ps3 n ASP 412 Ca 0.00 -2.81 -0.43 0.00 -0.01 0.00 0.00 54.79 51.54 1ps3 n ASP 412 Cb 0.00 -0.59 -0.00 0.00 -1.03 0.00 0.00 41.12 39.50 1ps3 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1ps3 s ASN 413 N -1.21 6.78 -0.04 -1.12 0.02 -0.40 -4.97 114.94 114.00 1ps3 s ASN 413 Ca 0.48 -2.34 -0.20 0.00 -1.02 0.00 0.00 52.86 49.78 1ps3 s ASN 413 Cb 0.36 -2.58 -0.05 0.00 0.02 0.00 0.00 41.25 39.00 1ps3 s ASN 413 CO 0.15 -1.23 0.58 -0.31 0.02 0.00 0.00 177.10 176.32 1ps3 s TYR 414 N 4.39 3.63 -1.43 2.20 1.51 -1.26 -3.57 117.35 122.82 1ps3 s TYR 414 Ca 0.53 1.14 -0.08 0.00 -1.01 0.00 0.00 57.07 57.65 1ps3 s TYR 414 Cb 0.04 -2.61 0.05 0.00 -0.11 0.00 0.00 41.96 39.32 1ps3 s TYR 414 CO 0.06 0.29 2.51 0.91 -1.11 0.00 0.00 175.55 178.20 1ps3 n TRP 415 N 3.04 2.64 0.94 2.71 7.02 0.04 -3.03 117.44 130.80 1ps3 n TRP 415 Ca -0.06 -2.92 0.10 0.00 -1.02 0.00 0.00 57.50 53.60 1ps3 n TRP 415 Cb 0.51 -2.11 -0.01 0.00 -2.42 0.00 0.00 31.31 27.28 1ps3 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1ps3 n SER 416 N 2.86 1.88 -0.13 -0.99 3.41 -1.22 -4.40 113.62 115.02 1ps3 n SER 416 Ca 0.65 -1.44 -0.09 0.00 -0.26 0.00 0.00 58.87 57.73 1ps3 n SER 416 Cb 0.26 0.52 0.06 0.00 -0.26 0.00 0.00 64.21 64.79 1ps3 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ps3 h GLY 417 N 4.58 0.96 1.41 5.00 0.00 -1.42 -2.91 103.07 110.69 1ps3 h GLY 417 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1ps3 h GLY 417 CO 0.00 0.73 0.00 1.58 0.00 0.00 0.00 176.54 178.85 1ps3 n TYR 418 N -4.13 0.00 0.46 5.60 0.18 -1.08 -1.62 117.16 116.57 1ps3 n TYR 418 Ca 0.01 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.91 1ps3 n TYR 418 Cb 0.42 -0.20 0.47 0.00 -0.38 0.00 0.00 39.34 39.64 1ps3 n TYR 418 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1ps3 n TYR 419 N -1.20 0.86 0.00 -3.48 0.53 -1.10 -3.91 117.16 108.86 1ps3 n TYR 419 Ca 0.08 0.31 0.00 0.00 -1.02 0.00 0.00 57.90 57.27 1ps3 n TYR 419 Cb 0.10 -1.00 0.00 0.00 -1.03 0.00 0.00 39.34 37.41 1ps3 n TYR 419 CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 1ps3 n THR 420 N -2.26 0.00 -1.53 -0.72 -1.04 -0.64 -2.46 114.28 105.62 1ps3 n THR 420 Ca 0.03 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.52 1ps3 n THR 420 Cb 0.29 -0.47 -0.06 0.00 -1.82 0.00 0.00 70.33 68.27 1ps3 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ps3 n SER 421 N -1.51 0.65 -3.48 8.00 7.64 -0.93 -2.59 113.62 121.41 1ps3 n SER 421 Ca 0.00 1.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.79 1ps3 n SER 421 Cb 0.28 -1.08 0.05 0.00 -1.01 0.00 0.00 64.21 62.45 1ps3 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ps3 n ARG 422 N 1.73 -1.64 0.30 1.43 3.00 -1.26 -4.07 116.66 116.16 1ps3 n ARG 422 Ca 0.18 0.68 0.18 0.00 -0.01 0.00 0.00 57.85 58.88 1ps3 n ARG 422 Cb 0.18 -4.85 0.96 0.00 0.00 0.00 0.00 32.46 28.75 1ps3 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1ps3 h PRO 423 N -1.41 0.00 -0.26 5.56 0.13 -1.82 -2.84 132.00 131.35 1ps3 h PRO 423 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1ps3 h PRO 423 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1ps3 h PRO 423 CO 0.45 0.03 0.16 -0.92 -0.23 0.00 0.00 178.00 177.50 1ps3 h TYR 424 N 0.00 0.33 0.00 1.56 3.20 -1.90 -1.50 116.97 118.66 1ps3 h TYR 424 Ca -0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1ps3 h TYR 424 Cb 0.15 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1ps3 h TYR 424 CO 0.00 0.23 -0.36 0.45 -1.64 0.00 0.00 178.16 176.84 1ps3 h HIS 425 N 0.34 0.00 -0.48 -3.82 3.86 -1.88 -0.95 115.15 112.22 1ps3 h HIS 425 Ca 0.09 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.17 1ps3 h HIS 425 Cb -0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1ps3 h HIS 425 CO -0.05 0.36 -0.22 0.87 0.86 0.00 0.00 177.93 179.74 1ps3 h LYS 426 N 0.00 1.00 -0.23 2.45 1.57 -1.34 -0.64 116.57 119.38 1ps3 h LYS 426 Ca -0.00 -0.43 -0.18 0.00 -1.87 0.00 0.00 60.65 58.17 1ps3 h LYS 426 Cb 1.04 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1ps3 h LYS 426 CO 0.05 1.11 -0.57 -0.09 -0.57 0.00 0.00 179.45 179.38 1ps3 h ARG 427 N 0.86 0.73 -0.86 3.15 9.65 -1.03 -2.98 114.38 123.89 1ps3 h ARG 427 Ca 0.11 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.52 1ps3 h ARG 427 Cb 0.81 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.40 1ps3 h ARG 427 CO 0.07 1.09 0.56 1.98 2.80 0.00 0.00 179.97 186.47 1ps3 h MET 428 N 0.55 1.14 -0.62 0.20 4.05 -0.93 -2.23 114.93 117.09 1ps3 h MET 428 Ca 0.01 -0.08 0.09 0.00 -0.28 0.00 0.00 59.70 59.44 1ps3 h MET 428 Cb 1.15 -0.25 -0.07 0.00 -0.80 0.00 0.00 31.60 31.63 1ps3 h MET 428 CO 0.12 0.77 0.25 0.22 0.23 0.00 0.00 176.91 178.50 1ps3 h ASP 429 N 1.17 0.28 -0.19 1.39 1.82 -0.96 -0.64 116.42 119.30 1ps3 h ASP 429 Ca 0.31 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.91 1ps3 h ASP 429 Cb -0.12 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1ps3 h ASP 429 CO -0.07 0.17 -0.27 0.03 -1.61 0.00 0.00 179.24 177.49 1ps3 h ARG 430 N 0.45 0.66 -0.09 0.28 2.47 -1.41 -0.05 114.38 116.70 1ps3 h ARG 430 Ca 0.31 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1ps3 h ARG 430 Cb 0.36 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1ps3 h ARG 430 CO -0.29 0.86 0.01 0.28 0.56 0.00 0.00 179.97 181.40 1ps3 h VAL 431 N 0.57 1.22 -0.63 2.04 2.07 -1.00 -2.68 116.25 117.84 1ps3 h VAL 431 Ca 0.08 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1ps3 h VAL 431 Cb 0.75 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1ps3 h VAL 431 CO 0.06 0.19 0.19 0.25 0.02 0.00 0.00 177.57 178.28 1ps3 h LEU 432 N -0.09 0.90 -0.64 2.57 5.85 -1.06 -1.78 115.31 121.06 1ps3 h LEU 432 Ca 0.03 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.72 1ps3 h LEU 432 Cb 0.29 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 1ps3 h LEU 432 CO 0.00 0.85 0.11 -0.03 -0.34 0.00 0.00 178.44 179.03 1ps3 h MET 433 N 0.93 0.22 -0.26 1.25 4.05 -0.84 0.36 114.93 120.64 1ps3 h MET 433 Ca 0.21 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.48 1ps3 h MET 433 Cb 0.28 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1ps3 h MET 433 CO -0.01 0.14 -0.38 1.25 0.23 0.00 0.00 176.91 178.15 1ps3 h HIS 434 N 0.23 0.87 -0.67 1.39 -0.00 -1.10 -2.69 115.15 113.18 1ps3 h HIS 434 Ca 0.34 -0.29 -0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1ps3 h HIS 434 Cb 0.54 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.75 1ps3 h HIS 434 CO -0.28 1.06 0.31 1.88 -0.00 0.00 0.00 177.93 180.90 1ps3 h TYR 435 N 0.44 0.95 -0.29 5.26 -1.99 -0.69 -0.09 116.97 120.56 1ps3 h TYR 435 Ca 0.03 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1ps3 h TYR 435 Cb 0.97 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 1ps3 h TYR 435 CO 0.08 0.71 0.08 0.28 -0.00 0.00 0.00 178.16 179.31 1ps3 h VAL 436 N 0.95 1.21 -0.31 -2.88 2.07 -0.93 0.21 116.25 116.57 1ps3 h VAL 436 Ca 0.23 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ps3 h VAL 436 Cb 0.12 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1ps3 h VAL 436 CO -0.03 0.22 0.19 -0.09 0.02 0.00 0.00 177.57 177.88 1ps3 h ARG 437 N 0.31 0.42 -0.66 1.57 2.43 -1.10 -1.54 114.38 115.80 1ps3 h ARG 437 Ca 0.09 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1ps3 h ARG 437 Cb 0.26 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1ps3 h ARG 437 CO -0.00 0.31 0.22 0.00 -1.51 0.00 0.00 179.97 178.99 1ps3 h ALA 438 N 1.08 1.14 -0.30 2.80 0.00 -0.85 -0.97 119.26 122.16 1ps3 h ALA 438 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ps3 h ALA 438 Cb -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ps3 h ALA 438 CO -0.02 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.67 1ps3 h ALA 439 N 1.27 0.43 -0.43 0.00 0.00 -0.77 0.15 119.26 119.91 1ps3 h ALA 439 Ca 0.22 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1ps3 h ALA 439 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ps3 h ALA 439 CO -0.01 0.33 -0.16 0.93 0.00 0.00 0.00 179.25 180.33 1ps3 h GLU 440 N 0.39 0.81 0.05 0.00 5.08 -1.14 -2.36 114.58 117.41 1ps3 h GLU 440 Ca 0.07 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ps3 h GLU 440 Cb 0.68 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ps3 h GLU 440 CO 0.05 0.92 -0.02 1.98 -1.00 0.00 0.00 179.01 180.93 1ps3 h MET 441 N 0.72 -0.06 -0.79 2.33 4.05 -1.11 -2.13 114.93 117.94 1ps3 h MET 441 Ca 0.11 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.58 1ps3 h MET 441 Cb 0.67 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.44 1ps3 h MET 441 CO 0.05 0.46 0.52 -0.07 0.23 0.00 0.00 176.91 178.10 1ps3 h LEU 442 N -0.63 0.80 0.00 3.39 3.38 -0.99 -2.26 115.31 119.00 1ps3 h LEU 442 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ps3 h LEU 442 Cb 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ps3 h LEU 442 CO 0.01 0.54 -0.39 0.77 0.09 0.00 0.00 178.44 179.46 1ps3 h SER 443 N 0.93 0.00 0.88 -0.43 4.64 -1.48 -3.32 113.55 114.77 1ps3 h SER 443 Ca 0.32 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1ps3 h SER 443 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ps3 h SER 443 CO -0.10 0.05 -0.01 0.00 -0.87 0.00 0.00 176.83 175.89 1ps3 h ALA 444 N 2.40 1.01 0.00 5.18 0.00 -0.75 -3.07 119.26 124.02 1ps3 h ALA 444 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ps3 h ALA 444 Cb 0.80 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ps3 h ALA 444 CO 0.00 0.01 -0.14 -1.49 0.00 0.00 0.00 179.25 177.63 1ps3 h TRP 445 N 0.00 0.00 -2.67 0.00 4.06 -1.67 -3.45 115.95 112.23 1ps3 h TRP 445 Ca -0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 1ps3 h TRP 445 Cb 0.46 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.47 1ps3 h TRP 445 CO 0.00 0.14 -0.74 -1.01 -3.56 0.00 0.00 178.44 173.28 1ps3 s HIS 446 N -4.23 1.89 -0.06 0.49 3.76 -1.16 -5.10 115.29 110.88 1ps3 s HIS 446 Ca -0.03 -0.51 -0.15 0.00 -0.15 0.00 0.00 55.06 54.23 1ps3 s HIS 446 Cb 0.13 -0.87 -0.05 0.00 1.11 0.00 0.00 32.58 32.90 1ps3 s HIS 446 CO 0.61 0.46 0.38 0.45 -0.85 0.00 0.00 174.74 175.79 1ps3 s SER 447 N -3.38 6.69 0.14 1.40 0.15 -1.26 -4.99 113.70 112.44 1ps3 s SER 447 Ca 0.25 0.82 0.09 0.00 0.70 0.00 0.00 55.95 57.81 1ps3 s SER 447 Cb -0.02 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 1ps3 s SER 447 CO 0.09 0.24 -0.14 0.26 1.20 0.00 0.00 173.24 174.89 1ps3 s TRP 448 N -0.51 2.60 0.35 3.44 0.52 -1.26 -5.03 118.94 119.06 1ps3 s TRP 448 Ca 0.22 -0.23 -0.26 0.00 0.02 0.00 0.00 56.10 55.85 1ps3 s TRP 448 Cb -0.15 -1.34 -0.09 0.00 -1.15 0.00 0.00 33.47 30.74 1ps3 s TRP 448 CO 0.10 0.44 1.05 0.34 0.02 0.00 0.00 176.95 178.91 1ps3 s ASP 449 N -2.40 6.98 0.51 2.95 -1.08 -1.26 -4.18 116.67 118.19 1ps3 s ASP 449 Ca 0.21 2.08 0.28 0.00 -0.52 0.00 0.00 52.55 54.60 1ps3 s ASP 449 Cb -0.10 -2.60 1.38 0.00 -1.46 0.00 0.00 42.92 40.15 1ps3 s ASP 449 CO 0.12 -0.34 1.89 1.23 0.52 0.00 0.00 175.17 178.60 1ps3 h GLY 450 N 2.98 0.21 2.00 2.66 0.00 -2.01 0.99 103.07 109.90 1ps3 h GLY 450 Ca -0.48 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ps3 h GLY 450 CO 0.64 -0.00 -0.01 -0.33 0.00 0.00 0.00 176.54 176.84 1ps3 h MET 451 N 0.09 0.00 0.00 4.80 2.86 -2.05 -1.80 114.93 118.83 1ps3 h MET 451 Ca 0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 1ps3 h MET 451 Cb 1.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.17 1ps3 h MET 451 CO -0.05 0.01 0.00 0.00 1.06 0.00 0.00 176.91 177.93 1ps3 n ALA 452 N -2.24 1.92 -2.33 6.32 0.00 0.34 -4.90 120.51 119.62 1ps3 n ALA 452 Ca -0.03 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 1ps3 n ALA 452 Cb 0.09 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 1ps3 n ALA 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ps3 n ARG 453 N -2.29 -1.95 0.19 0.00 1.74 -0.68 -4.88 116.66 108.79 1ps3 n ARG 453 Ca 0.03 0.78 -0.14 0.00 -0.77 0.00 0.00 57.85 57.76 1ps3 n ARG 453 Cb 0.32 -5.37 -0.08 0.00 -1.02 0.00 0.00 32.46 26.30 1ps3 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1ps3 h ILE 454 N 0.00 0.64 -0.93 0.55 1.08 -1.84 -1.91 117.51 115.10 1ps3 h ILE 454 Ca -0.37 -0.47 0.07 0.00 -0.39 0.00 0.00 64.86 63.70 1ps3 h ILE 454 Cb 1.25 0.87 -0.06 0.00 -3.07 0.00 0.00 36.82 35.81 1ps3 h ILE 454 CO 0.44 0.09 0.60 -0.33 -0.69 0.00 0.00 178.15 178.27 1ps3 h GLU 455 N -0.75 1.02 0.45 2.37 3.07 -1.94 -1.00 114.58 117.81 1ps3 h GLU 455 Ca -0.05 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 1ps3 h GLU 455 Cb 0.51 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1ps3 h GLU 455 CO 0.08 0.68 -0.24 1.49 -1.40 0.00 0.00 179.01 179.62 1ps3 h GLU 456 N 1.05 -0.62 -0.85 2.33 4.81 -1.93 -0.85 114.58 118.53 1ps3 h GLU 456 Ca 0.40 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.64 1ps3 h GLU 456 Cb 0.21 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1ps3 h GLU 456 CO -0.16 -0.41 0.41 0.00 -0.73 0.00 0.00 179.01 178.12 1ps3 h ARG 457 N -0.64 1.22 -0.37 1.92 -0.00 -0.95 -2.49 114.38 113.07 1ps3 h ARG 457 Ca -0.06 -0.18 -0.09 0.00 -0.50 0.00 0.00 59.98 59.15 1ps3 h ARG 457 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 29.97 30.24 1ps3 h ARG 457 CO 0.08 0.94 -0.15 -0.07 0.00 0.00 0.00 179.97 180.78 1ps3 h LEU 458 N 1.21 0.65 -0.53 3.04 3.38 -1.10 -1.95 115.31 120.01 1ps3 h LEU 458 Ca 0.29 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1ps3 h LEU 458 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ps3 h LEU 458 CO -0.04 0.82 0.01 -0.08 0.09 0.00 0.00 178.44 179.24 1ps3 h GLU 459 N 0.60 0.94 -0.23 1.13 4.81 -0.87 -1.04 114.58 119.92 1ps3 h GLU 459 Ca 0.10 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1ps3 h GLU 459 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ps3 h GLU 459 CO 0.04 0.95 0.11 0.37 -0.73 0.00 0.00 179.01 179.75 1ps3 h GLN 460 N 0.81 0.33 -0.33 1.92 4.15 -1.26 -1.29 115.11 119.44 1ps3 h GLN 460 Ca 0.15 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1ps3 h GLN 460 Cb 0.52 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1ps3 h GLN 460 CO 0.03 0.33 0.21 0.00 -1.93 0.00 0.00 178.83 177.46 1ps3 h ALA 461 N 0.98 0.42 -0.78 3.38 0.00 -1.20 -0.52 119.26 121.54 1ps3 h ALA 461 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ps3 h ALA 461 Cb 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ps3 h ALA 461 CO -0.01 -0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.51 1ps3 h ARG 462 N 0.42 1.09 -0.18 0.00 3.08 -1.08 -2.39 114.38 115.32 1ps3 h ARG 462 Ca 0.13 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1ps3 h ARG 462 Cb -0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1ps3 h ARG 462 CO -0.04 0.82 -0.53 0.00 -1.07 0.00 0.00 179.97 179.15 1ps3 h ARG 463 N 1.08 0.52 -0.34 0.04 3.08 -0.84 0.07 114.38 117.99 1ps3 h ARG 463 Ca 0.27 -0.32 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 1ps3 h ARG 463 Cb 0.06 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1ps3 h ARG 463 CO -0.04 0.92 -0.46 0.93 -1.07 0.00 0.00 179.97 180.25 1ps3 h GLU 464 N 0.41 0.92 -0.36 0.04 4.39 -0.99 0.11 114.58 119.10 1ps3 h GLU 464 Ca 0.01 -0.53 -0.15 0.00 0.34 0.00 0.00 59.36 59.03 1ps3 h GLU 464 Cb 1.06 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1ps3 h GLU 464 CO 0.10 1.18 -0.38 1.25 -1.16 0.00 0.00 179.01 180.00 1ps3 h LEU 465 N 0.73 0.90 -0.70 1.33 5.85 -1.42 -2.73 115.31 119.27 1ps3 h LEU 465 Ca 0.04 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1ps3 h LEU 465 Cb 1.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1ps3 h LEU 465 CO 0.11 1.17 0.35 0.28 -0.34 0.00 0.00 178.44 180.01 1ps3 h SER 466 N 0.70 0.90 -0.92 1.25 0.02 -0.82 -2.61 113.55 112.07 1ps3 h SER 466 Ca 0.06 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1ps3 h SER 466 Cb 0.95 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 1ps3 h SER 466 CO 0.09 0.77 0.59 0.25 -1.14 0.00 0.00 176.83 177.38 1ps3 h LEU 467 N 0.96 1.08 -1.14 5.07 5.85 -0.86 -2.26 115.31 124.01 1ps3 h LEU 467 Ca 0.24 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1ps3 h LEU 467 Cb 0.09 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1ps3 h LEU 467 CO -0.03 0.80 0.00 0.15 -0.34 0.00 0.00 178.44 179.02 1ps3 h PHE 468 N 1.26 0.00 0.00 1.25 3.57 -1.16 -1.96 116.94 119.90 1ps3 h PHE 468 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1ps3 h PHE 468 Cb -0.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1ps3 h PHE 468 CO -0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 1ps3 n GLN 469 N -2.34 0.03 -1.33 1.11 1.13 -0.85 -0.91 117.38 114.22 1ps3 n GLN 469 Ca 0.00 0.18 -0.37 0.00 -1.94 0.00 0.00 57.00 54.88 1ps3 n GLN 469 Cb 0.15 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.06 1ps3 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1ps3 n HIS 470 N -1.48 -0.65 1.27 1.08 -0.00 -0.74 -0.72 115.22 113.99 1ps3 n HIS 470 Ca 0.05 0.38 0.01 0.00 -0.00 0.00 0.00 57.72 58.16 1ps3 n HIS 470 Cb 0.21 -1.94 0.08 0.00 -0.00 0.00 0.00 29.99 28.33 1ps3 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1ps3 n HIS 471 N -2.20 0.00 -0.39 1.57 1.44 -1.18 -1.33 115.22 113.13 1ps3 n HIS 471 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1ps3 n HIS 471 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1ps3 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1ps3 n ASP 472 N -0.56 0.80 0.00 4.39 8.00 -1.26 -4.65 116.55 123.27 1ps3 n ASP 472 Ca 0.02 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1ps3 n ASP 472 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1ps3 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ps3 n GLY 473 N -0.09 0.45 0.33 0.44 0.00 -0.44 -3.27 105.19 102.60 1ps3 n GLY 473 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1ps3 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ps3 h ILE 474 N 0.00 0.25 0.00 -0.61 2.10 -1.05 -1.09 117.51 117.11 1ps3 h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ps3 h ILE 474 Cb 0.00 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 1ps3 h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 1ps3 h THR 475 N 0.00 0.00 -1.43 2.19 1.35 -1.82 -3.44 112.91 109.76 1ps3 h THR 475 Ca 0.02 -0.45 -0.14 0.00 -0.55 0.00 0.00 66.41 65.29 1ps3 h THR 475 Cb 0.18 1.44 0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1ps3 h THR 475 CO -0.00 0.00 -0.20 0.61 -0.25 0.00 0.00 175.52 175.68 1ps3 n GLY 476 N -0.10 0.15 0.75 5.82 0.00 -0.41 -4.45 105.19 106.94 1ps3 n GLY 476 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1ps3 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ps3 n THR 477 N -3.86 2.08 -3.46 2.61 -2.24 -1.25 -4.58 114.28 103.59 1ps3 n THR 477 Ca -0.07 -1.82 -0.20 0.00 -2.27 0.00 0.00 64.05 59.69 1ps3 n THR 477 Cb 0.56 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1ps3 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ps3 s ALA 478 N -2.61 4.11 0.76 6.98 0.00 -1.20 -4.86 121.76 124.92 1ps3 s ALA 478 Ca 0.38 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1ps3 s ALA 478 Cb 0.30 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.71 1ps3 s ALA 478 CO 0.09 -0.05 1.11 0.15 0.00 0.00 0.00 175.76 177.06 1ps3 s LYS 479 N -4.21 2.23 0.24 0.00 1.02 -0.16 -4.75 119.74 114.11 1ps3 s LYS 479 Ca 0.44 1.33 -0.05 0.00 0.02 0.00 0.00 55.97 57.71 1ps3 s LYS 479 Cb -0.10 -1.88 0.45 0.00 -0.52 0.00 0.00 37.83 35.79 1ps3 s LYS 479 CO 0.32 -1.68 1.70 1.15 -0.92 0.00 0.00 175.35 175.92 1ps3 h THR 480 N -0.84 0.56 0.00 2.17 2.02 -1.95 -0.84 112.91 114.02 1ps3 h THR 480 Ca -0.45 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1ps3 h THR 480 Cb 1.25 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1ps3 h THR 480 CO 0.51 0.06 -0.05 1.12 0.37 0.00 0.00 175.52 177.53 1ps3 h HIS 481 N 0.31 0.00 0.08 3.16 2.07 -1.96 -2.38 115.15 116.43 1ps3 h HIS 481 Ca 0.41 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.68 1ps3 h HIS 481 Cb 0.68 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.66 1ps3 h HIS 481 CO -0.23 0.05 -1.11 0.28 -3.07 0.00 0.00 177.93 173.84 1ps3 h VAL 482 N 0.00 1.51 -0.56 6.12 2.07 -1.51 -2.55 116.25 121.33 1ps3 h VAL 482 Ca -0.00 -2.95 -0.08 0.00 0.82 0.00 0.00 66.70 64.49 1ps3 h VAL 482 Cb 0.68 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 1ps3 h VAL 482 CO 0.01 0.86 0.03 0.58 0.02 0.00 0.00 177.57 179.07 1ps3 h VAL 483 N 0.09 1.25 -0.76 2.57 2.07 -1.00 -1.88 116.25 118.60 1ps3 h VAL 483 Ca -0.10 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 1ps3 h VAL 483 Cb 1.82 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1ps3 h VAL 483 CO 0.18 0.38 0.31 0.58 0.02 0.00 0.00 177.57 179.04 1ps3 h VAL 484 N 0.88 1.25 -0.34 2.57 2.07 -1.38 -0.81 116.25 120.49 1ps3 h VAL 484 Ca 0.17 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1ps3 h VAL 484 Cb 0.48 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ps3 h VAL 484 CO 0.02 0.33 0.14 -0.78 0.02 0.00 0.00 177.57 177.30 1ps3 h ASP 485 N 1.11 0.46 -0.68 0.57 -0.00 -1.00 -0.21 116.42 116.67 1ps3 h ASP 485 Ca 0.26 -0.16 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1ps3 h ASP 485 Cb 0.21 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 39.38 1ps3 h ASP 485 CO -0.02 0.50 0.43 1.88 -0.00 0.00 0.00 179.24 182.03 1ps3 h TYR 486 N 0.40 0.88 -0.54 0.28 0.99 -0.98 -0.96 116.97 117.05 1ps3 h TYR 486 Ca 0.11 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 1ps3 h TYR 486 Cb 0.18 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.59 1ps3 h TYR 486 CO -0.01 0.58 0.23 1.49 -0.00 0.00 0.00 178.16 180.45 1ps3 h GLU 487 N 0.93 0.79 -0.49 4.88 4.81 -0.87 -0.50 114.58 124.13 1ps3 h GLU 487 Ca 0.25 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ps3 h GLU 487 Cb -0.06 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1ps3 h GLU 487 CO -0.05 0.67 0.29 1.96 -0.73 0.00 0.00 179.01 181.16 1ps3 h GLN 488 N 0.72 0.67 -0.55 1.92 4.20 -0.68 0.10 115.11 121.48 1ps3 h GLN 488 Ca 0.18 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1ps3 h GLN 488 Cb 0.17 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1ps3 h GLN 488 CO -0.02 0.49 0.30 0.00 -0.67 0.00 0.00 178.83 178.93 1ps3 h ARG 489 N 0.65 0.77 -0.09 1.46 3.08 -0.94 -1.57 114.38 117.74 1ps3 h ARG 489 Ca 0.18 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1ps3 h ARG 489 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1ps3 h ARG 489 CO -0.03 0.59 -0.38 0.52 -1.07 0.00 0.00 179.97 179.60 1ps3 h MET 490 N 0.74 0.19 -0.60 0.04 2.86 -0.72 -1.21 114.93 116.23 1ps3 h MET 490 Ca 0.19 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1ps3 h MET 490 Cb 0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1ps3 h MET 490 CO -0.03 0.55 0.04 0.37 1.06 0.00 0.00 176.91 178.90 1ps3 h GLN 491 N 0.17 1.03 -0.44 1.72 5.75 -0.35 -0.41 115.11 122.58 1ps3 h GLN 491 Ca 0.02 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.13 1ps3 h GLN 491 Cb 0.75 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1ps3 h GLN 491 CO 0.06 0.99 -0.07 0.93 -2.65 0.00 0.00 178.83 178.09 1ps3 h GLU 492 N 0.93 0.75 -0.72 1.69 5.08 -0.95 -2.10 114.58 119.26 1ps3 h GLU 492 Ca 0.18 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1ps3 h GLU 492 Cb 0.50 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1ps3 h GLU 492 CO 0.02 0.81 0.18 0.00 -1.00 0.00 0.00 179.01 179.02 1ps3 h ALA 493 N 1.23 0.96 -0.73 3.43 0.00 -0.67 -0.82 119.26 122.67 1ps3 h ALA 493 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1ps3 h ALA 493 Cb 0.53 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ps3 h ALA 493 CO 0.03 0.67 0.27 -0.07 0.00 0.00 0.00 179.25 180.15 1ps3 h LEU 494 N 1.09 1.02 -0.75 0.00 3.38 -0.78 -0.72 115.31 118.55 1ps3 h LEU 494 Ca 0.23 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1ps3 h LEU 494 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ps3 h LEU 494 CO 0.00 0.93 0.07 0.11 0.09 0.00 0.00 178.44 179.64 1ps3 h LYS 495 N 1.06 1.02 -0.40 1.13 1.57 -1.04 -1.42 116.57 118.49 1ps3 h LYS 495 Ca 0.24 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ps3 h LYS 495 Cb 0.24 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1ps3 h LYS 495 CO -0.02 0.96 0.21 0.00 -0.57 0.00 0.00 179.45 180.03 1ps3 h ALA 496 N 1.11 0.52 -0.59 3.86 0.00 -0.69 -1.76 119.26 121.71 1ps3 h ALA 496 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1ps3 h ALA 496 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ps3 h ALA 496 CO 0.02 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.32 1ps3 h GLN 498 N 0.95 0.43 -0.14 0.00 4.15 -1.02 0.26 115.11 119.74 1ps3 h GLN 498 Ca 0.17 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.58 1ps3 h GLN 498 Cb 0.54 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1ps3 h GLN 498 CO 0.03 0.29 0.01 1.98 -1.93 0.00 0.00 178.83 179.21 1ps3 h MET 499 N 0.45 0.06 -0.37 1.69 4.05 -1.13 0.05 114.93 119.73 1ps3 h MET 499 Ca 0.15 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1ps3 h MET 499 Cb 0.01 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1ps3 h MET 499 CO -0.08 0.04 0.15 0.28 0.23 0.00 0.00 176.91 177.53 1ps3 h VAL 500 N 0.06 1.19 -0.15 -5.77 2.07 -1.11 -1.99 116.25 110.55 1ps3 h VAL 500 Ca 0.06 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ps3 h VAL 500 Cb 0.07 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ps3 h VAL 500 CO -0.10 0.21 0.09 0.24 0.02 0.00 0.00 177.57 178.03 1ps3 h MET 501 N 0.46 0.18 -0.12 1.57 2.07 -0.22 -1.49 114.93 117.38 1ps3 h MET 501 Ca 0.12 -0.01 -0.11 0.00 -2.07 0.00 0.00 59.70 57.63 1ps3 h MET 501 Cb 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 1ps3 h MET 501 CO -0.01 0.12 -0.43 -0.56 1.07 0.00 0.00 176.91 177.10 1ps3 h GLN 502 N 0.19 0.27 -0.49 1.72 -0.00 -0.95 -1.18 115.11 114.67 1ps3 h GLN 502 Ca 0.06 -0.13 -0.11 0.00 -0.00 0.00 0.00 58.65 58.46 1ps3 h GLN 502 Cb -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.45 1ps3 h GLN 502 CO -0.02 0.65 -0.14 1.96 -0.00 0.00 0.00 178.83 181.27 1ps3 h GLN 503 N 0.22 0.93 -0.33 0.06 1.08 -1.23 -2.42 115.11 113.42 1ps3 h GLN 503 Ca 0.02 -0.35 -0.02 0.00 -1.45 0.00 0.00 58.65 56.84 1ps3 h GLN 503 Cb 0.85 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1ps3 h GLN 503 CO 0.07 1.01 0.11 0.77 -0.95 0.00 0.00 178.83 179.84 1ps3 h SER 504 N 0.82 0.47 -0.50 1.46 0.02 -0.85 -2.52 113.55 112.45 1ps3 h SER 504 Ca 0.12 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1ps3 h SER 504 Cb 0.69 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 1ps3 h SER 504 CO 0.05 0.54 0.33 0.58 -1.14 0.00 0.00 176.83 177.19 1ps3 h VAL 505 N 0.38 1.11 -0.75 2.27 2.07 -1.15 -0.02 116.25 120.17 1ps3 h VAL 505 Ca 0.11 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1ps3 h VAL 505 Cb 0.23 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1ps3 h VAL 505 CO -0.01 0.12 0.46 0.22 0.02 0.00 0.00 177.57 178.38 1ps3 h TYR 506 N 0.66 0.85 -0.25 1.57 3.20 -1.30 -1.29 116.97 120.41 1ps3 h TYR 506 Ca 0.19 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.90 1ps3 h TYR 506 Cb -0.06 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 1ps3 h TYR 506 CO -0.05 0.45 -0.58 -0.09 -1.64 0.00 0.00 178.16 176.26 1ps3 h ARG 507 N 0.86 0.79 0.00 1.82 2.43 -1.01 -2.76 114.38 116.50 1ps3 h ARG 507 Ca 0.32 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1ps3 h ARG 507 Cb 0.11 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1ps3 h ARG 507 CO -0.15 1.14 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.22 1ps3 h LEU 508 N 0.60 0.00 -3.02 3.80 3.38 -0.63 -3.28 115.31 116.15 1ps3 h LEU 508 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ps3 h LEU 508 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ps3 h LEU 508 CO 0.12 0.16 -0.08 0.18 0.09 0.00 0.00 178.44 178.92 1ps3 n LEU 509 N -3.29 2.50 -4.22 1.67 4.77 -0.52 -4.87 117.00 113.04 1ps3 n LEU 509 Ca 0.01 -3.22 -0.29 0.00 -0.03 0.00 0.00 56.01 52.47 1ps3 n LEU 509 Cb 0.41 -0.45 -0.16 0.00 -2.33 0.00 0.00 43.42 40.89 1ps3 n LEU 509 CO 0.32 0.82 -0.54 -0.89 -1.33 0.00 0.00 177.39 175.77 1ps3 s THR 510 N -2.94 1.81 0.01 -5.08 2.01 -1.04 -0.65 115.64 109.75 1ps3 s THR 510 Ca 0.34 -0.93 -0.36 0.00 0.31 0.00 0.00 61.69 61.04 1ps3 s THR 510 Cb 0.30 -1.53 -0.15 0.00 0.01 0.00 0.00 72.50 71.13 1ps3 s THR 510 CO 0.02 0.51 1.58 1.17 -0.69 0.00 0.00 174.62 177.21 1ps3 n LYS 511 N 3.00 1.62 -0.31 4.92 4.81 -0.59 -4.72 118.16 126.88 1ps3 n LYS 511 Ca -0.18 0.59 -0.01 0.00 -0.87 0.00 0.00 58.31 57.84 1ps3 n LYS 511 Cb 0.52 -2.31 0.05 0.00 0.02 0.00 0.00 35.03 33.31 1ps3 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1ps3 h PRO 512 N 6.28 -0.05 0.00 1.64 0.11 -1.93 0.22 132.00 138.28 1ps3 h PRO 512 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ps3 h PRO 512 Cb 1.30 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ps3 h PRO 512 CO 0.87 -0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.50 1ps3 n SER 513 N -5.49 0.00 -0.08 -2.05 3.41 -1.26 -2.69 113.62 105.47 1ps3 n SER 513 Ca 0.09 0.13 -0.08 0.00 -0.26 0.00 0.00 58.87 58.75 1ps3 n SER 513 Cb 0.40 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1ps3 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1ps3 n ILE 514 N -1.31 1.00 -1.63 -1.33 5.41 -0.07 -4.99 119.36 116.44 1ps3 n ILE 514 Ca 0.06 -0.56 -0.57 0.00 1.00 0.00 0.00 62.75 62.68 1ps3 n ILE 514 Cb 0.12 -0.73 -0.08 0.00 -0.71 0.00 0.00 39.64 38.24 1ps3 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ps3 n TYR 515 N -2.64 1.90 -3.42 1.39 9.36 -0.41 -4.91 117.16 118.43 1ps3 n TYR 515 Ca -0.25 0.53 -0.27 0.00 3.32 0.00 0.00 57.90 61.23 1ps3 n TYR 515 Cb 0.94 -2.45 -0.10 0.00 -0.63 0.00 0.00 39.34 37.10 1ps3 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1ps3 s SER 516 N 4.41 1.67 0.36 2.98 0.15 -1.26 -5.03 113.70 116.97 1ps3 s SER 516 Ca 1.03 -3.07 -0.26 0.00 0.70 0.00 0.00 55.95 54.34 1ps3 s SER 516 Cb -1.09 -0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 62.63 1ps3 s SER 516 CO 0.64 -0.17 1.08 -2.16 1.20 0.00 0.00 173.24 173.83 1ps3 s PRO 517 N 0.02 4.32 -0.36 5.44 0.04 -1.26 -5.02 135.00 138.18 1ps3 s PRO 517 Ca 0.32 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1ps3 s PRO 517 Cb 0.02 -2.79 0.09 0.00 0.04 0.00 0.00 34.50 31.87 1ps3 s PRO 517 CO -0.19 -0.04 0.09 0.34 0.04 0.00 0.00 177.00 177.25 1ps3 s ASP 518 N -1.27 4.96 0.00 6.66 -1.08 -1.26 -4.98 116.67 119.70 1ps3 s ASP 518 Ca 0.53 -1.92 0.00 0.00 -0.52 0.00 0.00 52.55 50.64 1ps3 s ASP 518 Cb -0.27 -1.72 0.00 0.00 -1.46 0.00 0.00 42.92 39.48 1ps3 s ASP 518 CO 0.34 -0.41 0.87 0.49 0.52 0.00 0.00 175.17 176.98 1ps3 n PHE 519 N 4.46 0.00 0.73 -5.34 3.72 -1.26 -0.82 117.46 118.94 1ps3 n PHE 519 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1ps3 n PHE 519 Cb 0.42 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.54 1ps3 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ps3 n SER 520 N -1.37 1.23 -4.84 4.37 3.41 -1.26 -5.00 113.62 110.16 1ps3 n SER 520 Ca 0.00 -1.11 -0.34 0.00 -0.26 0.00 0.00 58.87 57.16 1ps3 n SER 520 Cb 0.00 0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1ps3 n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ps3 s PHE 521 N -2.16 3.48 -0.68 7.33 5.36 -0.00 -5.04 117.98 126.26 1ps3 s PHE 521 Ca 0.10 1.22 -0.15 0.00 -0.96 0.00 0.00 56.93 57.14 1ps3 s PHE 521 Cb 0.12 -2.52 0.17 0.00 -0.34 0.00 0.00 43.02 40.46 1ps3 s PHE 521 CO 0.51 0.22 0.64 -1.12 -1.46 0.00 0.00 175.22 174.01 1ps3 s SER 522 N -2.04 6.47 0.20 6.13 0.01 -1.26 -4.89 113.70 118.32 1ps3 s SER 522 Ca 0.49 -2.21 0.01 0.00 1.31 0.00 0.00 55.95 55.55 1ps3 s SER 522 Cb -0.13 -2.22 0.13 0.00 0.21 0.00 0.00 66.02 64.02 1ps3 s SER 522 CO 0.19 -0.74 1.48 1.88 0.41 0.00 0.00 173.24 176.47 1ps3 h TYR 523 N 8.38 0.42 -3.80 2.43 -1.99 -1.94 -3.42 116.97 117.05 1ps3 h TYR 523 Ca -0.10 -0.18 -0.26 0.00 2.00 0.00 0.00 58.73 60.19 1ps3 h TYR 523 Cb 1.07 -0.07 -0.17 0.00 2.00 0.00 0.00 36.73 39.57 1ps3 h TYR 523 CO 0.88 0.90 -0.71 -0.06 -0.00 0.00 0.00 178.16 179.18 1ps3 s PHE 524 N -3.65 0.91 -0.06 4.88 0.40 -1.26 -0.09 117.98 119.11 1ps3 s PHE 524 Ca -0.05 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.56 1ps3 s PHE 524 Cb 0.11 -0.52 -0.01 0.00 0.51 0.00 0.00 43.02 43.12 1ps3 s PHE 524 CO 0.82 -0.09 -0.24 0.99 0.70 0.00 0.00 175.22 177.40 1ps3 s THR 525 N -2.97 1.95 0.32 0.64 2.01 -0.56 -4.88 115.64 112.16 1ps3 s THR 525 Ca 0.07 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 60.79 1ps3 s THR 525 Cb 0.01 -1.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.77 1ps3 s THR 525 CO -0.03 0.54 1.04 -0.76 -0.69 0.00 0.00 174.62 174.73 1ps3 s LEU 526 N -0.13 4.40 -0.17 4.42 1.43 -1.26 -1.09 118.68 126.27 1ps3 s LEU 526 Ca -0.04 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.17 1ps3 s LEU 526 Cb -0.13 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1ps3 s LEU 526 CO 0.03 -0.22 -0.18 -0.62 0.23 0.00 0.00 176.35 175.59 1ps3 s ASP 527 N -1.24 3.02 -0.20 2.29 2.15 -0.24 -4.88 116.67 117.56 1ps3 s ASP 527 Ca 0.49 -0.61 0.01 0.00 0.43 0.00 0.00 52.55 52.86 1ps3 s ASP 527 Cb -0.26 -1.39 0.05 0.00 -0.30 0.00 0.00 42.92 41.01 1ps3 s ASP 527 CO 0.33 -0.02 -0.08 -0.62 -0.17 0.00 0.00 175.17 174.61 1ps3 s ASP 528 N 1.34 3.44 0.19 -0.34 -1.08 -1.26 -4.20 116.67 114.77 1ps3 s ASP 528 Ca 0.05 -0.94 0.26 0.00 -0.52 0.00 0.00 52.55 51.40 1ps3 s ASP 528 Cb -0.13 -1.16 0.87 0.00 -1.46 0.00 0.00 42.92 41.04 1ps3 s ASP 528 CO -0.12 -0.18 1.78 -1.54 0.52 0.00 0.00 175.17 175.63 1ps3 n SER 529 N 4.71 0.71 -0.28 -0.34 3.41 -1.26 -3.92 113.62 116.65 1ps3 n SER 529 Ca -0.13 0.58 0.03 0.00 -0.26 0.00 0.00 58.87 59.08 1ps3 n SER 529 Cb 0.46 -0.77 0.06 0.00 -0.26 0.00 0.00 64.21 63.71 1ps3 n SER 529 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ps3 n ARG 530 N -2.18 2.45 -3.65 4.33 1.74 -1.26 -4.40 116.66 113.69 1ps3 n ARG 530 Ca 0.05 -1.61 -0.07 0.00 -0.77 0.00 0.00 57.85 55.45 1ps3 n ARG 530 Cb 0.39 -1.12 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 1ps3 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1ps3 s TRP 531 N -0.91 -0.97 0.32 -1.55 -0.11 -1.25 -4.09 118.94 110.37 1ps3 s TRP 531 Ca 0.10 1.94 0.37 0.00 1.22 0.00 0.00 56.10 59.73 1ps3 s TRP 531 Cb 0.05 0.56 1.87 0.00 -1.50 0.00 0.00 33.47 34.45 1ps3 s TRP 531 CO 0.07 -0.49 2.13 -1.35 -4.62 0.00 0.00 176.95 172.69 1ps3 h PRO 532 N 7.13 0.00 0.00 5.86 0.11 -1.86 -3.43 132.00 139.81 1ps3 h PRO 532 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ps3 h PRO 532 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ps3 h PRO 532 CO 0.19 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.39 1ps3 n GLY 533 N -0.68 2.50 3.69 -0.55 0.00 -1.26 -4.35 105.19 104.54 1ps3 n GLY 533 Ca -0.01 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1ps3 n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ps3 s SER 534 N 0.00 6.63 0.00 1.61 0.15 -1.26 -1.54 113.70 119.29 1ps3 s SER 534 Ca 0.00 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.09 1ps3 s SER 534 Cb 0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1ps3 s SER 534 CO 0.00 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.18 1ps3 n GLY 535 N 3.97 0.63 0.30 9.45 0.00 -1.26 -4.87 105.19 113.41 1ps3 n GLY 535 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1ps3 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ps3 n VAL 536 N -2.00 1.18 -3.66 1.61 0.31 -0.59 -4.99 118.33 110.19 1ps3 n VAL 536 Ca 0.00 -0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 63.93 1ps3 n VAL 536 Cb 0.00 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.16 1ps3 n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ps3 s GLU 537 N -2.40 0.57 -1.24 5.55 2.12 -1.00 -5.01 118.70 117.30 1ps3 s GLU 537 Ca -0.30 1.12 -0.14 0.00 0.36 0.00 0.00 54.97 56.02 1ps3 s GLU 537 Cb 0.11 0.22 0.15 0.00 0.26 0.00 0.00 34.13 34.87 1ps3 s GLU 537 CO 0.39 -0.17 1.55 -3.47 -0.54 0.00 0.00 175.26 173.02 1ps3 n ASP 538 N 4.56 5.14 -0.02 -1.70 2.03 -1.26 -4.50 116.55 120.80 1ps3 n ASP 538 Ca -0.19 -2.98 0.03 0.00 0.52 0.00 0.00 54.79 52.18 1ps3 n ASP 538 Cb 0.56 -1.59 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 1ps3 n ASP 538 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ps3 n SER 539 N 5.94 2.40 -4.77 1.67 3.41 -1.26 -5.01 113.62 116.00 1ps3 n SER 539 Ca 0.40 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.61 1ps3 n SER 539 Cb 0.43 1.35 -0.00 0.00 -0.26 0.00 0.00 64.21 65.72 1ps3 n SER 539 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ps3 s ARG 540 N -2.67 3.95 0.35 4.33 1.70 -1.26 -4.98 118.95 120.37 1ps3 s ARG 540 Ca -0.04 2.17 -0.17 0.00 -0.47 0.00 0.00 55.73 57.22 1ps3 s ARG 540 Cb 0.06 -2.75 -0.09 0.00 -0.57 0.00 0.00 34.95 31.60 1ps3 s ARG 540 CO 0.46 -0.51 0.80 0.95 -1.08 0.00 0.00 175.30 175.92 1ps3 s THR 541 N -1.26 4.59 -0.08 4.99 -4.23 -1.26 -5.06 115.64 113.33 1ps3 s THR 541 Ca 0.57 1.13 -0.13 0.00 -1.18 0.00 0.00 61.69 62.08 1ps3 s THR 541 Cb -0.38 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 69.78 1ps3 s THR 541 CO 0.49 -0.19 0.31 -0.89 -0.54 0.00 0.00 174.62 173.80 1ps3 s THR 542 N -2.00 5.23 -0.39 3.99 2.01 -1.26 -4.50 115.64 118.71 1ps3 s THR 542 Ca 0.56 0.61 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 1ps3 s THR 542 Cb -0.10 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.81 1ps3 s THR 542 CO 0.17 0.52 1.13 -0.63 -0.69 0.00 0.00 174.62 175.12 1ps3 s ILE 543 N -0.56 4.33 -0.40 1.82 1.01 0.11 -4.91 121.20 122.60 1ps3 s ILE 543 Ca 0.20 1.46 -0.20 0.00 0.00 0.00 0.00 60.65 62.10 1ps3 s ILE 543 Cb -0.14 -4.47 0.01 0.00 0.01 0.00 0.00 42.46 37.87 1ps3 s ILE 543 CO 0.08 -0.72 0.62 -0.63 0.00 0.00 0.00 174.94 174.30 1ps3 s ILE 544 N 4.12 4.87 0.07 2.92 1.01 -1.26 -1.49 121.20 131.43 1ps3 s ILE 544 Ca 0.48 0.28 0.10 0.00 0.00 0.00 0.00 60.65 61.51 1ps3 s ILE 544 Cb -0.10 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1ps3 s ILE 544 CO 0.24 -0.46 -0.26 -0.76 0.00 0.00 0.00 174.94 173.69 1ps3 s LEU 545 N 2.73 2.21 -0.24 2.97 1.43 -1.26 -4.74 118.68 121.78 1ps3 s LEU 545 Ca 0.23 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 1ps3 s LEU 545 Cb -0.14 -1.25 0.13 0.00 0.03 0.00 0.00 46.19 44.96 1ps3 s LEU 545 CO 0.17 0.23 1.05 -0.83 0.23 0.00 0.00 176.35 177.20 1ps3 s GLY 546 N -1.47 -0.16 0.37 -3.19 0.00 0.14 -4.79 107.32 98.22 1ps3 s GLY 546 Ca 0.12 2.50 0.10 0.00 0.00 0.00 0.00 44.72 47.44 1ps3 s GLY 546 CO 0.03 1.54 1.90 0.83 0.00 0.00 0.00 173.10 177.40 1ps3 h GLU 547 N 3.50 0.63 -0.67 2.90 5.08 -1.96 0.21 114.58 124.26 1ps3 h GLU 547 Ca -0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ps3 h GLU 547 Cb 1.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1ps3 h GLU 547 CO 0.19 0.42 0.00 -0.25 -1.00 0.00 0.00 179.01 178.37 1ps3 n ASP 548 N -4.52 3.92 0.00 1.42 8.00 -1.26 -4.60 116.55 119.50 1ps3 n ASP 548 Ca 0.15 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 53.15 1ps3 n ASP 548 Cb 0.42 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1ps3 n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ps3 n ILE 549 N 0.54 0.00 -3.28 0.53 0.13 -0.23 -5.12 119.36 111.93 1ps3 n ILE 549 Ca 0.18 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.87 1ps3 n ILE 549 Cb 0.80 -0.18 -0.02 0.00 -0.84 0.00 0.00 39.64 39.39 1ps3 n ILE 549 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1ps3 s LEU 550 N -4.35 -0.85 0.35 9.51 2.96 0.56 -4.91 118.68 121.96 1ps3 s LEU 550 Ca 0.00 0.76 0.19 0.00 -0.22 0.00 0.00 54.13 54.85 1ps3 s LEU 550 Cb 0.00 1.80 0.47 0.00 0.50 0.00 0.00 46.19 48.96 1ps3 s LEU 550 CO 0.00 -0.16 1.63 1.55 -1.32 0.00 0.00 176.35 178.05 1ps3 h PRO 551 N 7.86 0.00 -3.58 0.98 0.13 -1.88 0.42 132.00 135.93 1ps3 h PRO 551 Ca -0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.91 1ps3 h PRO 551 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1ps3 h PRO 551 CO 0.08 0.37 -0.10 -1.54 -0.23 0.00 0.00 178.00 176.58 1ps3 s SER 552 N -6.37 -0.11 -0.11 1.44 1.04 -1.26 -1.52 113.70 106.81 1ps3 s SER 552 Ca 0.02 -0.82 -0.08 0.00 0.48 0.00 0.00 55.95 55.55 1ps3 s SER 552 Cb 0.09 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.82 1ps3 s SER 552 CO 0.70 -1.10 0.28 -0.75 0.98 0.00 0.00 173.24 173.34 1ps3 s LYS 553 N -3.98 0.30 0.03 4.02 2.47 -0.10 -4.97 119.74 117.50 1ps3 s LYS 553 Ca 0.19 0.45 -0.19 0.00 -1.56 0.00 0.00 55.97 54.86 1ps3 s LYS 553 Cb -0.00 0.07 -0.06 0.00 -1.46 0.00 0.00 37.83 36.38 1ps3 s LYS 553 CO 0.06 -0.08 0.54 -1.01 0.16 0.00 0.00 175.35 175.02 1ps3 s HIS 554 N 0.52 3.74 0.08 4.03 3.76 -1.26 -0.94 115.29 125.22 1ps3 s HIS 554 Ca -0.03 1.18 0.06 0.00 -0.15 0.00 0.00 55.06 56.12 1ps3 s HIS 554 Cb -0.05 -2.50 -0.03 0.00 1.11 0.00 0.00 32.58 31.12 1ps3 s HIS 554 CO -0.03 0.50 -0.16 0.14 -0.85 0.00 0.00 174.74 174.34 1ps3 s VAL 555 N -0.72 1.29 -0.03 -0.90 -7.23 -0.23 -1.83 120.40 110.75 1ps3 s VAL 555 Ca 0.28 -1.40 0.03 0.00 -1.81 0.00 0.00 61.98 59.08 1ps3 s VAL 555 Cb -0.18 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1ps3 s VAL 555 CO 0.17 -0.20 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.97 1ps3 s VAL 556 N -1.32 0.87 -0.04 1.32 1.01 0.10 -0.96 120.40 121.38 1ps3 s VAL 556 Ca 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ps3 s VAL 556 Cb -0.10 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1ps3 s VAL 556 CO 0.03 0.27 -0.06 -0.04 0.00 0.00 0.00 175.10 175.30 1ps3 s MET 557 N 0.18 2.71 -0.03 2.72 -1.94 -0.51 -0.04 119.30 122.39 1ps3 s MET 557 Ca -0.03 -0.60 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 1ps3 s MET 557 Cb -0.09 -2.59 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 1ps3 s MET 557 CO 0.01 0.64 -0.20 -1.58 -0.01 0.00 0.00 175.02 173.88 1ps3 s HIS 558 N -0.90 2.51 -0.31 -0.03 5.04 0.52 -1.96 115.29 120.15 1ps3 s HIS 558 Ca 0.15 -0.30 0.02 0.00 -1.54 0.00 0.00 55.06 53.39 1ps3 s HIS 558 Cb -0.11 -1.55 0.09 0.00 0.04 0.00 0.00 32.58 31.05 1ps3 s HIS 558 CO 0.04 0.09 0.03 1.21 -2.34 0.00 0.00 174.74 173.77 1ps3 s ASN 559 N -0.74 4.47 0.27 9.88 2.47 -0.15 -0.98 114.94 130.16 1ps3 s ASN 559 Ca 0.11 -1.86 0.25 0.00 0.42 0.00 0.00 52.86 51.78 1ps3 s ASN 559 Cb -0.10 -1.40 0.96 0.00 -1.45 0.00 0.00 41.25 39.25 1ps3 s ASN 559 CO 0.00 -0.35 1.74 0.00 -3.72 0.00 0.00 177.10 174.77 1ps3 h THR 560 N 6.61 0.00 -3.85 -5.21 1.03 -1.86 -1.45 112.91 108.17 1ps3 h THR 560 Ca -0.09 -0.31 -0.48 0.00 -0.01 0.00 0.00 66.41 65.52 1ps3 h THR 560 Cb 1.03 1.12 -0.02 0.00 -1.07 0.00 0.00 68.15 69.21 1ps3 h THR 560 CO 0.49 0.00 0.36 -0.76 -0.01 0.00 0.00 175.52 175.60 1ps3 s LEU 561 N -4.62 4.42 0.00 0.00 1.43 -1.26 -4.50 118.68 114.16 1ps3 s LEU 561 Ca 0.05 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1ps3 s LEU 561 Cb 0.10 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1ps3 s LEU 561 CO 0.45 -0.03 1.17 -0.81 0.23 0.00 0.00 176.35 177.36 1ps3 n PRO 562 N 0.80 0.78 -3.71 1.29 -0.04 -1.26 -0.82 135.00 132.04 1ps3 n PRO 562 Ca 0.01 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 1ps3 n PRO 562 Cb 0.49 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.77 1ps3 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ps3 s HIS 563 N 0.33 -0.19 0.37 0.54 -3.43 -1.26 -0.59 115.29 111.06 1ps3 s HIS 563 Ca 0.00 0.13 -0.27 0.00 -0.80 0.00 0.00 55.06 54.12 1ps3 s HIS 563 Cb 0.00 0.16 -0.11 0.00 -1.43 0.00 0.00 32.58 31.19 1ps3 s HIS 563 CO 0.00 -0.53 1.35 0.91 -2.00 0.00 0.00 174.74 174.47 1ps3 n TRP 564 N 0.61 2.48 -3.84 0.38 7.02 -1.26 -4.06 117.44 118.77 1ps3 n TRP 564 Ca -0.19 0.51 -0.13 0.00 -1.02 0.00 0.00 57.50 56.68 1ps3 n TRP 564 Cb 0.59 -2.44 -0.14 0.00 -2.42 0.00 0.00 31.31 26.90 1ps3 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1ps3 s ARG 565 N -2.03 0.06 0.05 -0.99 3.52 -0.64 -4.96 118.95 113.97 1ps3 s ARG 565 Ca 0.56 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 56.34 1ps3 s ARG 565 Cb -0.53 -0.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.82 1ps3 s ARG 565 CO 0.62 -0.03 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.72 1ps3 s GLU 566 N 0.20 2.15 -0.25 5.12 2.02 -1.26 -0.88 118.70 125.81 1ps3 s GLU 566 Ca -0.01 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 53.76 1ps3 s GLU 566 Cb -0.02 -2.27 0.12 0.00 0.10 0.00 0.00 34.13 32.06 1ps3 s GLU 566 CO -0.01 0.54 1.00 -1.14 0.02 0.00 0.00 175.26 175.67 1ps3 s GLN 567 N -1.68 0.56 0.26 1.61 0.74 -0.96 -4.97 119.66 115.22 1ps3 s GLN 567 Ca 0.17 0.52 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 1ps3 s GLN 567 Cb -0.11 0.27 -0.09 0.00 1.10 0.00 0.00 33.01 34.18 1ps3 s GLN 567 CO 0.08 -0.10 1.15 -0.51 -0.55 0.00 0.00 175.29 175.36 1ps3 s LEU 568 N -0.08 4.51 0.10 3.68 1.43 -1.26 -1.25 118.68 125.80 1ps3 s LEU 568 Ca 0.02 2.30 0.06 0.00 -1.03 0.00 0.00 54.13 55.47 1ps3 s LEU 568 Cb -0.04 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1ps3 s LEU 568 CO -0.04 -0.25 -0.16 0.68 0.23 0.00 0.00 176.35 176.82 1ps3 s VAL 569 N -0.82 1.33 0.08 -1.59 -7.23 -0.24 -4.92 120.40 107.01 1ps3 s VAL 569 Ca 0.47 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 1ps3 s VAL 569 Cb -0.33 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1ps3 s VAL 569 CO 0.41 -0.25 -0.13 1.51 -0.31 0.00 0.00 175.10 176.34 1ps3 s ASP 570 N -2.02 1.57 0.03 4.85 -4.77 -1.26 -2.14 116.67 112.93 1ps3 s ASP 570 Ca 0.04 -0.67 0.00 0.00 -3.30 0.00 0.00 52.55 48.62 1ps3 s ASP 570 Cb -0.08 -0.03 -0.02 0.00 -1.09 0.00 0.00 42.92 41.69 1ps3 s ASP 570 CO 0.03 -0.13 -0.03 -0.36 0.70 0.00 0.00 175.17 175.37 1ps3 s PHE 571 N -1.60 0.36 -0.05 2.11 0.40 -0.77 -4.92 117.98 113.51 1ps3 s PHE 571 Ca -0.00 -0.64 -0.20 0.00 -0.60 0.00 0.00 56.93 55.48 1ps3 s PHE 571 Cb -0.08 -0.25 -0.05 0.00 0.51 0.00 0.00 43.02 43.15 1ps3 s PHE 571 CO 0.02 -0.22 0.56 0.71 0.70 0.00 0.00 175.22 176.99 1ps3 s TYR 572 N -1.99 3.61 0.10 0.36 2.02 -1.26 -1.26 117.35 118.93 1ps3 s TYR 572 Ca -0.10 1.09 0.06 0.00 -0.37 0.00 0.00 57.07 57.75 1ps3 s TYR 572 Cb -0.06 -2.61 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 1ps3 s TYR 572 CO -0.03 0.26 -0.16 0.14 -1.57 0.00 0.00 175.55 174.19 1ps3 s VAL 573 N 0.22 1.34 -2.01 0.71 -7.23 0.10 0.04 120.40 113.58 1ps3 s VAL 573 Ca 0.30 -1.54 0.30 0.00 -1.81 0.00 0.00 61.98 59.23 1ps3 s VAL 573 Cb -0.17 -1.38 0.85 0.00 0.56 0.00 0.00 36.38 36.25 1ps3 s VAL 573 CO 0.15 -0.27 2.15 -1.54 -0.31 0.00 0.00 175.10 175.28 1ps3 n SER 574 N 0.91 0.03 -3.82 4.85 3.41 -0.56 -0.62 113.62 117.82 1ps3 n SER 574 Ca -0.18 -1.06 -0.12 0.00 -0.26 0.00 0.00 58.87 57.24 1ps3 n SER 574 Cb 0.55 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1ps3 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ps3 s SER 575 N -1.95 -0.12 0.22 4.04 0.15 -1.26 -4.70 113.70 110.08 1ps3 s SER 575 Ca 0.45 0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.48 1ps3 s SER 575 Cb 0.21 0.33 0.72 0.00 -1.71 0.00 0.00 66.02 65.57 1ps3 s SER 575 CO 0.35 -0.26 1.71 1.55 1.20 0.00 0.00 173.24 177.79 1ps3 h PRO 576 N 4.83 0.00 -3.59 5.44 0.13 -1.91 -3.39 132.00 133.52 1ps3 h PRO 576 Ca -0.28 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.07 1ps3 h PRO 576 Cb 1.19 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.12 1ps3 h PRO 576 CO 0.39 0.00 1.42 1.19 -0.23 0.00 0.00 178.00 180.77 1ps3 n PHE 577 N -2.33 3.37 -4.75 1.56 0.99 -1.26 -4.94 117.46 110.10 1ps3 n PHE 577 Ca 0.05 -2.95 -0.24 0.00 -0.00 0.00 0.00 57.45 54.31 1ps3 n PHE 577 Cb 0.44 -1.79 -0.15 0.00 -1.00 0.00 0.00 39.48 36.98 1ps3 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1ps3 s VAL 578 N -0.40 1.27 0.18 -4.37 1.01 -1.26 -1.20 120.40 115.62 1ps3 s VAL 578 Ca 0.37 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1ps3 s VAL 578 Cb 0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1ps3 s VAL 578 CO 0.02 0.36 -0.22 -0.94 0.00 0.00 0.00 175.10 174.33 1ps3 s SER 579 N -0.25 3.09 0.05 3.32 1.04 -0.23 -4.81 113.70 115.91 1ps3 s SER 579 Ca 0.03 -0.85 0.08 0.00 0.48 0.00 0.00 55.95 55.69 1ps3 s SER 579 Cb -0.07 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 1ps3 s SER 579 CO 0.00 0.06 -0.21 -0.69 0.98 0.00 0.00 173.24 173.38 1ps3 s VAL 580 N -1.78 2.57 0.07 5.02 1.01 -1.26 -1.44 120.40 124.58 1ps3 s VAL 580 Ca 0.18 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1ps3 s VAL 580 Cb -0.07 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1ps3 s VAL 580 CO 0.08 0.32 0.11 0.42 0.00 0.00 0.00 175.10 176.03 1ps3 s THR 581 N -0.91 0.17 0.42 3.92 -4.23 -0.86 -0.29 115.64 113.85 1ps3 s THR 581 Ca 0.14 -1.37 -0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1ps3 s THR 581 Cb -0.10 -1.34 0.08 0.00 1.34 0.00 0.00 72.50 72.48 1ps3 s THR 581 CO 0.05 -0.75 0.58 -0.90 -0.54 0.00 0.00 174.62 173.05 1ps3 n ASP 582 N 0.10 0.79 0.24 3.99 3.85 -0.74 -0.73 116.55 124.04 1ps3 n ASP 582 Ca -0.15 -1.66 0.16 0.00 -0.71 0.00 0.00 54.79 52.42 1ps3 n ASP 582 Cb 0.61 -0.37 0.68 0.00 -1.35 0.00 0.00 41.12 40.69 1ps3 n ASP 582 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1ps3 h LEU 583 N 0.00 0.00 -1.56 -2.12 5.85 -1.86 -1.41 115.31 114.21 1ps3 h LEU 583 Ca -0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ps3 h LEU 583 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1ps3 h LEU 583 CO 0.21 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 1ps3 n ALA 584 N -1.98 2.65 -1.96 1.25 0.00 -1.26 -4.89 120.51 114.32 1ps3 n ALA 584 Ca 0.01 -0.70 -0.18 0.00 0.00 0.00 0.00 53.44 52.56 1ps3 n ALA 584 Cb 0.25 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 1ps3 n ALA 584 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ps3 n ASN 585 N 0.47 -5.25 -4.72 0.00 2.85 -0.53 -4.98 115.26 103.10 1ps3 n ASN 585 Ca 0.12 0.20 -0.41 0.00 -0.11 0.00 0.00 54.58 54.39 1ps3 n ASN 585 Cb 0.41 -4.33 -0.04 0.00 1.24 0.00 0.00 39.78 37.06 1ps3 n ASN 585 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1ps3 s ASN 586 N -2.48 7.37 0.53 1.20 0.01 -1.26 -4.81 114.94 115.51 1ps3 s ASN 586 Ca 0.00 1.65 -0.20 0.00 -0.71 0.00 0.00 52.86 53.60 1ps3 s ASN 586 Cb 0.00 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.05 1ps3 s ASN 586 CO 0.00 -0.12 1.16 -2.16 -1.51 0.00 0.00 177.10 174.48 1ps3 s PRO 587 N 0.37 3.36 -0.09 -0.60 0.04 -1.26 -1.80 135.00 135.03 1ps3 s PRO 587 Ca 0.46 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1ps3 s PRO 587 Cb -0.22 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1ps3 s PRO 587 CO 0.27 -0.86 -0.20 0.08 0.04 0.00 0.00 177.00 176.33 1ps3 s VAL 588 N -1.66 1.72 0.19 -0.36 1.01 0.60 -4.87 120.40 117.02 1ps3 s VAL 588 Ca 0.72 -0.82 -0.32 0.00 0.00 0.00 0.00 61.98 61.56 1ps3 s VAL 588 Cb -0.27 -1.51 -0.11 0.00 0.00 0.00 0.00 36.38 34.49 1ps3 s VAL 588 CO 0.31 0.48 1.72 -0.70 0.00 0.00 0.00 175.10 176.91 1ps3 s GLU 589 N 0.45 4.14 0.13 2.72 2.12 -1.26 -4.23 118.70 122.76 1ps3 s GLU 589 Ca -0.17 2.57 0.04 0.00 0.36 0.00 0.00 54.97 57.77 1ps3 s GLU 589 Cb -0.17 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1ps3 s GLU 589 CO 0.07 -0.75 -0.10 0.00 -0.54 0.00 0.00 175.26 173.94 1ps3 s ALA 590 N 1.40 1.32 -0.05 6.30 0.00 0.06 -4.32 121.76 126.48 1ps3 s ALA 590 Ca 0.75 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1ps3 s ALA 590 Cb -0.48 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1ps3 s ALA 590 CO 0.32 -0.08 -0.11 -1.14 0.00 0.00 0.00 175.76 174.76 1ps3 s GLN 591 N -3.41 1.41 -0.09 0.00 0.74 0.38 -0.75 119.66 117.93 1ps3 s GLN 591 Ca 0.13 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.17 1ps3 s GLN 591 Cb 0.01 -1.22 -0.03 0.00 1.10 0.00 0.00 33.01 32.87 1ps3 s GLN 591 CO 0.00 0.07 -0.09 0.08 -0.55 0.00 0.00 175.29 174.80 1ps3 s VAL 592 N 0.49 3.50 0.19 1.34 1.01 -0.06 0.21 120.40 127.09 1ps3 s VAL 592 Ca -0.10 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1ps3 s VAL 592 Cb -0.13 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1ps3 s VAL 592 CO 0.02 0.56 0.00 -0.44 0.00 0.00 0.00 175.10 175.25 1ps3 s SER 593 N -0.35 1.38 0.89 3.32 0.01 -0.20 -2.03 113.70 116.71 1ps3 s SER 593 Ca 0.05 -1.20 -0.12 0.00 1.31 0.00 0.00 55.95 55.99 1ps3 s SER 593 Cb -0.12 0.09 0.13 0.00 0.21 0.00 0.00 66.02 66.32 1ps3 s SER 593 CO 0.02 -0.56 1.13 -2.84 0.41 0.00 0.00 173.24 171.41 1ps3 s PRO 594 N -3.91 1.31 -0.38 12.44 0.02 -1.26 -1.04 135.00 142.18 1ps3 s PRO 594 Ca 0.26 0.34 -0.11 0.00 0.02 0.00 0.00 61.00 61.50 1ps3 s PRO 594 Cb 0.06 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.75 1ps3 s PRO 594 CO 0.06 -2.09 0.22 0.08 -0.33 0.00 0.00 177.00 174.93 1ps3 s VAL 595 N -3.27 4.65 -0.17 3.83 1.01 -1.26 -4.48 120.40 120.72 1ps3 s VAL 595 Ca 0.63 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1ps3 s VAL 595 Cb -0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1ps3 s VAL 595 CO 0.53 -0.24 0.07 0.26 0.00 0.00 0.00 175.10 175.72 1ps3 s TRP 596 N 1.57 3.31 -0.03 5.22 0.52 -1.26 -1.56 118.94 126.71 1ps3 s TRP 596 Ca 0.02 0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.36 1ps3 s TRP 596 Cb -0.19 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.08 1ps3 s TRP 596 CO 0.07 0.28 -0.15 -1.54 0.02 0.00 0.00 176.95 175.63 1ps3 s SER 597 N 0.06 1.84 0.08 2.95 1.04 -0.36 -4.95 113.70 114.36 1ps3 s SER 597 Ca 0.06 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.11 1ps3 s SER 597 Cb -0.12 -0.37 -0.06 0.00 0.10 0.00 0.00 66.02 65.57 1ps3 s SER 597 CO 0.00 0.15 0.39 0.26 0.98 0.00 0.00 173.24 175.03 1ps3 s TRP 598 N -0.11 3.57 -0.02 5.02 0.52 -1.26 -0.29 118.94 126.37 1ps3 s TRP 598 Ca 0.01 0.76 0.00 0.00 0.02 0.00 0.00 56.10 56.89 1ps3 s TRP 598 Cb -0.09 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.11 1ps3 s TRP 598 CO 0.01 0.52 0.00 -1.01 0.02 0.00 0.00 176.95 176.48 1ps3 s HIS 599 N -1.41 0.18 -0.57 -1.98 3.76 -0.63 -4.97 115.29 109.66 1ps3 s HIS 599 Ca 0.33 0.02 -0.28 0.00 -0.15 0.00 0.00 55.06 54.98 1ps3 s HIS 599 Cb -0.14 -0.25 0.03 0.00 1.11 0.00 0.00 32.58 33.33 1ps3 s HIS 599 CO 0.18 -0.07 1.21 -1.58 -0.85 0.00 0.00 174.74 173.63 1ps3 s HIS 600 N 0.65 2.59 -0.57 1.40 2.46 -1.26 -2.68 115.29 117.88 1ps3 s HIS 600 Ca -0.06 0.44 -0.27 0.00 0.47 0.00 0.00 55.06 55.64 1ps3 s HIS 600 Cb -0.09 -4.50 -0.00 0.00 -0.13 0.00 0.00 32.58 27.86 1ps3 s HIS 600 CO -0.01 -1.60 1.62 0.34 -2.47 0.00 0.00 174.74 172.61 1ps3 s ASP 601 N 3.04 5.78 0.45 9.88 -1.08 0.11 -4.87 116.67 129.98 1ps3 s ASP 601 Ca 0.44 0.37 0.13 0.00 -0.52 0.00 0.00 52.55 52.96 1ps3 s ASP 601 Cb -0.08 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.88 1ps3 s ASP 601 CO 0.26 -1.97 2.04 0.74 0.52 0.00 0.00 175.17 176.75 1ps3 h THR 602 N 6.59 0.98 0.04 1.71 2.02 -1.92 0.20 112.91 122.52 1ps3 h THR 602 Ca -0.27 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1ps3 h THR 602 Cb 1.12 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1ps3 h THR 602 CO 1.18 0.07 -0.02 -0.07 0.37 0.00 0.00 175.52 177.05 1ps3 h LEU 603 N 0.37 -0.04 -1.46 2.58 -0.00 -1.96 -3.36 115.31 111.44 1ps3 h LEU 603 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1ps3 h LEU 603 Cb 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1ps3 h LEU 603 CO -0.04 0.03 0.00 0.71 -0.00 0.00 0.00 178.44 179.13 1ps3 h THR 604 N -0.17 0.00 -4.58 0.22 1.35 -1.99 -3.46 112.91 104.29 1ps3 h THR 604 Ca -0.01 -0.28 -0.28 0.00 -0.55 0.00 0.00 66.41 65.30 1ps3 h THR 604 Cb 0.04 1.13 0.11 0.00 -1.73 0.00 0.00 68.15 67.69 1ps3 h THR 604 CO 0.01 0.00 -0.51 0.29 -0.25 0.00 0.00 175.52 175.06 1ps3 n LYS 605 N -2.71 -5.63 -4.15 4.72 4.76 0.68 -5.03 118.16 110.81 1ps3 n LYS 605 Ca 0.00 0.61 -0.10 0.00 -2.87 0.00 0.00 58.31 55.95 1ps3 n LYS 605 Cb 0.21 -4.98 -0.10 0.00 -1.84 0.00 0.00 35.03 28.32 1ps3 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ps3 s THR 606 N -3.24 0.61 -0.31 -0.18 -4.23 -1.19 -4.97 115.64 102.14 1ps3 s THR 606 Ca 0.33 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1ps3 s THR 606 Cb -0.15 -1.55 0.03 0.00 1.34 0.00 0.00 72.50 72.17 1ps3 s THR 606 CO 0.53 -0.85 0.05 -0.63 -0.54 0.00 0.00 174.62 173.19 1ps3 s ILE 607 N -3.46 3.56 0.07 2.99 1.01 -1.26 0.06 121.20 124.17 1ps3 s ILE 607 Ca 0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1ps3 s ILE 607 Cb 0.04 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1ps3 s ILE 607 CO -0.05 -0.03 -0.02 -1.38 0.00 0.00 0.00 174.94 173.45 1ps3 s HIS 608 N 1.39 0.63 0.28 3.97 -3.43 -1.09 -4.25 115.29 112.79 1ps3 s HIS 608 Ca -0.01 -1.07 -0.10 0.00 -0.80 0.00 0.00 55.06 53.08 1ps3 s HIS 608 Cb -0.18 -0.42 -0.07 0.00 -1.43 0.00 0.00 32.58 30.47 1ps3 s HIS 608 CO 0.01 -0.36 0.62 -1.25 -2.00 0.00 0.00 174.74 171.76 1ps3 s PRO 609 N -3.92 3.83 -0.03 -0.38 0.04 -1.26 -1.61 135.00 131.66 1ps3 s PRO 609 Ca 0.10 0.36 0.06 0.00 0.04 0.00 0.00 61.00 61.56 1ps3 s PRO 609 Cb 0.08 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1ps3 s PRO 609 CO -0.08 0.22 -0.20 -0.65 0.04 0.00 0.00 177.00 176.33 1ps3 s GLN 610 N -3.09 1.77 0.07 4.56 -0.21 0.61 -4.95 119.66 118.42 1ps3 s GLN 610 Ca 0.49 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 55.16 1ps3 s GLN 610 Cb -0.11 -1.64 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 1ps3 s GLN 610 CO 0.23 0.39 0.16 0.20 -2.12 0.00 0.00 175.29 174.14 1ps3 s GLY 611 N -0.33 2.11 0.36 3.09 0.00 -1.26 -1.23 107.32 110.07 1ps3 s GLY 611 Ca 0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 44.72 43.61 1ps3 s GLY 611 CO 0.00 -0.90 0.93 -0.45 0.00 0.00 0.00 173.10 172.68 1ps3 s SER 612 N -2.48 7.13 0.00 1.64 0.15 -0.60 -4.92 113.70 114.62 1ps3 s SER 612 Ca 0.33 1.73 0.10 0.00 0.70 0.00 0.00 55.95 58.80 1ps3 s SER 612 Cb -0.13 -2.54 0.25 0.00 -1.71 0.00 0.00 66.02 61.89 1ps3 s SER 612 CO 0.26 -0.19 1.17 0.35 1.20 0.00 0.00 173.24 176.03 1ps3 n THR 613 N 0.02 0.85 -1.29 6.45 -2.24 -1.26 -4.53 114.28 112.28 1ps3 n THR 613 Ca 0.04 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1ps3 n THR 613 Cb 0.52 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1ps3 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ps3 n THR 614 N 0.45 0.00 -3.94 4.28 -2.24 -1.26 -4.32 114.28 107.25 1ps3 n THR 614 Ca 0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1ps3 n THR 614 Cb 0.39 0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 69.43 1ps3 n THR 614 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ps3 s LYS 615 N 0.00 0.22 0.10 -0.78 2.20 -1.26 -4.51 119.74 115.71 1ps3 s LYS 615 Ca 0.00 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1ps3 s LYS 615 Cb 0.00 -0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 1ps3 s LYS 615 CO 0.00 -0.06 -0.07 0.71 -0.36 0.00 0.00 175.35 175.57 1ps3 s TYR 616 N 0.58 0.90 -0.19 4.03 1.51 0.21 -3.98 117.35 120.40 1ps3 s TYR 616 Ca -0.05 -0.88 -0.07 0.00 -1.01 0.00 0.00 57.07 55.05 1ps3 s TYR 616 Cb -0.08 -0.52 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1ps3 s TYR 616 CO -0.01 -0.13 0.06 1.03 -1.11 0.00 0.00 175.55 175.39 1ps3 s ARG 617 N -3.69 3.93 -0.10 -0.62 0.52 -0.21 0.01 118.95 118.79 1ps3 s ARG 617 Ca 0.11 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.96 1ps3 s ARG 617 Cb 0.04 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1ps3 s ARG 617 CO -0.04 0.22 -0.10 -1.50 0.02 0.00 0.00 175.30 173.89 1ps3 s ILE 618 N 0.51 3.34 -0.03 1.52 2.07 -0.39 -1.04 121.20 127.19 1ps3 s ILE 618 Ca 0.03 -0.59 0.05 0.00 -1.41 0.00 0.00 60.65 58.73 1ps3 s ILE 618 Cb -0.13 -2.38 -0.01 0.00 0.13 0.00 0.00 42.46 40.07 1ps3 s ILE 618 CO 0.01 0.55 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.78 1ps3 s ILE 619 N -0.20 1.46 0.14 2.00 1.01 0.13 -1.85 121.20 123.89 1ps3 s ILE 619 Ca 0.01 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 1ps3 s ILE 619 Cb -0.13 -1.23 0.05 0.00 0.01 0.00 0.00 42.46 41.16 1ps3 s ILE 619 CO 0.03 0.42 0.51 0.72 0.00 0.00 0.00 174.94 176.61 1ps3 s PHE 620 N -0.25 -0.39 -0.12 3.97 -0.12 -0.91 -0.47 117.98 119.69 1ps3 s PHE 620 Ca 0.03 0.14 -0.23 0.00 -0.05 0.00 0.00 56.93 56.81 1ps3 s PHE 620 Cb -0.09 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1ps3 s PHE 620 CO 0.00 -0.78 0.71 0.21 -0.05 0.00 0.00 175.22 175.31 1ps3 s LYS 621 N -3.75 4.35 -0.16 1.99 2.20 -1.26 -1.07 119.74 122.03 1ps3 s LYS 621 Ca 0.02 0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 56.41 1ps3 s LYS 621 Cb 0.00 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1ps3 s LYS 621 CO -0.12 -0.10 0.03 0.00 -0.36 0.00 0.00 175.35 174.79 1ps3 s ALA 622 N 1.38 3.29 -0.28 3.13 0.00 -0.38 -4.92 121.76 123.97 1ps3 s ALA 622 Ca 0.35 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 1ps3 s ALA 622 Cb -0.17 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1ps3 s ALA 622 CO 0.15 0.26 0.06 0.50 0.00 0.00 0.00 175.76 176.72 1ps3 s ARG 623 N 0.15 3.18 -0.03 0.00 3.52 -1.26 -2.26 118.95 122.24 1ps3 s ARG 623 Ca 0.03 -0.79 0.06 0.00 -0.13 0.00 0.00 55.73 54.90 1ps3 s ARG 623 Cb -0.13 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1ps3 s ARG 623 CO 0.01 -0.38 -0.23 0.08 -0.81 0.00 0.00 175.30 173.97 1ps3 s VAL 624 N 1.50 1.85 0.97 7.11 1.01 -0.06 -4.79 120.40 128.00 1ps3 s VAL 624 Ca 0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1ps3 s VAL 624 Cb -0.17 -1.55 0.17 0.00 0.00 0.00 0.00 36.38 34.84 1ps3 s VAL 624 CO 0.02 0.52 1.09 -2.84 0.00 0.00 0.00 175.10 173.89 1ps3 s PRO 625 N -0.34 0.61 0.26 2.72 0.02 -1.26 -1.61 135.00 135.39 1ps3 s PRO 625 Ca 0.03 1.12 -0.31 0.00 0.02 0.00 0.00 61.00 61.86 1ps3 s PRO 625 Cb -0.11 -1.71 -0.11 0.00 0.02 0.00 0.00 34.50 32.59 1ps3 s PRO 625 CO 0.01 -2.77 1.61 -2.14 -0.33 0.00 0.00 177.00 173.37 1ps3 s PRO 626 N -4.69 4.15 -1.65 5.54 0.02 -1.26 -2.04 135.00 135.07 1ps3 s PRO 626 Ca 0.66 2.54 -0.10 0.00 0.02 0.00 0.00 61.00 64.11 1ps3 s PRO 626 Cb -0.22 -3.06 0.10 0.00 0.02 0.00 0.00 34.50 31.34 1ps3 s PRO 626 CO 0.59 -0.64 0.39 -1.33 -0.33 0.00 0.00 177.00 175.69 1ps3 n MET 627 N 2.79 -1.70 -0.58 5.54 2.81 -0.00 -4.78 117.12 121.19 1ps3 n MET 627 Ca 0.10 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1ps3 n MET 627 Cb 0.37 -4.35 0.00 0.00 -0.71 0.00 0.00 33.22 28.53 1ps3 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ps3 n GLY 628 N -1.83 5.03 3.13 3.03 0.00 -0.86 -4.84 105.19 108.84 1ps3 n GLY 628 Ca -0.13 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 1ps3 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ps3 s LEU 629 N 0.00 2.29 -0.02 0.99 1.43 -0.55 -0.98 118.68 121.84 1ps3 s LEU 629 Ca 0.00 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1ps3 s LEU 629 Cb 0.00 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.91 1ps3 s LEU 629 CO 0.00 -0.16 0.04 0.00 0.23 0.00 0.00 176.35 176.47 1ps3 s ALA 630 N -1.49 -0.01 -0.11 4.21 0.00 -0.83 -1.39 121.76 122.14 1ps3 s ALA 630 Ca -0.04 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 1ps3 s ALA 630 Cb -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1ps3 s ALA 630 CO 0.01 -0.08 0.05 0.99 0.00 0.00 0.00 175.76 176.73 1ps3 s THR 631 N 0.75 4.71 0.18 0.00 2.01 -0.20 -1.43 115.64 121.67 1ps3 s THR 631 Ca -0.06 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1ps3 s THR 631 Cb -0.09 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 1ps3 s THR 631 CO -0.02 0.58 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.11 1ps3 s TYR 632 N -0.68 1.38 -0.05 4.92 1.51 -0.14 -3.22 117.35 121.07 1ps3 s TYR 632 Ca 0.12 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.41 1ps3 s TYR 632 Cb -0.12 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1ps3 s TYR 632 CO 0.02 0.05 -0.15 0.08 -1.11 0.00 0.00 175.55 174.45 1ps3 s VAL 633 N -3.34 1.28 -0.22 0.71 1.01 0.09 -1.06 120.40 118.87 1ps3 s VAL 633 Ca 0.21 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1ps3 s VAL 633 Cb 0.03 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1ps3 s VAL 633 CO 0.03 0.38 0.00 -0.76 0.00 0.00 0.00 175.10 174.76 1ps3 s LEU 634 N 0.18 3.18 -0.03 3.92 1.43 -0.11 -2.03 118.68 125.23 1ps3 s LEU 634 Ca -0.06 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1ps3 s LEU 634 Cb -0.12 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1ps3 s LEU 634 CO 0.02 0.01 -0.23 -0.89 0.23 0.00 0.00 176.35 175.50 1ps3 s THR 635 N 1.31 1.84 0.23 5.49 2.01 -0.52 -0.92 115.64 125.09 1ps3 s THR 635 Ca 0.04 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 1ps3 s THR 635 Cb -0.15 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.75 1ps3 s THR 635 CO 0.01 0.52 0.55 -0.51 -0.69 0.00 0.00 174.62 174.50 1ps3 s ILE 636 N -0.37 4.93 0.17 1.82 2.07 -0.58 -1.07 121.20 128.17 1ps3 s ILE 636 Ca 0.04 0.46 -0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1ps3 s ILE 636 Cb -0.11 -3.62 -0.04 0.00 0.13 0.00 0.00 42.46 38.82 1ps3 s ILE 636 CO 0.01 -0.09 0.08 -0.94 -1.91 0.00 0.00 174.94 172.09 1ps3 s SER 637 N -2.40 0.45 0.38 4.50 1.04 -0.34 -4.97 113.70 112.36 1ps3 s SER 637 Ca 0.47 -1.28 0.23 0.00 0.48 0.00 0.00 55.95 55.86 1ps3 s SER 637 Cb -0.11 0.29 0.31 0.00 0.10 0.00 0.00 66.02 66.60 1ps3 s SER 637 CO 0.22 -0.74 1.52 -2.24 0.98 0.00 0.00 173.24 172.97 1ps3 h ASP 638 N 2.73 0.00 -4.54 7.02 3.04 -1.99 -3.43 116.42 119.24 1ps3 h ASP 638 Ca -0.36 -0.00 -0.44 0.00 -3.24 0.00 0.00 57.03 52.99 1ps3 h ASP 638 Cb 1.22 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 39.37 1ps3 h ASP 638 CO 0.58 0.00 -0.55 -0.94 -2.04 0.00 0.00 179.24 176.29 1ps3 s SER 639 N -5.93 1.72 -0.09 4.15 1.04 -1.26 -5.02 113.70 108.32 1ps3 s SER 639 Ca 0.06 -1.57 -0.34 0.00 0.48 0.00 0.00 55.95 54.58 1ps3 s SER 639 Cb 0.06 0.39 -0.11 0.00 0.10 0.00 0.00 66.02 66.46 1ps3 s SER 639 CO 0.69 -0.89 1.91 0.29 0.98 0.00 0.00 173.24 176.22 1ps3 n LYS 640 N -0.63 2.23 -2.10 4.02 5.02 -1.26 -4.83 118.16 120.61 1ps3 n LYS 640 Ca 0.00 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.77 1ps3 n LYS 640 Cb 0.65 -2.70 0.01 0.00 -0.02 0.00 0.00 35.03 32.97 1ps3 n LYS 640 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ps3 s PRO 641 N 4.26 3.30 0.24 1.97 0.04 -1.26 -4.96 135.00 138.59 1ps3 s PRO 641 Ca 0.93 1.32 -0.05 0.00 0.04 0.00 0.00 61.00 63.24 1ps3 s PRO 641 Cb -0.66 -2.02 0.39 0.00 0.04 0.00 0.00 34.50 32.25 1ps3 s PRO 641 CO 0.50 -0.84 1.80 1.49 0.04 0.00 0.00 177.00 179.99 1ps3 h GLU 642 N 0.65 0.71 -0.80 4.56 4.81 -1.98 -2.96 114.58 119.56 1ps3 h GLU 642 Ca -0.48 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 58.53 1ps3 h GLU 642 Cb 1.23 -0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.34 1ps3 h GLU 642 CO 0.57 0.47 0.23 0.72 -0.73 0.00 0.00 179.01 180.27 1ps3 n HIS 643 N -4.78 2.12 -4.23 0.92 8.25 -1.26 -4.85 115.22 111.37 1ps3 n HIS 643 Ca 0.13 -1.04 -0.26 0.00 -0.26 0.00 0.00 57.72 56.29 1ps3 n HIS 643 Cb 0.29 -0.62 -0.17 0.00 1.12 0.00 0.00 29.99 30.62 1ps3 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ps3 s THR 644 N -2.61 1.15 0.36 1.59 2.01 -1.12 -0.76 115.64 116.25 1ps3 s THR 644 Ca 0.47 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1ps3 s THR 644 Cb 0.37 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1ps3 s THR 644 CO 0.12 0.37 0.36 -0.94 -0.69 0.00 0.00 174.62 173.84 1ps3 s SER 645 N 1.21 5.35 -0.07 3.53 1.04 0.07 -4.66 113.70 120.16 1ps3 s SER 645 Ca -0.04 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.92 1ps3 s SER 645 Cb -0.14 -0.89 0.01 0.00 0.10 0.00 0.00 66.02 65.09 1ps3 s SER 645 CO -0.03 -0.46 -0.17 -0.31 0.98 0.00 0.00 173.24 173.25 1ps3 s TYR 646 N -2.33 1.87 0.54 5.02 1.51 -1.26 -0.88 117.35 121.82 1ps3 s TYR 646 Ca 0.44 -0.69 -0.19 0.00 -1.01 0.00 0.00 57.07 55.62 1ps3 s TYR 646 Cb -0.06 -1.30 -0.06 0.00 -0.11 0.00 0.00 41.96 40.43 1ps3 s TYR 646 CO 0.28 -0.30 1.11 0.00 -1.11 0.00 0.00 175.55 175.53 1ps3 s ALA 647 N 0.43 2.72 0.32 3.71 0.00 -0.86 -4.93 121.76 123.14 1ps3 s ALA 647 Ca -0.14 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1ps3 s ALA 647 Cb -0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1ps3 s ALA 647 CO 0.05 -0.71 0.54 -1.54 0.00 0.00 0.00 175.76 174.09 1ps3 s SER 648 N -1.93 6.33 -0.02 0.00 1.04 0.26 -4.86 113.70 114.53 1ps3 s SER 648 Ca 0.71 0.51 0.01 0.00 0.48 0.00 0.00 55.95 57.66 1ps3 s SER 648 Cb -0.22 -2.06 0.01 0.00 0.10 0.00 0.00 66.02 63.86 1ps3 s SER 648 CO 0.27 -0.25 -0.03 0.20 0.98 0.00 0.00 173.24 174.40 1ps3 s ASN 649 N -3.76 0.62 -0.13 7.02 0.01 -1.26 -1.06 114.94 116.38 1ps3 s ASN 649 Ca 0.41 -0.08 -0.00 0.00 -0.71 0.00 0.00 52.86 52.47 1ps3 s ASN 649 Cb -0.10 -0.21 0.03 0.00 0.41 0.00 0.00 41.25 41.38 1ps3 s ASN 649 CO 0.34 -0.01 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.63 1ps3 s LEU 650 N 0.47 1.34 -0.33 0.60 2.96 0.11 -0.87 118.68 122.97 1ps3 s LEU 650 Ca -0.05 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.27 1ps3 s LEU 650 Cb -0.09 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 1ps3 s LEU 650 CO -0.00 -0.15 0.31 -0.22 -1.32 0.00 0.00 176.35 174.97 1ps3 s LEU 651 N 1.68 4.40 -0.30 -0.68 1.98 0.09 -0.33 118.68 125.52 1ps3 s LEU 651 Ca 0.03 -0.23 -0.09 0.00 -2.89 0.00 0.00 54.13 50.95 1ps3 s LEU 651 Cb -0.14 -2.26 -0.01 0.00 0.66 0.00 0.00 46.19 44.44 1ps3 s LEU 651 CO -0.08 -0.27 0.14 -0.76 -1.89 0.00 0.00 176.35 173.50 1ps3 s LEU 652 N 1.90 4.04 0.00 -0.68 1.43 0.15 -2.18 118.68 123.35 1ps3 s LEU 652 Ca 0.10 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1ps3 s LEU 652 Cb -0.17 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1ps3 s LEU 652 CO 0.11 -0.18 0.00 -2.11 0.23 0.00 0.00 176.35 174.40 1ps3 n ARG 653 N 4.98 0.00 -3.37 1.70 1.85 0.51 -1.91 116.66 120.42 1ps3 n ARG 653 Ca -0.14 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.38 1ps3 n ARG 653 Cb 0.49 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.85 1ps3 n ARG 653 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1ps3 s LYS 654 N -2.00 3.88 -1.07 2.89 1.02 -1.26 -4.23 119.74 118.97 1ps3 s LYS 654 Ca 0.00 0.38 -0.10 0.00 0.02 0.00 0.00 55.97 56.27 1ps3 s LYS 654 Cb 0.00 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 1ps3 s LYS 654 CO 0.00 0.36 0.88 0.09 -0.92 0.00 0.00 175.35 175.76 1ps3 n ASN 655 N 0.15 -6.29 -4.91 2.83 3.02 -1.26 -4.99 115.26 103.81 1ps3 n ASN 655 Ca -0.01 -0.79 -0.28 0.00 -0.03 0.00 0.00 54.58 53.47 1ps3 n ASN 655 Cb 0.52 -4.68 0.04 0.00 -0.61 0.00 0.00 39.78 35.05 1ps3 n ASN 655 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ps3 s PRO 656 N -4.84 2.90 0.18 3.52 0.04 -1.26 -5.10 135.00 130.45 1ps3 s PRO 656 Ca 0.46 0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.71 1ps3 s PRO 656 Cb -0.09 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1ps3 s PRO 656 CO 0.78 -0.80 -0.14 0.95 0.04 0.00 0.00 177.00 177.83 1ps3 s THR 657 N -3.10 1.60 0.76 1.26 -4.23 -1.26 -5.13 115.64 105.54 1ps3 s THR 657 Ca 0.55 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.78 1ps3 s THR 657 Cb -0.11 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.79 1ps3 s THR 657 CO 0.47 -0.59 0.84 -1.54 -0.54 0.00 0.00 174.62 173.26 1ps3 n SER 658 N -0.23 -0.11 -3.48 3.99 3.41 -1.26 -5.01 113.62 110.94 1ps3 n SER 658 Ca -0.09 0.60 -0.28 0.00 -0.26 0.00 0.00 58.87 58.84 1ps3 n SER 658 Cb 0.60 -1.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.08 1ps3 n SER 658 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ps3 s LEU 659 N -2.61 1.69 0.57 1.04 1.43 -1.26 -5.10 118.68 114.45 1ps3 s LEU 659 Ca 0.70 -2.89 -0.19 0.00 -1.03 0.00 0.00 54.13 50.72 1ps3 s LEU 659 Cb -0.32 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1ps3 s LEU 659 CO 0.54 -0.20 1.16 -2.16 0.23 0.00 0.00 176.35 175.91 1ps3 s PRO 660 N 0.20 3.16 -0.07 1.29 0.04 -1.26 -4.62 135.00 133.74 1ps3 s PRO 660 Ca 0.27 1.67 0.14 0.00 0.04 0.00 0.00 61.00 63.13 1ps3 s PRO 660 Cb -0.06 -1.97 0.28 0.00 0.04 0.00 0.00 34.50 32.80 1ps3 s PRO 660 CO -0.13 -1.02 1.13 1.28 0.04 0.00 0.00 177.00 178.30 1ps3 n LEU 661 N -1.52 1.32 0.00 -3.56 4.77 -1.26 -4.71 117.00 112.04 1ps3 n LEU 661 Ca 0.12 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 1ps3 n LEU 661 Cb 0.51 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1ps3 n LEU 661 CO 0.43 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1ps3 n GLY 662 N -0.32 3.11 0.00 -0.72 0.00 -1.26 -2.38 105.19 103.63 1ps3 n GLY 662 Ca 0.09 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.02 1ps3 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ps3 n GLN 663 N 13.67 0.10 -1.65 1.61 6.02 -1.26 -4.87 117.38 130.99 1ps3 n GLN 663 Ca 0.00 0.14 -0.54 0.00 -0.01 0.00 0.00 57.00 56.60 1ps3 n GLN 663 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 1ps3 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1ps3 n TYR 664 N -1.43 1.86 -0.29 1.08 9.36 -1.00 -4.87 117.16 121.87 1ps3 n TYR 664 Ca 0.06 0.52 0.05 0.00 3.32 0.00 0.00 57.90 61.86 1ps3 n TYR 664 Cb 0.20 -2.43 0.20 0.00 -0.63 0.00 0.00 39.34 36.69 1ps3 n TYR 664 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1ps3 h PRO 665 N 6.12 0.65 -5.84 2.98 0.11 -1.92 -3.44 132.00 130.65 1ps3 h PRO 665 Ca -0.47 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 64.93 1ps3 h PRO 665 Cb 1.32 -0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 1ps3 h PRO 665 CO 0.87 0.43 -0.58 -2.00 -0.21 0.00 0.00 178.00 176.51 1ps3 s GLU 666 N -5.99 3.16 0.29 1.05 2.12 -1.26 -5.10 118.70 112.98 1ps3 s GLU 666 Ca -0.12 -0.33 -0.28 0.00 0.36 0.00 0.00 54.97 54.60 1ps3 s GLU 666 Cb 0.21 -2.93 -0.09 0.00 0.26 0.00 0.00 34.13 31.58 1ps3 s GLU 666 CO 0.78 0.70 0.99 -0.51 -0.54 0.00 0.00 175.26 176.68 1ps3 s ASP 667 N -0.86 7.35 0.35 -1.70 1.01 -1.26 -4.97 116.67 116.59 1ps3 s ASP 667 Ca 0.13 2.00 -0.28 0.00 0.71 0.00 0.00 52.55 55.12 1ps3 s ASP 667 Cb -0.12 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.12 1ps3 s ASP 667 CO 0.03 -0.07 1.26 -0.69 0.21 0.00 0.00 175.17 175.91 1ps3 s VAL 668 N -1.37 2.84 0.16 -1.27 1.01 -1.26 -4.72 120.40 115.80 1ps3 s VAL 668 Ca 0.47 0.81 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1ps3 s VAL 668 Cb -0.25 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1ps3 s VAL 668 CO 0.31 0.16 0.12 -0.54 0.00 0.00 0.00 175.10 175.16 1ps3 s LYS 669 N -1.92 2.87 0.22 2.72 1.02 -0.05 -4.99 119.74 119.62 1ps3 s LYS 669 Ca 0.51 -0.87 0.06 0.00 0.02 0.00 0.00 55.97 55.69 1ps3 s LYS 669 Cb -0.37 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 1ps3 s LYS 669 CO 0.49 0.49 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.27 1ps3 s PHE 670 N -1.72 1.64 -0.14 3.18 0.40 -1.26 -0.73 117.98 119.35 1ps3 s PHE 670 Ca 0.31 -0.73 -0.34 0.00 -0.60 0.00 0.00 56.93 55.56 1ps3 s PHE 670 Cb -0.10 -0.87 0.14 0.00 0.51 0.00 0.00 43.02 42.69 1ps3 s PHE 670 CO 0.23 0.18 1.29 0.20 0.70 0.00 0.00 175.22 177.82 1ps3 s GLY 671 N -3.32 -0.34 0.63 4.36 0.00 -0.93 -4.92 107.32 102.81 1ps3 s GLY 671 Ca 0.25 1.30 -0.14 0.00 0.00 0.00 0.00 44.72 46.12 1ps3 s GLY 671 CO 0.07 0.38 1.06 0.99 0.00 0.00 0.00 173.10 175.61 1ps3 s ASP 672 N -2.50 5.59 0.32 1.64 1.01 -1.26 -0.36 116.67 121.11 1ps3 s ASP 672 Ca 0.12 1.80 -0.28 0.00 0.71 0.00 0.00 52.55 54.90 1ps3 s ASP 672 Cb 0.02 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.29 1ps3 s ASP 672 CO -0.04 -1.30 1.16 -2.65 0.21 0.00 0.00 175.17 172.55 1ps3 n PRO 673 N -2.34 1.78 -3.52 8.23 -0.02 -1.26 -4.57 135.00 133.30 1ps3 n PRO 673 Ca 0.09 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1ps3 n PRO 673 Cb 0.53 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1ps3 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ps3 s ARG 674 N -1.75 0.85 0.49 -0.52 1.70 -1.26 -5.00 118.95 113.45 1ps3 s ARG 674 Ca 0.57 -0.05 -0.23 0.00 -0.47 0.00 0.00 55.73 55.56 1ps3 s ARG 674 Cb -0.62 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.09 1ps3 s ARG 674 CO 0.61 -0.32 1.24 -1.21 -1.08 0.00 0.00 175.30 174.54 1ps3 s GLU 675 N -2.10 3.54 0.06 3.89 2.02 -1.26 -4.32 118.70 120.53 1ps3 s GLU 675 Ca -0.01 1.96 -0.00 0.00 0.02 0.00 0.00 54.97 56.94 1ps3 s GLU 675 Cb -0.01 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 1ps3 s GLU 675 CO -0.02 -0.78 -0.04 0.96 0.02 0.00 0.00 175.26 175.40 1ps3 s ILE 676 N -1.44 0.32 -0.00 -1.63 -4.36 -1.08 -4.98 121.20 108.03 1ps3 s ILE 676 Ca 0.66 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 59.43 1ps3 s ILE 676 Cb -0.33 -1.31 -0.01 0.00 1.25 0.00 0.00 42.46 42.06 1ps3 s ILE 676 CO 0.40 -0.86 -0.10 -0.55 0.24 0.00 0.00 174.94 174.07 1ps3 s SER 677 N -2.64 1.16 0.05 4.36 0.15 -1.26 -0.23 113.70 115.29 1ps3 s SER 677 Ca 0.04 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1ps3 s SER 677 Cb 0.04 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1ps3 s SER 677 CO -0.07 0.10 -0.06 -0.76 1.20 0.00 0.00 173.24 173.65 1ps3 s LEU 678 N -0.36 2.35 -0.23 3.45 1.43 -0.01 -4.99 118.68 120.32 1ps3 s LEU 678 Ca 0.03 -0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 1ps3 s LEU 678 Cb -0.04 -0.02 0.12 0.00 0.03 0.00 0.00 46.19 46.27 1ps3 s LEU 678 CO -0.00 -0.35 0.46 -0.60 0.23 0.00 0.00 176.35 176.09 1ps3 s ARG 679 N -2.42 0.39 -0.15 1.70 3.52 -1.26 -0.83 118.95 119.89 1ps3 s ARG 679 Ca -0.04 0.97 -0.13 0.00 -0.13 0.00 0.00 55.73 56.40 1ps3 s ARG 679 Cb -0.04 0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.54 1ps3 s ARG 679 CO -0.03 -0.37 0.27 0.08 -0.81 0.00 0.00 175.30 174.44 1ps3 s VAL 680 N 2.66 5.31 0.00 7.11 1.01 -1.26 -4.96 120.40 130.27 1ps3 s VAL 680 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1ps3 s VAL 680 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1ps3 s VAL 680 CO -0.15 0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1ps3 n GLY 681 N 3.22 1.17 1.87 4.51 0.00 -1.26 -2.21 105.19 112.49 1ps3 n GLY 681 Ca -0.13 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1ps3 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ps3 n ASN 682 N -2.82 3.86 -1.90 1.61 5.03 -1.26 -4.93 115.26 114.86 1ps3 n ASN 682 Ca 0.00 -3.12 0.00 0.00 0.87 0.00 0.00 54.58 52.33 1ps3 n ASN 682 Cb 0.00 -0.74 0.00 0.00 -1.02 0.00 0.00 39.78 38.02 1ps3 n ASN 682 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ps3 n GLY 683 N -0.47 0.25 3.77 7.41 0.00 -0.94 -5.03 105.19 110.18 1ps3 n GLY 683 Ca 0.41 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1ps3 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ps3 s PRO 684 N 1.11 2.84 -0.21 1.61 0.04 -1.26 -4.83 135.00 134.31 1ps3 s PRO 684 Ca 0.00 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1ps3 s PRO 684 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1ps3 s PRO 684 CO 0.00 -1.21 0.02 0.99 0.04 0.00 0.00 177.00 176.83 1ps3 s THR 685 N -2.36 4.07 -0.10 1.26 2.01 0.33 -4.30 115.64 116.54 1ps3 s THR 685 Ca 0.66 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 1ps3 s THR 685 Cb -0.20 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1ps3 s THR 685 CO 0.41 0.42 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.93 1ps3 s LEU 686 N 1.05 3.12 -0.02 4.42 1.43 -0.01 -0.68 118.68 127.98 1ps3 s LEU 686 Ca 0.02 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1ps3 s LEU 686 Cb -0.14 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1ps3 s LEU 686 CO 0.02 0.29 -0.08 0.00 0.23 0.00 0.00 176.35 176.81 1ps3 s ALA 687 N -0.37 2.95 0.14 4.21 0.00 -0.76 -0.83 121.76 127.11 1ps3 s ALA 687 Ca 0.05 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.12 1ps3 s ALA 687 Cb -0.12 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1ps3 s ALA 687 CO 0.02 0.59 -0.19 -0.06 0.00 0.00 0.00 175.76 176.12 1ps3 s PHE 688 N -0.90 1.81 0.91 0.00 0.40 0.68 -0.48 117.98 120.41 1ps3 s PHE 688 Ca 0.15 -0.45 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1ps3 s PHE 688 Cb -0.11 -0.94 0.15 0.00 0.51 0.00 0.00 43.02 42.63 1ps3 s PHE 688 CO 0.05 0.29 1.22 -1.54 0.70 0.00 0.00 175.22 175.93 1ps3 s SER 689 N -2.38 3.53 0.00 1.36 1.04 0.60 -2.63 113.70 115.22 1ps3 s SER 689 Ca 0.12 0.61 0.18 0.00 0.48 0.00 0.00 55.95 57.35 1ps3 s SER 689 Cb -0.07 -0.94 0.99 0.00 0.10 0.00 0.00 66.02 66.10 1ps3 s SER 689 CO 0.06 -2.50 1.53 -1.84 0.98 0.00 0.00 173.24 171.46 1ps3 n GLU 690 N -3.68 0.40 -0.51 4.02 0.28 -1.26 -1.40 120.64 118.48 1ps3 n GLU 690 Ca 0.11 0.07 0.10 0.00 -0.16 0.00 0.00 57.16 57.27 1ps3 n GLU 690 Cb 0.60 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 32.31 1ps3 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1ps3 n GLN 691 N -1.16 3.37 -1.16 3.44 6.02 -1.26 -4.42 117.38 122.20 1ps3 n GLN 691 Ca 0.11 -2.78 -0.06 0.00 -0.01 0.00 0.00 57.00 54.26 1ps3 n GLN 691 Cb 0.11 -1.76 -0.02 0.00 1.02 0.00 0.00 30.24 29.58 1ps3 n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ps3 n GLY 692 N 1.21 0.80 3.72 1.08 0.00 -0.50 -4.88 105.19 106.62 1ps3 n GLY 692 Ca 0.25 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1ps3 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ps3 s LEU 693 N -1.26 3.71 0.29 0.99 1.43 -1.26 -4.75 118.68 117.83 1ps3 s LEU 693 Ca 0.00 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1ps3 s LEU 693 Cb 0.00 -1.98 -0.13 0.00 0.03 0.00 0.00 46.19 44.11 1ps3 s LEU 693 CO 0.00 0.34 1.26 -0.11 0.23 0.00 0.00 176.35 178.06 1ps3 n LEU 694 N 1.77 2.95 0.00 1.79 7.94 -1.26 -0.29 117.00 129.90 1ps3 n LEU 694 Ca -0.17 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 1ps3 n LEU 694 Cb 0.53 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.07 1ps3 n LEU 694 CO 0.32 -0.72 -0.41 1.17 -1.11 0.00 0.00 177.39 176.63 1ps3 n LYS 695 N 1.06 2.46 -3.43 1.96 4.81 0.36 -2.46 118.16 122.92 1ps3 n LYS 695 Ca 0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.40 1ps3 n LYS 695 Cb 0.33 -0.91 -0.02 0.00 0.02 0.00 0.00 35.03 34.45 1ps3 n LYS 695 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1ps3 s SER 696 N -2.94 -0.55 -0.04 3.14 1.04 -1.15 -1.42 113.70 111.78 1ps3 s SER 696 Ca 0.00 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1ps3 s SER 696 Cb 0.00 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1ps3 s SER 696 CO 0.00 -0.96 -0.08 -0.63 0.98 0.00 0.00 173.24 172.55 1ps3 s ILE 697 N -3.71 0.80 -0.28 -1.02 1.01 -0.08 -1.82 121.20 116.09 1ps3 s ILE 697 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1ps3 s ILE 697 Cb -0.01 -0.75 0.07 0.00 0.01 0.00 0.00 42.46 41.77 1ps3 s ILE 697 CO -0.12 0.27 -0.06 -1.58 0.00 0.00 0.00 174.94 173.44 1ps3 s GLN 698 N 0.60 2.11 0.20 2.79 0.74 0.14 -0.32 119.66 125.92 1ps3 s GLN 698 Ca -0.10 -1.45 -0.10 0.00 0.05 0.00 0.00 55.36 53.76 1ps3 s GLN 698 Cb -0.13 -2.99 0.13 0.00 1.10 0.00 0.00 33.01 31.11 1ps3 s GLN 698 CO 0.01 -0.65 1.79 -0.07 -0.55 0.00 0.00 175.29 175.82 1ps3 h LEU 699 N 7.77 0.92 -8.33 3.68 3.38 -1.85 0.94 115.31 121.82 1ps3 h LEU 699 Ca -0.16 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.50 1ps3 h LEU 699 Cb 1.04 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 1ps3 h LEU 699 CO 0.48 0.79 -0.69 0.42 0.09 0.00 0.00 178.44 179.53 1ps3 s THR 700 N -5.73 0.48 0.34 0.22 -4.23 -1.26 -4.06 115.64 101.40 1ps3 s THR 700 Ca -0.13 -1.80 0.32 0.00 -1.18 0.00 0.00 61.69 58.90 1ps3 s THR 700 Cb 0.14 -1.50 0.32 0.00 1.34 0.00 0.00 72.50 72.79 1ps3 s THR 700 CO 0.80 -0.88 1.96 1.56 -0.54 0.00 0.00 174.62 177.52 1ps3 h GLN 701 N 3.19 0.00 0.00 3.99 4.20 -1.92 -2.23 115.11 122.35 1ps3 h GLN 701 Ca -0.35 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.31 1ps3 h GLN 701 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1ps3 h GLN 701 CO 0.63 0.00 -0.42 -0.44 -0.67 0.00 0.00 178.83 177.93 1ps3 h ASP 702 N 0.00 0.00 -2.59 1.46 3.32 -1.98 -3.48 116.42 113.15 1ps3 h ASP 702 Ca 0.00 -0.35 -0.56 0.00 0.02 0.00 0.00 57.03 56.13 1ps3 h ASP 702 Cb 0.19 0.00 0.21 0.00 0.22 0.00 0.00 39.33 39.95 1ps3 h ASP 702 CO 0.00 0.91 -1.07 -1.54 -1.72 0.00 0.00 179.24 175.82 1ps3 n SER 703 N -4.62 -3.48 -4.86 6.45 3.41 -0.84 -4.99 113.62 104.70 1ps3 n SER 703 Ca -0.12 0.42 -0.30 0.00 -0.26 0.00 0.00 58.87 58.62 1ps3 n SER 703 Cb 0.34 -0.99 0.07 0.00 -0.26 0.00 0.00 64.21 63.37 1ps3 n SER 703 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ps3 s PRO 704 N -2.29 2.52 -0.68 4.33 0.04 -1.26 -4.79 135.00 132.87 1ps3 s PRO 704 Ca 0.54 0.49 -0.24 0.00 0.04 0.00 0.00 61.00 61.83 1ps3 s PRO 704 Cb -0.30 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.32 1ps3 s PRO 704 CO 0.70 -1.28 1.04 -1.01 0.04 0.00 0.00 177.00 176.48 1ps3 s HIS 705 N -3.31 2.58 -0.03 0.56 3.76 -1.26 -4.41 115.29 113.17 1ps3 s HIS 705 Ca 0.59 -0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 54.77 1ps3 s HIS 705 Cb -0.12 -4.38 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 1ps3 s HIS 705 CO 0.52 -1.75 1.30 0.08 -0.85 0.00 0.00 174.74 174.04 1ps3 s VAL 706 N 4.46 3.99 -0.25 -0.90 1.01 0.56 -4.75 120.40 124.53 1ps3 s VAL 706 Ca 0.25 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.29 1ps3 s VAL 706 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1ps3 s VAL 706 CO 0.11 -0.01 2.08 -2.84 0.00 0.00 0.00 175.10 174.45 1ps3 s PRO 707 N 2.37 3.19 -0.27 2.72 0.02 -1.26 -0.90 135.00 140.87 1ps3 s PRO 707 Ca 0.60 1.83 -0.03 0.00 0.02 0.00 0.00 61.00 63.42 1ps3 s PRO 707 Cb -0.28 -4.32 0.09 0.00 0.02 0.00 0.00 34.50 30.01 1ps3 s PRO 707 CO 0.24 -2.03 0.10 0.08 -0.33 0.00 0.00 177.00 175.06 1ps3 s VAL 708 N 7.87 0.35 -0.19 3.83 1.01 -0.51 -4.14 120.40 128.62 1ps3 s VAL 708 Ca 0.94 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1ps3 s VAL 708 Cb -0.30 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1ps3 s VAL 708 CO 0.35 -0.58 -0.03 -1.00 0.00 0.00 0.00 175.10 173.84 1ps3 s HIS 709 N 1.90 2.99 0.09 5.22 3.76 -0.40 -2.92 115.29 125.94 1ps3 s HIS 709 Ca 0.07 -0.57 -0.17 0.00 -0.15 0.00 0.00 55.06 54.24 1ps3 s HIS 709 Cb -0.17 -2.05 -0.07 0.00 1.11 0.00 0.00 32.58 31.41 1ps3 s HIS 709 CO -0.25 -0.28 0.54 -0.06 -0.85 0.00 0.00 174.74 173.83 1ps3 s PHE 710 N 0.96 3.72 -0.12 1.40 2.99 -1.03 -0.66 117.98 125.23 1ps3 s PHE 710 Ca 0.00 1.15 -0.17 0.00 0.00 0.00 0.00 56.93 57.91 1ps3 s PHE 710 Cb -0.15 -2.42 0.04 0.00 0.00 0.00 0.00 43.02 40.50 1ps3 s PHE 710 CO 0.01 0.53 0.45 0.21 -0.00 0.00 0.00 175.22 176.43 1ps3 s LYS 711 N -1.45 0.63 -0.14 0.44 2.20 -0.08 -4.74 119.74 116.59 1ps3 s LYS 711 Ca 0.32 0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 56.32 1ps3 s LYS 711 Cb -0.17 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 1ps3 s LYS 711 CO 0.18 -0.12 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.93 1ps3 s PHE 712 N -0.27 2.96 0.32 4.03 0.40 -1.26 -0.31 117.98 123.85 1ps3 s PHE 712 Ca -0.04 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1ps3 s PHE 712 Cb -0.03 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 1ps3 s PHE 712 CO 0.02 -0.05 0.09 -0.51 0.70 0.00 0.00 175.22 175.48 1ps3 s LEU 713 N 0.25 1.95 0.01 -0.37 1.02 -0.52 -1.74 118.68 119.28 1ps3 s LEU 713 Ca -0.05 -1.46 0.04 0.00 0.02 0.00 0.00 54.13 52.68 1ps3 s LEU 713 Cb -0.14 -0.17 -0.01 0.00 0.02 0.00 0.00 46.19 45.89 1ps3 s LEU 713 CO 0.04 -0.73 -0.12 -1.59 0.02 0.00 0.00 176.35 173.97 1ps3 s LYS 714 N -3.89 0.87 0.08 1.70 -2.85 0.92 -1.15 119.74 115.43 1ps3 s LYS 714 Ca 0.34 -0.51 0.04 0.00 -1.00 0.00 0.00 55.97 54.83 1ps3 s LYS 714 Cb 0.07 -0.84 -0.04 0.00 -2.06 0.00 0.00 37.83 34.95 1ps3 s LYS 714 CO 0.15 0.22 0.06 0.71 0.10 0.00 0.00 175.35 176.59 1ps3 s TYR 715 N -0.49 3.13 0.00 1.78 1.51 0.74 -0.91 117.35 123.12 1ps3 s TYR 715 Ca 0.03 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 1ps3 s TYR 715 Cb -0.06 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1ps3 s TYR 715 CO 0.00 0.51 0.00 0.41 -1.11 0.00 0.00 175.55 175.36 1ps3 n GLY 716 N 0.47 3.54 3.37 0.71 0.00 -1.26 -1.40 105.19 110.62 1ps3 n GLY 716 Ca -0.09 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 1ps3 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ps3 s VAL 717 N -0.36 2.30 0.35 1.61 1.01 -1.25 -3.25 120.40 120.82 1ps3 s VAL 717 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 60.36 1ps3 s VAL 717 Cb 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 1ps3 s VAL 717 CO 0.00 0.36 1.31 -0.13 0.00 0.00 0.00 175.10 176.64 1ps3 s ARG 718 N -1.29 4.24 0.28 2.72 0.52 -1.26 -4.74 118.95 119.43 1ps3 s ARG 718 Ca 0.12 2.21 0.23 0.00 -0.52 0.00 0.00 55.73 57.78 1ps3 s ARG 718 Cb -0.10 -2.98 0.22 0.00 0.52 0.00 0.00 34.95 32.61 1ps3 s ARG 718 CO 0.03 -0.28 1.33 0.66 0.02 0.00 0.00 175.30 177.06 1ps3 h SER 719 N 3.17 0.00 -1.49 0.23 4.64 -1.98 -3.46 113.55 114.67 1ps3 h SER 719 Ca -0.49 -0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.18 1ps3 h SER 719 Cb 1.23 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.19 1ps3 h SER 719 CO 0.65 0.01 -0.57 -1.00 -0.87 0.00 0.00 176.83 175.05 1ps3 s HIS 720 N -3.27 2.18 0.00 4.77 3.76 -1.26 -5.08 115.29 116.40 1ps3 s HIS 720 Ca 0.04 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 1ps3 s HIS 720 Cb 0.09 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.15 1ps3 s HIS 720 CO 0.72 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 175.30 1ps3 n GLY 721 N -1.04 1.01 3.78 -2.22 0.00 -1.26 -4.75 105.19 100.71 1ps3 n GLY 721 Ca -0.10 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1ps3 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ps3 s ASP 722 N -4.00 7.19 0.03 1.61 -0.00 -1.26 -5.05 116.67 115.19 1ps3 s ASP 722 Ca 0.00 1.96 -0.05 0.00 -0.00 0.00 0.00 52.55 54.46 1ps3 s ASP 722 Cb 0.00 -2.59 -0.05 0.00 -0.00 0.00 0.00 42.92 40.28 1ps3 s ASP 722 CO 0.00 -0.18 0.27 -0.13 -0.00 0.00 0.00 175.17 175.13 1ps3 s ARG 723 N -2.03 3.56 0.54 8.23 3.00 -1.26 -4.62 118.95 126.37 1ps3 s ARG 723 Ca 0.51 -0.14 -0.19 0.00 0.00 0.00 0.00 55.73 55.91 1ps3 s ARG 723 Cb -0.22 -3.05 -0.06 0.00 0.00 0.00 0.00 34.95 31.62 1ps3 s ARG 723 CO 0.28 0.62 1.12 -1.12 0.00 0.00 0.00 175.30 176.20 1ps3 s SER 724 N -1.90 5.78 0.00 0.23 0.01 -1.26 -4.54 113.70 112.01 1ps3 s SER 724 Ca 0.30 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1ps3 s SER 724 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1ps3 s SER 724 CO 0.19 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1ps3 n GLY 725 N 0.06 3.93 0.32 3.44 0.00 -0.78 -4.57 105.19 107.59 1ps3 n GLY 725 Ca 0.11 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 45.07 1ps3 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ps3 h ALA 726 N 1.46 2.05 0.00 4.61 0.00 -1.84 -3.26 119.26 122.28 1ps3 h ALA 726 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.51 1ps3 h ALA 726 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1ps3 h ALA 726 CO 0.00 -0.12 -2.14 0.66 0.00 0.00 0.00 179.25 177.65 1ps3 n TYR 727 N -4.47 0.34 -3.31 0.00 4.02 -1.26 -2.81 117.16 109.67 1ps3 n TYR 727 Ca 0.05 0.14 -0.36 0.00 -0.01 0.00 0.00 57.90 57.72 1ps3 n TYR 727 Cb 0.27 -1.04 -0.06 0.00 -0.02 0.00 0.00 39.34 38.50 1ps3 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ps3 s LEU 728 N -7.57 4.36 -0.31 7.72 1.43 -1.23 -1.31 118.68 121.76 1ps3 s LEU 728 Ca -0.35 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1ps3 s LEU 728 Cb 0.12 -3.28 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1ps3 s LEU 728 CO 0.53 0.11 0.01 0.12 0.23 0.00 0.00 176.35 177.35 1ps3 s PHE 729 N -1.44 3.38 -0.55 0.29 5.99 -1.17 -1.87 117.98 122.61 1ps3 s PHE 729 Ca 0.38 -2.22 0.06 0.00 0.00 0.00 0.00 56.93 55.15 1ps3 s PHE 729 Cb -0.16 -2.33 0.22 0.00 0.00 0.00 0.00 43.02 40.75 1ps3 s PHE 729 CO 0.19 -0.87 0.57 1.28 -0.00 0.00 0.00 175.22 176.40 1ps3 n LEU 730 N 4.52 2.00 -4.73 6.12 4.77 -1.26 -4.68 117.00 123.74 1ps3 n LEU 730 Ca -0.10 -5.03 -0.36 0.00 -0.03 0.00 0.00 56.01 50.49 1ps3 n LEU 730 Cb 0.43 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1ps3 n LEU 730 CO 0.25 1.97 0.86 -2.16 -1.33 0.00 0.00 177.39 176.98 1ps3 s PRO 731 N -1.54 2.46 -0.92 3.23 0.04 -1.26 -4.04 135.00 132.97 1ps3 s PRO 731 Ca 0.34 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 1ps3 s PRO 731 Cb 0.10 -1.85 0.26 0.00 0.04 0.00 0.00 34.50 33.04 1ps3 s PRO 731 CO -0.10 -1.63 2.14 0.27 0.04 0.00 0.00 177.00 177.72 1ps3 n ASN 732 N -2.14 7.39 0.00 6.66 6.94 -1.20 -4.79 115.26 128.13 1ps3 n ASN 732 Ca 0.15 -3.57 0.00 0.00 -0.02 0.00 0.00 54.58 51.14 1ps3 n ASN 732 Cb 0.49 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.73 1ps3 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ps3 n GLY 733 N 0.22 0.68 3.63 4.83 0.00 -1.26 -4.85 105.19 108.44 1ps3 n GLY 733 Ca 0.52 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1ps3 n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ps3 n PRO 734 N 0.46 -0.44 -2.18 1.61 -0.02 -1.26 -4.80 135.00 128.37 1ps3 n PRO 734 Ca 0.00 -0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.07 1ps3 n PRO 734 Cb 0.00 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.19 1ps3 n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ps3 s ALA 735 N -2.60 2.66 -0.06 3.55 0.00 -1.26 -4.92 121.76 119.14 1ps3 s ALA 735 Ca 0.65 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 1ps3 s ALA 735 Cb -0.23 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1ps3 s ALA 735 CO 0.59 -0.84 -0.00 -1.12 0.00 0.00 0.00 175.76 174.39 1ps3 s SER 736 N -1.91 5.18 0.37 0.00 0.01 -0.08 -4.83 113.70 112.43 1ps3 s SER 736 Ca 0.72 0.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.79 1ps3 s SER 736 Cb -0.23 -1.42 -0.11 0.00 0.21 0.00 0.00 66.02 64.47 1ps3 s SER 736 CO 0.29 0.35 1.49 -2.65 0.41 0.00 0.00 173.24 173.13 1ps3 n PRO 737 N 1.91 2.66 -2.48 12.44 -0.02 -1.26 -0.06 135.00 148.19 1ps3 n PRO 737 Ca -0.17 0.93 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 1ps3 n PRO 737 Cb 0.53 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1ps3 n PRO 737 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ps3 s VAL 738 N -1.00 3.73 -0.29 -1.45 1.01 -0.71 -4.78 120.40 116.91 1ps3 s VAL 738 Ca 0.54 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.78 1ps3 s VAL 738 Cb -0.48 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1ps3 s VAL 738 CO 0.62 0.29 1.26 -1.61 0.00 0.00 0.00 175.10 175.66 1ps3 s GLU 739 N -0.61 3.96 0.19 2.72 0.41 -1.26 -4.91 118.70 119.20 1ps3 s GLU 739 Ca 0.49 1.25 0.23 0.00 -0.41 0.00 0.00 54.97 56.53 1ps3 s GLU 739 Cb -0.30 -3.85 0.08 0.00 -1.78 0.00 0.00 34.13 28.27 1ps3 s GLU 739 CO 0.37 -1.06 1.12 -0.07 -0.49 0.00 0.00 175.26 175.12 1ps3 h LEU 740 N 10.67 0.00 0.00 1.80 3.38 -1.98 -3.44 115.31 125.74 1ps3 h LEU 740 Ca -0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ps3 h LEU 740 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ps3 h LEU 740 CO 1.03 0.03 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1ps3 n GLY 741 N 1.22 2.45 2.85 0.83 0.00 -1.26 -3.63 105.19 107.64 1ps3 n GLY 741 Ca 0.01 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1ps3 n GLY 741 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ps3 n GLN 742 N 13.57 1.68 -1.62 1.61 6.02 -1.26 -5.11 117.38 132.28 1ps3 n GLN 742 Ca 0.00 -4.37 -0.36 0.00 -0.01 0.00 0.00 57.00 52.27 1ps3 n GLN 742 Cb 0.00 -2.23 0.08 0.00 1.02 0.00 0.00 30.24 29.11 1ps3 n GLN 742 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1ps3 s PRO 743 N -1.33 2.37 -0.01 -1.09 0.04 -1.24 -4.99 135.00 128.75 1ps3 s PRO 743 Ca 0.26 1.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.98 1ps3 s PRO 743 Cb -0.03 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1ps3 s PRO 743 CO -0.17 -1.70 0.81 0.08 0.04 0.00 0.00 177.00 176.06 1ps3 s VAL 744 N -1.63 4.88 -0.10 -0.36 1.01 -1.26 -4.87 120.40 118.07 1ps3 s VAL 744 Ca 0.79 1.71 0.02 0.00 0.00 0.00 0.00 61.98 64.50 1ps3 s VAL 744 Cb -0.34 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 1ps3 s VAL 744 CO 0.42 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.92 1ps3 s VAL 745 N 0.59 2.76 -0.19 2.92 1.01 -0.80 -2.60 120.40 124.09 1ps3 s VAL 745 Ca 0.42 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1ps3 s VAL 745 Cb -0.20 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1ps3 s VAL 745 CO 0.23 0.55 -0.15 -0.22 0.00 0.00 0.00 175.10 175.50 1ps3 s LEU 746 N 0.07 2.37 -0.20 3.92 2.96 0.27 0.31 118.68 128.39 1ps3 s LEU 746 Ca -0.07 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1ps3 s LEU 746 Cb -0.15 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1ps3 s LEU 746 CO 0.05 0.01 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.36 1ps3 s VAL 747 N 1.28 3.58 -0.16 1.68 1.01 0.55 -1.05 120.40 127.29 1ps3 s VAL 747 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1ps3 s VAL 747 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1ps3 s VAL 747 CO -0.09 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.41 1ps3 s THR 748 N 1.07 2.59 -0.17 3.92 2.01 -0.29 0.06 115.64 124.83 1ps3 s THR 748 Ca 0.01 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1ps3 s THR 748 Cb -0.15 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.29 1ps3 s THR 748 CO 0.00 0.51 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.50 1ps3 s LYS 749 N 0.93 3.02 0.18 4.92 2.20 -0.22 -0.47 119.74 130.30 1ps3 s LYS 749 Ca -0.03 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1ps3 s LYS 749 Cb -0.15 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.56 1ps3 s LYS 749 CO -0.02 -0.17 0.07 0.20 -0.36 0.00 0.00 175.35 175.07 1ps3 s GLY 750 N 1.20 1.29 0.19 5.54 0.00 -0.95 -0.58 107.32 114.02 1ps3 s GLY 750 Ca 0.03 -1.63 -0.08 0.00 0.00 0.00 0.00 44.72 43.03 1ps3 s GLY 750 CO -0.10 -1.45 1.66 0.50 0.00 0.00 0.00 173.10 173.70 1ps3 h LYS 751 N 2.68 1.06 0.01 2.90 1.79 -1.96 -3.33 116.57 119.71 1ps3 h LYS 751 Ca -0.36 -0.33 -0.36 0.00 -2.18 0.00 0.00 60.65 57.42 1ps3 h LYS 751 Cb 1.22 -0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.71 1ps3 h LYS 751 CO 0.59 1.03 -2.27 1.28 -1.08 0.00 0.00 179.45 179.00 1ps3 n LEU 752 N -4.18 1.21 -3.77 2.94 4.77 -1.26 -4.51 117.00 112.20 1ps3 n LEU 752 Ca 0.03 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1ps3 n LEU 752 Cb 0.34 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 1ps3 n LEU 752 CO 0.44 0.64 -0.10 -0.70 -1.33 0.00 0.00 177.39 176.34 1ps3 s GLU 753 N -2.52 0.27 0.18 3.23 2.12 -1.25 -4.50 118.70 116.21 1ps3 s GLU 753 Ca -0.17 0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.57 1ps3 s GLU 753 Cb 0.07 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 1ps3 s GLU 753 CO 0.76 -0.06 -0.01 -1.12 -0.54 0.00 0.00 175.26 174.28 1ps3 s SER 754 N 0.40 1.37 0.01 -1.70 0.01 -0.49 -2.23 113.70 111.07 1ps3 s SER 754 Ca -0.02 -1.15 -0.28 0.00 1.31 0.00 0.00 55.95 55.80 1ps3 s SER 754 Cb -0.04 0.09 0.10 0.00 0.21 0.00 0.00 66.02 66.38 1ps3 s SER 754 CO -0.02 -0.53 0.86 -0.94 0.41 0.00 0.00 173.24 173.03 1ps3 s SER 755 N -3.19 -0.38 -0.13 2.44 1.04 0.37 -0.55 113.70 113.31 1ps3 s SER 755 Ca 0.23 0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 1ps3 s SER 755 Cb 0.06 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1ps3 s SER 755 CO 0.04 -0.65 -0.06 -0.69 0.98 0.00 0.00 173.24 172.85 1ps3 s VAL 756 N -3.17 1.01 -0.03 5.02 1.01 -0.55 -1.13 120.40 122.56 1ps3 s VAL 756 Ca 0.05 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1ps3 s VAL 756 Cb -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1ps3 s VAL 756 CO -0.09 0.29 -0.26 -0.44 0.00 0.00 0.00 175.10 174.60 1ps3 s SER 757 N 1.70 3.04 -0.02 3.32 0.01 -0.22 -1.16 113.70 120.38 1ps3 s SER 757 Ca 0.04 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1ps3 s SER 757 Cb -0.13 -0.50 0.01 0.00 0.21 0.00 0.00 66.02 65.60 1ps3 s SER 757 CO -0.08 0.29 -0.05 0.54 0.41 0.00 0.00 173.24 174.35 1ps3 s VAL 758 N -0.46 0.50 -0.76 3.43 0.11 0.34 -0.56 120.40 122.99 1ps3 s VAL 758 Ca 0.05 -0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 58.71 1ps3 s VAL 758 Cb -0.11 -0.47 0.10 0.00 -1.53 0.00 0.00 36.38 34.37 1ps3 s VAL 758 CO 0.01 0.18 0.98 -0.83 -3.33 0.00 0.00 175.10 172.10 1ps3 s GLY 759 N 0.33 1.69 0.39 6.54 0.00 -1.07 -1.26 107.32 113.94 1ps3 s GLY 759 Ca -0.04 -2.32 0.05 0.00 0.00 0.00 0.00 44.72 42.42 1ps3 s GLY 759 CO -0.00 1.94 0.55 1.08 0.00 0.00 0.00 173.10 176.67 1ps3 s LEU 760 N 3.19 3.81 0.01 0.66 1.43 0.81 -4.40 118.68 124.19 1ps3 s LEU 760 Ca 0.24 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 1ps3 s LEU 760 Cb -0.13 -2.84 -0.08 0.00 0.03 0.00 0.00 46.19 43.18 1ps3 s LEU 760 CO 0.01 -0.59 1.84 -2.84 0.23 0.00 0.00 176.35 175.01 1ps3 s PRO 761 N -4.32 4.16 0.00 1.29 0.02 -1.26 -1.78 135.00 133.11 1ps3 s PRO 761 Ca 0.48 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.95 1ps3 s PRO 761 Cb -0.10 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.35 1ps3 s PRO 761 CO 0.33 -0.91 0.00 0.43 -0.33 0.00 0.00 177.00 176.53 1ps3 n SER 762 N 7.29 0.00 -3.70 2.53 7.64 -1.26 -4.98 113.62 121.15 1ps3 n SER 762 Ca 0.19 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.95 1ps3 n SER 762 Cb 0.42 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 63.27 1ps3 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ps3 s VAL 763 N -3.04 -0.11 -0.48 0.44 1.01 -0.73 -0.78 120.40 116.71 1ps3 s VAL 763 Ca 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1ps3 s VAL 763 Cb 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.96 1ps3 s VAL 763 CO 0.00 0.06 0.42 -0.69 0.00 0.00 0.00 175.10 174.88 1ps3 s VAL 764 N 1.52 5.23 -0.11 2.92 1.01 -0.76 -0.13 120.40 130.07 1ps3 s VAL 764 Ca -0.08 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.58 1ps3 s VAL 764 Cb -0.10 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1ps3 s VAL 764 CO -0.11 -0.63 0.50 -2.28 0.00 0.00 0.00 175.10 172.58 1ps3 s HIS 765 N 1.65 3.52 -0.04 5.22 5.04 -0.39 -1.48 115.29 128.81 1ps3 s HIS 765 Ca 0.04 0.93 0.02 0.00 -1.54 0.00 0.00 55.06 54.51 1ps3 s HIS 765 Cb -0.25 -2.58 0.01 0.00 0.04 0.00 0.00 32.58 29.80 1ps3 s HIS 765 CO 0.06 0.16 -0.07 -0.65 -2.34 0.00 0.00 174.74 171.90 1ps3 s GLN 766 N 0.65 0.92 -0.23 2.88 -0.21 0.03 -0.50 119.66 123.19 1ps3 s GLN 766 Ca 0.27 -0.20 -0.01 0.00 0.02 0.00 0.00 55.36 55.44 1ps3 s GLN 766 Cb -0.15 -0.87 0.02 0.00 1.00 0.00 0.00 33.01 33.01 1ps3 s GLN 766 CO 0.11 0.00 -0.08 0.99 -2.12 0.00 0.00 175.29 174.19 1ps3 s THR 767 N 0.59 2.79 -0.10 -0.19 2.01 -0.30 -1.04 115.64 119.40 1ps3 s THR 767 Ca -0.09 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 1ps3 s THR 767 Cb -0.12 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1ps3 s THR 767 CO 0.01 0.29 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.55 1ps3 s ILE 768 N 1.34 3.92 -0.10 1.82 1.01 0.14 -1.48 121.20 127.85 1ps3 s ILE 768 Ca 0.02 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1ps3 s ILE 768 Cb -0.16 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1ps3 s ILE 768 CO -0.06 0.57 -0.19 -0.04 0.00 0.00 0.00 174.94 175.23 1ps3 s MET 769 N -0.53 2.56 -0.02 2.79 -1.94 0.28 -0.36 119.30 122.08 1ps3 s MET 769 Ca 0.08 -0.70 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 1ps3 s MET 769 Cb -0.12 -2.04 0.04 0.00 2.01 0.00 0.00 34.83 34.72 1ps3 s MET 769 CO 0.02 0.05 0.88 0.54 -0.01 0.00 0.00 175.02 176.50 1ps3 n ARG 770 N 3.87 1.70 0.00 2.03 1.74 -1.26 -1.39 116.66 123.35 1ps3 n ARG 770 Ca -0.20 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.54 1ps3 n ARG 770 Cb 0.52 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 1ps3 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ps3 n GLY 771 N -0.46 2.03 0.00 -0.13 0.00 -1.26 -4.91 105.19 100.46 1ps3 n GLY 771 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ps3 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ps3 n GLY 772 N -0.15 5.03 3.73 -0.02 0.00 -1.26 -3.86 105.19 108.66 1ps3 n GLY 772 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1ps3 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ps3 s ALA 773 N -2.00 3.85 0.71 4.61 0.00 -1.26 -4.67 121.76 123.00 1ps3 s ALA 773 Ca 0.00 1.58 -0.13 0.00 0.00 0.00 0.00 51.96 53.41 1ps3 s ALA 773 Cb 0.00 -3.67 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1ps3 s ALA 773 CO 0.00 -0.95 1.11 -1.25 0.00 0.00 0.00 175.76 174.67 1ps3 s PRO 774 N 0.45 2.51 -0.09 0.00 0.04 -1.24 -4.75 135.00 131.91 1ps3 s PRO 774 Ca 0.70 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 1ps3 s PRO 774 Cb -0.49 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1ps3 s PRO 774 CO 0.39 -1.47 -0.05 -2.00 0.04 0.00 0.00 177.00 173.91 1ps3 s GLU 775 N -4.44 3.00 -0.09 4.56 2.12 0.51 -2.04 118.70 122.33 1ps3 s GLU 775 Ca 0.65 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 55.49 1ps3 s GLU 775 Cb -0.19 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 1ps3 s GLU 775 CO 0.48 0.58 -0.16 0.42 -0.54 0.00 0.00 175.26 176.04 1ps3 s ILE 776 N -0.56 2.84 -0.06 -3.70 -1.09 -0.39 0.29 121.20 118.53 1ps3 s ILE 776 Ca 0.09 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 1ps3 s ILE 776 Cb -0.12 -2.13 0.01 0.00 -1.58 0.00 0.00 42.46 38.64 1ps3 s ILE 776 CO 0.02 0.56 -0.10 -0.13 -1.23 0.00 0.00 174.94 174.06 1ps3 s ARG 777 N -0.16 1.43 -0.18 2.79 0.52 -0.21 -0.39 118.95 122.76 1ps3 s ARG 777 Ca -0.01 -0.34 0.01 0.00 -0.52 0.00 0.00 55.73 54.87 1ps3 s ARG 777 Cb -0.14 -1.23 0.02 0.00 0.52 0.00 0.00 34.95 34.13 1ps3 s ARG 777 CO 0.03 0.02 -0.20 -0.80 0.02 0.00 0.00 175.30 174.38 1ps3 s ASN 778 N 0.66 3.13 -0.60 0.23 0.01 -0.06 -0.79 114.94 117.52 1ps3 s ASN 778 Ca -0.13 -0.66 -0.19 0.00 -0.71 0.00 0.00 52.86 51.17 1ps3 s ASN 778 Cb -0.15 -1.47 0.10 0.00 0.41 0.00 0.00 41.25 40.15 1ps3 s ASN 778 CO 0.03 -0.01 0.74 -0.22 -1.51 0.00 0.00 177.10 176.13 1ps3 s LEU 779 N 1.30 5.26 -0.28 0.60 2.96 -0.55 -0.87 118.68 127.09 1ps3 s LEU 779 Ca 0.05 -1.38 -0.16 0.00 -0.22 0.00 0.00 54.13 52.42 1ps3 s LEU 779 Cb -0.13 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1ps3 s LEU 779 CO -0.13 -1.16 0.40 -0.69 -1.32 0.00 0.00 176.35 173.45 1ps3 s VAL 780 N 2.87 5.15 -0.40 1.68 1.01 0.41 -1.83 120.40 129.29 1ps3 s VAL 780 Ca 0.13 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1ps3 s VAL 780 Cb -0.23 -3.75 0.13 0.00 0.00 0.00 0.00 36.38 32.53 1ps3 s VAL 780 CO 0.07 0.10 0.21 -0.62 0.00 0.00 0.00 175.10 174.86 1ps3 s ASP 781 N 1.65 3.50 0.00 3.32 3.68 0.04 -1.75 116.67 127.11 1ps3 s ASP 781 Ca 0.16 -2.36 0.14 0.00 2.13 0.00 0.00 52.55 52.61 1ps3 s ASP 781 Cb -0.16 -0.83 0.82 0.00 -1.45 0.00 0.00 42.92 41.31 1ps3 s ASP 781 CO 0.10 -0.30 1.26 0.00 0.13 0.00 0.00 175.17 176.37 1ps3 n ILE 782 N 3.87 0.06 0.00 4.11 3.06 -1.26 -4.36 119.36 124.84 1ps3 n ILE 782 Ca 0.08 0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 1ps3 n ILE 782 Cb 0.36 -0.80 0.00 0.00 0.54 0.00 0.00 39.64 39.74 1ps3 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ps3 n GLY 783 N -0.13 2.65 1.47 4.50 0.00 -1.26 -1.96 105.19 110.46 1ps3 n GLY 783 Ca 0.10 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1ps3 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ps3 n SER 784 N 2.14 4.85 -4.57 1.61 3.41 -1.26 -4.90 113.62 114.90 1ps3 n SER 784 Ca 0.00 -2.82 -0.29 0.00 -0.26 0.00 0.00 58.87 55.50 1ps3 n SER 784 Cb 0.00 -0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 63.30 1ps3 n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ps3 s LEU 785 N -2.51 3.18 0.59 1.04 1.02 -0.83 -4.96 118.68 116.22 1ps3 s LEU 785 Ca 0.49 -1.18 -0.17 0.00 0.02 0.00 0.00 54.13 53.28 1ps3 s LEU 785 Cb 0.36 -2.57 -0.03 0.00 0.02 0.00 0.00 46.19 43.97 1ps3 s LEU 785 CO 0.16 -2.71 1.10 -1.81 0.02 0.00 0.00 176.35 173.11 1ps3 s ASP 786 N 7.06 5.54 -1.33 2.29 1.01 -1.26 -3.68 116.67 126.31 1ps3 s ASP 786 Ca 0.67 2.01 -0.03 0.00 0.71 0.00 0.00 52.55 55.92 1ps3 s ASP 786 Cb -0.03 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 1ps3 s ASP 786 CO 0.04 -1.33 0.59 0.59 0.21 0.00 0.00 175.17 175.26 1ps3 n ASN 787 N -1.85 -1.36 -3.84 0.27 3.02 0.80 -4.98 115.26 107.32 1ps3 n ASN 787 Ca 0.10 -0.93 -0.13 0.00 -0.03 0.00 0.00 54.58 53.60 1ps3 n ASN 787 Cb 0.52 -3.54 -0.15 0.00 -0.61 0.00 0.00 39.78 36.00 1ps3 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ps3 s THR 788 N -3.77 -0.02 -0.13 3.41 2.01 -0.79 -3.91 115.64 112.45 1ps3 s THR 788 Ca 0.07 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1ps3 s THR 788 Cb -0.02 -0.04 0.02 0.00 0.01 0.00 0.00 72.50 72.47 1ps3 s THR 788 CO 0.85 0.03 -0.14 -1.61 -0.69 0.00 0.00 174.62 173.06 1ps3 s GLU 789 N 0.34 2.16 -0.22 4.92 2.02 -0.49 -1.44 118.70 125.99 1ps3 s GLU 789 Ca -0.03 -0.52 -0.16 0.00 0.02 0.00 0.00 54.97 54.28 1ps3 s GLU 789 Cb -0.04 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1ps3 s GLU 789 CO -0.01 -0.19 0.42 0.42 0.02 0.00 0.00 175.26 175.92 1ps3 s ILE 790 N 1.36 5.17 0.04 -1.63 1.01 -0.44 -0.19 121.20 126.52 1ps3 s ILE 790 Ca 0.01 0.73 0.09 0.00 0.00 0.00 0.00 60.65 61.48 1ps3 s ILE 790 Cb -0.13 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1ps3 s ILE 790 CO -0.08 0.21 -0.25 0.54 0.00 0.00 0.00 174.94 175.37 1ps3 s VAL 791 N 1.60 2.29 -0.22 2.92 0.11 -0.30 0.17 120.40 126.97 1ps3 s VAL 791 Ca 0.19 -1.34 -0.06 0.00 -2.93 0.00 0.00 61.98 57.84 1ps3 s VAL 791 Cb -0.15 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.76 1ps3 s VAL 791 CO 0.09 0.36 0.02 -0.32 -3.33 0.00 0.00 175.10 171.92 1ps3 s MET 792 N -1.28 3.62 0.08 1.54 1.75 -0.66 -1.43 119.30 122.92 1ps3 s MET 792 Ca 0.12 -0.51 0.09 0.00 -1.25 0.00 0.00 55.69 54.15 1ps3 s MET 792 Cb -0.10 -3.15 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 1ps3 s MET 792 CO 0.03 -0.06 -0.24 0.50 -0.65 0.00 0.00 175.02 174.60 1ps3 s ARG 793 N 1.22 1.71 -0.16 4.11 3.52 0.57 -1.06 118.95 128.87 1ps3 s ARG 793 Ca 0.04 -1.18 0.00 0.00 -0.13 0.00 0.00 55.73 54.46 1ps3 s ARG 793 Cb -0.15 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 1ps3 s ARG 793 CO 0.02 0.49 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.33 1ps3 s LEU 794 N -1.70 2.43 -0.15 -0.88 1.43 0.13 -0.90 118.68 119.03 1ps3 s LEU 794 Ca 0.14 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1ps3 s LEU 794 Cb -0.10 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 1ps3 s LEU 794 CO 0.05 0.07 -0.08 -1.61 0.23 0.00 0.00 176.35 175.01 1ps3 s GLU 795 N 0.90 3.50 0.23 1.70 2.02 0.17 -1.89 118.70 125.33 1ps3 s GLU 795 Ca -0.04 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.39 1ps3 s GLU 795 Cb -0.15 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 1ps3 s GLU 795 CO -0.02 0.16 0.19 0.25 0.02 0.00 0.00 175.26 175.86 1ps3 n THR 796 N 3.72 0.00 0.00 3.63 -2.24 -0.48 -1.27 114.28 117.64 1ps3 n THR 796 Ca -0.18 -1.65 0.08 0.00 -2.27 0.00 0.00 64.05 60.03 1ps3 n THR 796 Cb 0.52 0.81 0.18 0.00 -2.10 0.00 0.00 70.33 69.74 1ps3 n THR 796 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ps3 n HIS 797 N -0.44 0.48 -1.71 4.78 8.25 -1.26 -4.66 115.22 120.66 1ps3 n HIS 797 Ca 0.05 -0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 56.72 1ps3 n HIS 797 Cb 0.41 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 1ps3 n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ps3 n ILE 798 N 0.94 0.04 -1.65 1.59 5.41 -1.26 -4.85 119.36 119.58 1ps3 n ILE 798 Ca 0.15 -0.01 -0.40 0.00 1.00 0.00 0.00 62.75 63.49 1ps3 n ILE 798 Cb 0.47 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.42 1ps3 n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ps3 n ASP 799 N 4.11 6.94 0.22 4.38 4.64 -1.26 -2.54 116.55 133.04 1ps3 n ASP 799 Ca 0.16 -2.80 0.12 0.00 -1.38 0.00 0.00 54.79 50.89 1ps3 n ASP 799 Cb 0.35 -1.54 0.17 0.00 -1.04 0.00 0.00 41.12 39.06 1ps3 n ASP 799 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1ps3 h SER 800 N 5.28 0.00 0.00 1.67 4.64 -1.89 -3.41 113.55 119.84 1ps3 h SER 800 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1ps3 h SER 800 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1ps3 h SER 800 CO 1.75 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 178.34 1ps3 n GLY 801 N 1.08 3.18 0.47 -0.77 0.00 -1.26 -2.34 105.19 105.55 1ps3 n GLY 801 Ca 0.04 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1ps3 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ps3 n ASP 802 N 9.17 3.01 -4.65 1.61 3.85 -1.26 -3.33 116.55 124.95 1ps3 n ASP 802 Ca 0.00 -2.82 -0.34 0.00 -0.71 0.00 0.00 54.79 50.91 1ps3 n ASP 802 Cb 0.00 -0.41 -0.10 0.00 -1.35 0.00 0.00 41.12 39.26 1ps3 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1ps3 s ILE 803 N -2.45 4.09 0.21 2.12 -1.09 -0.99 0.32 121.20 123.41 1ps3 s ILE 803 Ca 0.32 -0.34 -0.19 0.00 -2.23 0.00 0.00 60.65 58.21 1ps3 s ILE 803 Cb 0.26 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 38.46 1ps3 s ILE 803 CO 0.07 0.59 0.58 0.72 -1.23 0.00 0.00 174.94 175.67 1ps3 s PHE 804 N -0.87 -0.18 0.02 3.97 -0.12 -0.72 -4.74 117.98 115.34 1ps3 s PHE 804 Ca 0.13 -0.17 0.06 0.00 -0.05 0.00 0.00 56.93 56.90 1ps3 s PHE 804 Cb -0.11 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.74 1ps3 s PHE 804 CO 0.02 -0.99 -0.17 0.71 -0.05 0.00 0.00 175.22 174.74 1ps3 s TYR 805 N -3.87 1.53 0.06 3.49 1.51 -0.21 0.60 117.35 120.46 1ps3 s TYR 805 Ca 0.09 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1ps3 s TYR 805 Cb -0.02 -0.94 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1ps3 s TYR 805 CO -0.02 0.03 -0.05 0.95 -1.11 0.00 0.00 175.55 175.35 1ps3 s THR 806 N -0.64 0.38 0.39 -0.71 -4.23 -1.03 -1.18 115.64 108.63 1ps3 s THR 806 Ca 0.06 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1ps3 s THR 806 Cb -0.08 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 1ps3 s THR 806 CO 0.01 -0.81 0.57 1.51 -0.54 0.00 0.00 174.62 175.35 1ps3 s ASP 807 N -2.57 5.90 -0.23 3.99 3.84 -0.95 -0.68 116.67 125.96 1ps3 s ASP 807 Ca 0.03 0.04 0.02 0.00 -0.00 0.00 0.00 52.55 52.64 1ps3 s ASP 807 Cb 0.02 -1.38 0.05 0.00 -1.38 0.00 0.00 42.92 40.23 1ps3 s ASP 807 CO -0.06 -0.57 -0.13 -0.76 -0.00 0.00 0.00 175.17 173.66 1ps3 s LEU 808 N -4.36 2.92 -1.20 2.11 1.43 0.10 -4.38 118.68 115.31 1ps3 s LEU 808 Ca 0.47 -1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 1ps3 s LEU 808 Cb -0.10 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1ps3 s LEU 808 CO 0.34 -0.14 0.09 0.59 0.23 0.00 0.00 176.35 177.46 1ps3 n ASN 809 N 4.52 -4.25 -1.46 2.29 3.02 -1.26 -1.13 115.26 116.99 1ps3 n ASN 809 Ca -0.16 0.08 -0.19 0.00 -0.03 0.00 0.00 54.58 54.29 1ps3 n ASN 809 Cb 0.45 -3.58 -0.08 0.00 -0.61 0.00 0.00 39.78 35.96 1ps3 n ASN 809 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ps3 n GLY 810 N -0.91 1.74 0.06 7.41 0.00 -1.26 -0.46 105.19 111.77 1ps3 n GLY 810 Ca -0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 1ps3 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ps3 n LEU 811 N -2.15 2.59 -3.79 0.99 7.94 -0.28 -4.88 117.00 117.41 1ps3 n LEU 811 Ca -0.19 -0.06 -0.10 0.00 -1.11 0.00 0.00 56.01 54.56 1ps3 n LEU 811 Cb 0.62 -0.33 -0.07 0.00 0.53 0.00 0.00 43.42 44.17 1ps3 n LEU 811 CO 0.28 0.64 -0.02 0.00 -1.11 0.00 0.00 177.39 177.18 1ps3 s GLN 812 N -2.24 0.85 -0.16 1.96 -2.07 -1.19 -4.98 119.66 111.83 1ps3 s GLN 812 Ca -0.14 -0.75 -0.04 0.00 -1.82 0.00 0.00 55.36 52.61 1ps3 s GLN 812 Cb 0.04 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 1ps3 s GLN 812 CO 0.29 -0.28 -0.03 -0.06 -1.32 0.00 0.00 175.29 173.89 1ps3 s PHE 813 N -3.31 3.03 -0.03 9.60 0.40 -1.26 0.00 117.98 126.42 1ps3 s PHE 813 Ca 0.00 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1ps3 s PHE 813 Cb 0.02 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 1ps3 s PHE 813 CO -0.08 -0.05 -0.15 -1.50 0.70 0.00 0.00 175.22 174.14 1ps3 s ILE 814 N 0.41 3.01 0.12 0.64 2.07 0.14 -2.37 121.20 125.22 1ps3 s ILE 814 Ca -0.04 -0.83 -0.30 0.00 -1.41 0.00 0.00 60.65 58.07 1ps3 s ILE 814 Cb -0.14 -2.20 -0.07 0.00 0.13 0.00 0.00 42.46 40.18 1ps3 s ILE 814 CO 0.03 0.53 1.20 -0.75 -1.91 0.00 0.00 174.94 174.04 1ps3 s LYS 815 N -0.91 4.46 0.12 3.50 2.20 -0.21 -2.47 119.74 126.43 1ps3 s LYS 815 Ca 0.12 1.82 0.09 0.00 -0.36 0.00 0.00 55.97 57.65 1ps3 s LYS 815 Cb -0.11 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1ps3 s LYS 815 CO 0.02 -0.18 -0.20 1.03 -0.36 0.00 0.00 175.35 175.66 1ps3 s ARG 816 N 0.50 1.70 -0.11 4.03 1.81 0.20 -4.98 118.95 122.10 1ps3 s ARG 816 Ca 0.56 -1.23 -0.00 0.00 -1.72 0.00 0.00 55.73 53.34 1ps3 s ARG 816 Cb -0.31 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.15 1ps3 s ARG 816 CO 0.32 0.47 -0.07 0.50 -0.68 0.00 0.00 175.30 175.84 1ps3 s ARG 817 N -2.17 1.49 0.18 3.54 3.52 -1.26 -1.75 118.95 122.51 1ps3 s ARG 817 Ca 0.17 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.22 1ps3 s ARG 817 Cb -0.10 -1.56 -0.10 0.00 -1.56 0.00 0.00 34.95 31.63 1ps3 s ARG 817 CO 0.09 -0.26 1.51 0.50 -0.81 0.00 0.00 175.30 176.33 1ps3 s ARG 818 N 1.70 4.24 -0.25 5.12 3.52 0.15 -4.98 118.95 128.44 1ps3 s ARG 818 Ca 0.05 2.31 0.02 0.00 -0.13 0.00 0.00 55.73 57.97 1ps3 s ARG 818 Cb -0.13 -3.15 0.05 0.00 -1.56 0.00 0.00 34.95 30.16 1ps3 s ARG 818 CO -0.08 -0.53 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.27 1ps3 s LEU 819 N 0.69 3.34 0.00 -0.88 1.43 -1.26 -4.92 118.68 117.07 1ps3 s LEU 819 Ca 0.66 -1.26 0.21 0.00 -1.03 0.00 0.00 54.13 52.70 1ps3 s LEU 819 Cb -0.42 -1.57 0.99 0.00 0.03 0.00 0.00 46.19 45.21 1ps3 s LEU 819 CO 0.35 -0.17 1.66 0.47 0.23 0.00 0.00 176.35 178.88 1ps3 n ASP 820 N 4.49 0.00 -0.04 2.29 8.00 -1.26 -1.86 116.55 128.17 1ps3 n ASP 820 Ca -0.15 0.16 0.14 0.00 0.71 0.00 0.00 54.79 55.66 1ps3 n ASP 820 Cb 0.43 -0.36 0.67 0.00 -0.02 0.00 0.00 41.12 41.85 1ps3 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ps3 n LYS 821 N -1.36 0.47 -4.44 -1.24 2.85 -1.26 -4.75 118.16 108.44 1ps3 n LYS 821 Ca 0.08 -0.09 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 1ps3 n LYS 821 Cb 0.19 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.95 1ps3 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ps3 s LEU 822 N -2.59 2.67 0.88 -5.58 1.43 -0.78 -5.04 118.68 109.68 1ps3 s LEU 822 Ca 0.27 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1ps3 s LEU 822 Cb 0.20 -1.54 0.12 0.00 0.03 0.00 0.00 46.19 45.00 1ps3 s LEU 822 CO 0.48 0.21 1.12 -2.16 0.23 0.00 0.00 176.35 176.23 1ps3 s PRO 823 N -1.88 1.31 0.21 1.29 0.04 -1.26 -4.87 135.00 129.85 1ps3 s PRO 823 Ca 0.17 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 1ps3 s PRO 823 Cb -0.11 -1.77 0.20 0.00 0.04 0.00 0.00 34.50 32.86 1ps3 s PRO 823 CO 0.08 -2.37 1.59 1.25 0.04 0.00 0.00 177.00 177.60 1ps3 h LEU 824 N -1.67 -1.00 -2.72 -3.56 6.46 -1.96 -0.28 115.31 110.58 1ps3 h LEU 824 Ca -0.44 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1ps3 h LEU 824 Cb 1.26 0.54 -0.00 0.00 -0.73 0.00 0.00 40.66 41.73 1ps3 h LEU 824 CO 0.45 -0.28 0.06 0.06 -0.62 0.00 0.00 178.44 178.11 1ps3 h GLN 825 N -0.09 0.00 0.00 1.25 -0.00 -1.91 0.52 115.11 114.87 1ps3 h GLN 825 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 1ps3 h GLN 825 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.03 1ps3 h GLN 825 CO -0.73 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.10 1ps3 h ALA 826 N 1.90 1.00 -0.30 0.06 0.00 -1.38 -3.03 119.26 117.52 1ps3 h ALA 826 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ps3 h ALA 826 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ps3 h ALA 826 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1ps3 n ASN 827 N -3.06 2.15 -4.80 0.00 3.02 0.17 -4.61 115.26 108.13 1ps3 n ASN 827 Ca 0.03 -1.86 -0.38 0.00 -0.03 0.00 0.00 54.58 52.34 1ps3 n ASN 827 Cb 0.45 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.37 1ps3 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ps3 s TYR 828 N -1.61 3.69 0.20 3.10 1.51 -1.15 -4.59 117.35 118.51 1ps3 s TYR 828 Ca 0.32 1.05 0.04 0.00 -1.01 0.00 0.00 57.07 57.47 1ps3 s TYR 828 Cb 0.17 -2.43 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 1ps3 s TYR 828 CO 0.24 0.49 -0.03 0.71 -1.11 0.00 0.00 175.55 175.85 1ps3 s TYR 829 N -0.61 1.47 0.30 2.71 1.51 0.19 -4.71 117.35 118.21 1ps3 s TYR 829 Ca 0.26 -0.88 -0.29 0.00 -1.01 0.00 0.00 57.07 55.15 1ps3 s TYR 829 Cb -0.17 -0.82 -0.10 0.00 -0.11 0.00 0.00 41.96 40.76 1ps3 s TYR 829 CO 0.14 -0.01 1.25 -2.14 -1.11 0.00 0.00 175.55 173.69 1ps3 s PRO 830 N -3.83 4.44 -0.66 -1.71 0.02 -1.26 -1.89 135.00 130.11 1ps3 s PRO 830 Ca 0.25 2.09 0.06 0.00 0.02 0.00 0.00 61.00 63.41 1ps3 s PRO 830 Cb 0.05 -3.12 0.23 0.00 0.02 0.00 0.00 34.50 31.67 1ps3 s PRO 830 CO 0.06 -0.09 0.67 -0.89 -0.33 0.00 0.00 177.00 176.43 1ps3 n ILE 831 N 1.14 2.12 0.23 2.83 2.08 0.58 -4.52 119.36 123.83 1ps3 n ILE 831 Ca 0.00 -5.11 0.06 0.00 0.56 0.00 0.00 62.75 58.27 1ps3 n ILE 831 Cb 0.43 -2.12 0.54 0.00 -0.75 0.00 0.00 39.64 37.73 1ps3 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1ps3 h PRO 832 N 4.53 0.00 0.00 0.38 0.13 -1.78 -2.82 132.00 132.43 1ps3 h PRO 832 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1ps3 h PRO 832 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1ps3 h PRO 832 CO 0.80 0.17 0.00 -1.13 -0.23 0.00 0.00 178.00 177.61 1ps3 n SER 833 N -4.24 0.00 -3.60 1.44 3.41 -1.26 -3.96 113.62 105.42 1ps3 n SER 833 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.59 1ps3 n SER 833 Cb 0.24 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1ps3 n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ps3 s GLY 834 N 0.00 -0.37 0.07 5.00 0.00 -1.26 -0.45 107.32 110.30 1ps3 s GLY 834 Ca 0.00 1.26 -0.21 0.00 0.00 0.00 0.00 44.72 45.77 1ps3 s GLY 834 CO 0.00 0.34 0.51 -3.16 0.00 0.00 0.00 173.10 170.79 1ps3 s MET 835 N -2.15 1.07 0.12 2.90 0.23 -0.60 -2.25 119.30 118.63 1ps3 s MET 835 Ca 0.13 -0.34 -0.24 0.00 -1.03 0.00 0.00 55.69 54.21 1ps3 s MET 835 Cb 0.04 0.49 0.07 0.00 -1.53 0.00 0.00 34.83 33.90 1ps3 s MET 835 CO -0.05 -0.40 0.62 -0.59 -2.03 0.00 0.00 175.02 172.57 1ps3 s PHE 836 N -2.82 -0.55 0.11 3.16 -0.12 -0.32 -0.77 117.98 116.67 1ps3 s PHE 836 Ca -0.03 0.43 0.06 0.00 -0.05 0.00 0.00 56.93 57.34 1ps3 s PHE 836 Cb -0.00 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1ps3 s PHE 836 CO -0.05 -0.80 -0.14 0.96 -0.05 0.00 0.00 175.22 175.14 1ps3 s ILE 837 N -3.37 1.30 0.14 -4.49 -4.36 -0.93 -1.05 121.20 108.43 1ps3 s ILE 837 Ca -0.00 -1.64 -0.24 0.00 -0.26 0.00 0.00 60.65 58.51 1ps3 s ILE 837 Cb -0.01 -1.45 0.07 0.00 1.25 0.00 0.00 42.46 42.32 1ps3 s ILE 837 CO -0.10 -0.38 0.62 -1.83 0.24 0.00 0.00 174.94 173.50 1ps3 s GLU 838 N -2.49 1.24 0.00 0.37 -1.05 -1.26 -1.30 118.70 114.20 1ps3 s GLU 838 Ca 0.07 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 1ps3 s GLU 838 Cb -0.06 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1ps3 s GLU 838 CO 0.03 -0.53 0.00 -0.40 0.95 0.00 0.00 175.26 175.30 1ps3 n ASP 839 N -0.30 1.22 0.04 0.83 5.68 -0.20 -4.14 116.55 119.67 1ps3 n ASP 839 Ca -0.17 -0.02 0.04 0.00 -0.50 0.00 0.00 54.79 54.15 1ps3 n ASP 839 Cb 0.64 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.08 1ps3 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ps3 h ALA 840 N 1.00 1.74 0.00 2.12 0.00 -1.97 -3.35 119.26 118.80 1ps3 h ALA 840 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ps3 h ALA 840 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ps3 h ALA 840 CO 0.00 0.24 -1.17 0.09 0.00 0.00 0.00 179.25 178.41 1ps3 n ASN 841 N -4.48 4.25 -4.17 0.00 3.02 -1.26 -3.64 115.26 108.98 1ps3 n ASN 841 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.36 1ps3 n ASN 841 Cb 0.06 0.98 -0.14 0.00 -0.61 0.00 0.00 39.78 40.08 1ps3 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ps3 s THR 842 N -2.18 1.26 0.01 3.41 2.01 -1.26 -0.44 115.64 118.45 1ps3 s THR 842 Ca -0.01 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1ps3 s THR 842 Cb 0.02 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1ps3 s THR 842 CO 0.13 0.09 -0.07 -0.60 -0.69 0.00 0.00 174.62 173.48 1ps3 s ARG 843 N -1.07 0.53 -0.16 4.92 3.52 -0.30 -1.04 118.95 125.36 1ps3 s ARG 843 Ca 0.03 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 1ps3 s ARG 843 Cb -0.08 -0.47 0.03 0.00 -1.56 0.00 0.00 34.95 32.87 1ps3 s ARG 843 CO 0.01 0.12 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.32 1ps3 s LEU 844 N -0.56 1.84 -0.11 -0.88 2.96 -0.42 -1.23 118.68 120.28 1ps3 s LEU 844 Ca -0.01 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1ps3 s LEU 844 Cb -0.05 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 1ps3 s LEU 844 CO 0.00 -0.08 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.92 1ps3 s THR 845 N 1.47 3.04 -0.25 3.68 2.01 0.22 -2.20 115.64 123.61 1ps3 s THR 845 Ca 0.03 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1ps3 s THR 845 Cb -0.14 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1ps3 s THR 845 CO -0.10 0.54 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.09 1ps3 s LEU 846 N 0.04 3.21 0.01 4.42 2.96 0.05 -0.68 118.68 128.70 1ps3 s LEU 846 Ca -0.05 -0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 52.91 1ps3 s LEU 846 Cb -0.14 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1ps3 s LEU 846 CO 0.04 -0.13 0.24 -0.76 -1.32 0.00 0.00 176.35 174.43 1ps3 s LEU 847 N 1.32 4.36 0.18 -0.68 2.01 -0.12 -1.55 118.68 124.19 1ps3 s LEU 847 Ca -0.00 0.49 0.11 0.00 0.01 0.00 0.00 54.13 54.73 1ps3 s LEU 847 Cb -0.17 -2.69 -0.04 0.00 0.01 0.00 0.00 46.19 43.30 1ps3 s LEU 847 CO -0.04 0.24 -0.23 0.42 1.01 0.00 0.00 176.35 177.75 1ps3 s THR 848 N -1.33 2.23 -1.48 5.49 -4.23 0.40 -2.08 115.64 114.63 1ps3 s THR 848 Ca 0.28 -1.96 0.18 0.00 -1.18 0.00 0.00 61.69 59.01 1ps3 s THR 848 Cb -0.13 -2.04 0.54 0.00 1.34 0.00 0.00 72.50 72.22 1ps3 s THR 848 CO 0.17 -0.12 1.46 0.61 -0.54 0.00 0.00 174.62 176.20 1ps3 n GLY 849 N 0.39 2.67 3.52 3.99 0.00 -0.55 -4.70 105.19 110.50 1ps3 n GLY 849 Ca -0.14 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 1ps3 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ps3 s GLN 850 N -1.15 0.98 0.06 1.61 0.00 -1.26 -4.76 119.66 115.14 1ps3 s GLN 850 Ca 0.41 0.38 -0.30 0.00 -0.00 0.00 0.00 55.36 55.85 1ps3 s GLN 850 Cb 0.22 0.46 -0.05 0.00 0.00 0.00 0.00 33.01 33.65 1ps3 s GLN 850 CO 0.26 -0.27 1.04 -1.25 0.00 0.00 0.00 175.29 175.07 1ps3 s PRO 851 N -0.86 4.56 0.19 9.60 0.04 -1.25 -4.73 135.00 142.55 1ps3 s PRO 851 Ca -0.09 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.43 1ps3 s PRO 851 Cb -0.01 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1ps3 s PRO 851 CO 0.08 -0.03 0.26 -0.51 0.04 0.00 0.00 177.00 176.84 1ps3 s LEU 852 N 0.65 0.95 0.20 -3.56 1.43 -1.06 -4.76 118.68 112.51 1ps3 s LEU 852 Ca 0.52 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 1ps3 s LEU 852 Cb -0.24 0.98 -0.07 0.00 0.03 0.00 0.00 46.19 46.89 1ps3 s LEU 852 CO 0.29 -0.92 0.57 -0.83 0.23 0.00 0.00 176.35 175.69 1ps3 s GLY 853 N -3.05 2.38 0.31 -3.19 0.00 -1.03 -0.30 107.32 102.43 1ps3 s GLY 853 Ca 0.26 -0.17 -0.13 0.00 0.00 0.00 0.00 44.72 44.68 1ps3 s GLY 853 CO 0.06 0.04 0.68 0.61 0.00 0.00 0.00 173.10 174.50 1ps3 n GLY 854 N 0.32 1.10 1.61 0.20 0.00 -0.79 -0.05 105.19 107.58 1ps3 n GLY 854 Ca -0.02 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.80 1ps3 n GLY 854 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ps3 n SER 855 N -1.41 -0.53 -3.56 1.61 2.88 -0.39 -0.64 113.62 111.59 1ps3 n SER 855 Ca -0.07 -1.15 -0.29 0.00 -1.33 0.00 0.00 58.87 56.03 1ps3 n SER 855 Cb 0.49 0.83 -0.14 0.00 -0.75 0.00 0.00 64.21 64.65 1ps3 n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ps3 s SER 856 N -2.12 3.41 0.00 -3.46 0.15 -1.26 -1.24 113.70 109.18 1ps3 s SER 856 Ca 0.12 -1.80 0.28 0.00 0.70 0.00 0.00 55.95 55.25 1ps3 s SER 856 Cb -0.00 -0.51 1.05 0.00 -1.71 0.00 0.00 66.02 64.85 1ps3 s SER 856 CO 0.00 -0.37 1.79 0.18 1.20 0.00 0.00 173.24 176.04 1ps3 n LEU 857 N 4.58 0.16 -3.65 3.45 4.77 -1.26 -4.82 117.00 120.23 1ps3 n LEU 857 Ca 0.03 0.33 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 1ps3 n LEU 857 Cb 0.39 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1ps3 n LEU 857 CO 0.11 0.04 0.17 0.00 -1.33 0.00 0.00 177.39 176.37 1ps3 s ALA 858 N -2.95 -1.03 0.16 -1.18 0.00 -1.26 -5.09 121.76 110.41 1ps3 s ALA 858 Ca 0.15 0.30 -0.34 0.00 0.00 0.00 0.00 51.96 52.06 1ps3 s ALA 858 Cb 0.19 0.39 -0.14 0.00 0.00 0.00 0.00 23.12 23.56 1ps3 s ALA 858 CO 0.57 -0.48 1.56 0.45 0.00 0.00 0.00 175.76 177.86 1ps3 n SER 859 N 0.42 3.05 0.00 0.00 2.88 -1.21 -1.61 113.62 117.15 1ps3 n SER 859 Ca -0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1ps3 n SER 859 Cb 0.60 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1ps3 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ps3 n GLY 860 N 3.33 0.82 3.73 0.46 0.00 -1.05 -4.87 105.19 107.60 1ps3 n GLY 860 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1ps3 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ps3 s GLU 861 N -0.22 2.64 -0.09 1.61 2.02 -0.63 -1.39 118.70 122.65 1ps3 s GLU 861 Ca 0.00 -1.09 -0.07 0.00 0.02 0.00 0.00 54.97 53.83 1ps3 s GLU 861 Cb 0.00 -2.45 0.03 0.00 0.10 0.00 0.00 34.13 31.81 1ps3 s GLU 861 CO 0.00 0.43 0.22 -0.51 0.02 0.00 0.00 175.26 175.42 1ps3 s LEU 862 N -3.34 0.96 -0.03 1.80 1.43 -0.79 -4.52 118.68 114.18 1ps3 s LEU 862 Ca 0.30 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.75 1ps3 s LEU 862 Cb -0.09 0.72 0.02 0.00 0.03 0.00 0.00 46.19 46.87 1ps3 s LEU 862 CO 0.22 -0.10 0.24 -1.83 0.23 0.00 0.00 176.35 175.11 1ps3 s GLU 863 N 0.46 0.50 -0.07 1.70 -1.05 -0.37 0.17 118.70 120.04 1ps3 s GLU 863 Ca -0.03 -0.09 -0.03 0.00 -0.15 0.00 0.00 54.97 54.68 1ps3 s GLU 863 Cb -0.04 0.22 0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1ps3 s GLU 863 CO -0.02 -0.12 0.15 -1.50 0.95 0.00 0.00 175.26 174.72 1ps3 s ILE 864 N -0.90 -0.09 0.28 1.83 2.07 -0.22 -1.26 121.20 122.90 1ps3 s ILE 864 Ca -0.10 0.21 -0.29 0.00 -1.41 0.00 0.00 60.65 59.06 1ps3 s ILE 864 Cb -0.05 -0.25 -0.10 0.00 0.13 0.00 0.00 42.46 42.19 1ps3 s ILE 864 CO 0.02 0.09 1.31 -0.32 -1.91 0.00 0.00 174.94 174.13 1ps3 s MET 865 N 1.40 4.38 -0.21 3.50 -2.45 0.92 -1.65 119.30 125.19 1ps3 s MET 865 Ca -0.07 2.14 -0.06 0.00 -1.25 0.00 0.00 55.69 56.45 1ps3 s MET 865 Cb -0.12 -3.12 -0.20 0.00 1.25 0.00 0.00 34.83 32.64 1ps3 s MET 865 CO -0.06 -0.20 0.01 1.04 1.05 0.00 0.00 175.02 176.86 1ps3 n GLN 866 N 1.57 0.67 -3.60 4.11 1.13 0.13 -4.49 117.38 116.90 1ps3 n GLN 866 Ca 0.03 0.25 -0.05 0.00 -1.94 0.00 0.00 57.00 55.29 1ps3 n GLN 866 Cb 0.42 -1.61 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 1ps3 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1ps3 s ASP 867 N -6.88 -0.24 -0.11 1.08 -1.08 -1.22 -4.84 116.67 103.38 1ps3 s ASP 867 Ca -0.30 -0.12 -0.07 0.00 -0.52 0.00 0.00 52.55 51.54 1ps3 s ASP 867 Cb 0.09 0.35 0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1ps3 s ASP 867 CO 0.64 -0.59 0.27 0.00 0.52 0.00 0.00 175.17 176.01 1ps3 s ARG 868 N -2.97 0.25 -0.23 4.34 1.70 -1.26 -1.33 118.95 119.46 1ps3 s ARG 868 Ca 0.09 0.51 0.02 0.00 -0.47 0.00 0.00 55.73 55.87 1ps3 s ARG 868 Cb -0.00 -0.03 0.05 0.00 -0.57 0.00 0.00 34.95 34.39 1ps3 s ARG 868 CO -0.05 -0.13 -0.13 0.50 -1.08 0.00 0.00 175.30 174.42 1ps3 s ARG 869 N 0.95 2.33 -0.10 3.89 3.52 -0.52 -4.85 118.95 124.17 1ps3 s ARG 869 Ca -0.07 -1.11 0.03 0.00 -0.13 0.00 0.00 55.73 54.45 1ps3 s ARG 869 Cb -0.08 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.60 1ps3 s ARG 869 CO -0.06 -0.46 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.24 1ps3 s LEU 870 N 1.22 2.24 0.22 -0.88 1.43 -0.48 -0.14 118.68 122.28 1ps3 s LEU 870 Ca -0.04 -0.50 0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1ps3 s LEU 870 Cb -0.18 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.65 1ps3 s LEU 870 CO -0.08 0.17 1.43 0.00 0.23 0.00 0.00 176.35 178.11 1ps3 h ALA 871 N 6.64 0.61 -1.66 4.21 0.00 -1.87 0.34 119.26 127.53 1ps3 h ALA 871 Ca -0.22 -0.67 -0.58 0.00 0.00 0.00 0.00 54.91 53.44 1ps3 h ALA 871 Cb 1.23 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 1ps3 h ALA 871 CO 0.49 0.92 -0.53 -1.54 0.00 0.00 0.00 179.25 178.58 1ps3 s SER 872 N -6.63 4.28 0.30 0.00 1.04 -1.26 -4.31 113.70 107.12 1ps3 s SER 872 Ca 0.01 -1.12 -0.23 0.00 0.48 0.00 0.00 55.95 55.09 1ps3 s SER 872 Cb 0.10 -0.47 -0.09 0.00 0.10 0.00 0.00 66.02 65.65 1ps3 s SER 872 CO 0.77 -0.48 0.87 -0.62 0.98 0.00 0.00 173.24 174.76 1ps3 s ASP 873 N -3.84 7.20 -0.45 7.02 -1.08 -1.26 -3.88 116.67 120.38 1ps3 s ASP 873 Ca 0.39 1.67 0.04 0.00 -0.52 0.00 0.00 52.55 54.13 1ps3 s ASP 873 Cb 0.05 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.56 1ps3 s ASP 873 CO 0.21 -0.06 1.79 -0.90 0.52 0.00 0.00 175.17 176.73 1ps3 n ASP 874 N 0.48 4.27 -2.85 -0.34 5.68 -1.26 -4.79 116.55 117.74 1ps3 n ASP 874 Ca 0.01 -3.70 -0.18 0.00 -0.50 0.00 0.00 54.79 50.42 1ps3 n ASP 874 Cb 0.51 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 1ps3 n ASP 874 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ps3 n GLU 875 N -1.08 -3.02 -0.36 0.11 1.02 -1.26 -4.86 120.64 111.19 1ps3 n GLU 875 Ca 0.53 0.62 0.07 0.00 -0.02 0.00 0.00 57.16 58.36 1ps3 n GLU 875 Cb 1.28 -5.30 0.21 0.00 -0.02 0.00 0.00 31.44 27.61 1ps3 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ps3 n ARG 876 N -3.32 2.11 0.00 3.49 5.12 -1.26 -4.98 116.66 117.82 1ps3 n ARG 876 Ca -0.10 -2.82 0.00 0.00 -1.93 0.00 0.00 57.85 53.00 1ps3 n ARG 876 Cb 0.59 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1ps3 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ps3 n GLY 877 N -0.97 1.76 0.30 -0.13 0.00 -1.26 -4.96 105.19 99.93 1ps3 n GLY 877 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 1ps3 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ps3 h LEU 878 N 0.00 0.79 0.15 0.99 5.85 -1.93 -3.47 115.31 117.69 1ps3 h LEU 878 Ca 0.00 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1ps3 h LEU 878 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1ps3 h LEU 878 CO 0.00 0.82 -0.06 0.61 -0.34 0.00 0.00 178.44 179.47 1ps3 n GLY 879 N -0.72 0.63 3.58 3.75 0.00 -1.26 -4.85 105.19 106.32 1ps3 n GLY 879 Ca 0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 1ps3 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ps3 s GLN 880 N -1.89 1.20 0.00 1.61 -2.07 -1.26 -4.97 119.66 112.28 1ps3 s GLN 880 Ca 0.00 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 1ps3 s GLN 880 Cb 0.00 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.41 1ps3 s GLN 880 CO 0.00 -0.53 0.00 0.41 -1.32 0.00 0.00 175.29 173.85 1ps3 n GLY 881 N -0.37 1.04 3.01 2.60 0.00 -1.25 -4.20 105.19 106.02 1ps3 n GLY 881 Ca -0.10 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1ps3 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ps3 s VAL 882 N 1.37 2.65 -0.09 1.61 1.01 0.12 -4.88 120.40 122.19 1ps3 s VAL 882 Ca 0.00 -2.77 0.14 0.00 0.00 0.00 0.00 61.98 59.35 1ps3 s VAL 882 Cb 0.00 -2.86 0.21 0.00 0.00 0.00 0.00 36.38 33.72 1ps3 s VAL 882 CO 0.00 -0.72 1.10 0.18 0.00 0.00 0.00 175.10 175.66 1ps3 n LEU 883 N 3.75 2.05 -1.66 3.92 4.77 -1.26 -1.38 117.00 127.19 1ps3 n LEU 883 Ca 0.04 -2.67 -0.16 0.00 -0.03 0.00 0.00 56.01 53.20 1ps3 n LEU 883 Cb 0.38 -0.31 0.15 0.00 -2.33 0.00 0.00 43.42 41.31 1ps3 n LEU 883 CO 0.29 0.62 0.83 -0.90 -1.33 0.00 0.00 177.39 176.91 1ps3 n ASP 884 N -1.13 3.85 -4.75 -1.43 3.85 -1.26 -5.03 116.55 110.65 1ps3 n ASP 884 Ca 0.12 -3.76 -0.39 0.00 -0.71 0.00 0.00 54.79 50.05 1ps3 n ASP 884 Cb 0.57 -0.68 0.03 0.00 -1.35 0.00 0.00 41.12 39.70 1ps3 n ASP 884 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 1ps3 s ASN 885 N -2.39 5.44 0.02 -1.12 0.01 -1.26 -5.03 114.94 110.61 1ps3 s ASN 885 Ca 0.51 2.78 -0.02 0.00 -0.71 0.00 0.00 52.86 55.42 1ps3 s ASN 885 Cb 0.44 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 1ps3 s ASN 885 CO 0.02 -1.46 0.02 -1.59 -1.51 0.00 0.00 177.10 172.59 1ps3 s LYS 886 N -2.79 0.41 0.17 -0.60 -2.85 -1.26 -4.96 119.74 107.86 1ps3 s LYS 886 Ca 0.69 -0.63 -0.33 0.00 -1.00 0.00 0.00 55.97 54.69 1ps3 s LYS 886 Cb -0.41 0.15 -0.15 0.00 -2.06 0.00 0.00 37.83 35.37 1ps3 s LYS 886 CO 0.49 -0.08 1.29 -2.30 0.10 0.00 0.00 175.35 174.85 1ps3 n PRO 887 N 1.33 1.47 -3.98 1.78 -0.02 -1.26 -4.82 135.00 129.50 1ps3 n PRO 887 Ca -0.22 0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 61.66 1ps3 n PRO 887 Cb 0.56 -2.11 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 1ps3 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ps3 s VAL 888 N 0.05 0.18 -0.47 -1.45 0.11 -0.72 -4.92 120.40 113.18 1ps3 s VAL 888 Ca 0.74 -0.36 -0.12 0.00 -2.93 0.00 0.00 61.98 59.31 1ps3 s VAL 888 Cb -0.80 -0.21 0.09 0.00 -1.53 0.00 0.00 36.38 33.93 1ps3 s VAL 888 CO 0.49 -0.12 0.36 -0.22 -3.33 0.00 0.00 175.10 172.29 1ps3 s LEU 889 N -0.51 5.60 0.10 2.54 2.96 -1.26 -0.44 118.68 127.67 1ps3 s LEU 889 Ca -0.04 -1.58 -0.22 0.00 -0.22 0.00 0.00 54.13 52.07 1ps3 s LEU 889 Cb -0.04 -2.10 -0.07 0.00 0.50 0.00 0.00 46.19 44.49 1ps3 s LEU 889 CO -0.00 -0.66 0.65 -1.00 -1.32 0.00 0.00 176.35 174.01 1ps3 s HIS 890 N 1.51 3.83 0.08 5.38 3.76 -0.05 -4.91 115.29 124.89 1ps3 s HIS 890 Ca 0.04 1.40 0.08 0.00 -0.15 0.00 0.00 55.06 56.43 1ps3 s HIS 890 Cb -0.25 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 30.80 1ps3 s HIS 890 CO 0.03 0.53 -0.21 0.96 -0.85 0.00 0.00 174.74 175.21 1ps3 s ILE 891 N -1.01 1.70 0.27 0.60 -4.36 -1.26 -0.88 121.20 116.26 1ps3 s ILE 891 Ca 0.32 -1.41 -0.09 0.00 -0.26 0.00 0.00 60.65 59.21 1ps3 s ILE 891 Cb -0.21 -1.52 -0.00 0.00 1.25 0.00 0.00 42.46 41.98 1ps3 s ILE 891 CO 0.21 0.04 0.45 -0.31 0.24 0.00 0.00 174.94 175.58 1ps3 s TYR 892 N -1.02 0.62 -0.02 1.37 1.51 0.47 -1.49 117.35 118.80 1ps3 s TYR 892 Ca 0.07 -0.94 0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1ps3 s TYR 892 Cb -0.10 0.06 0.01 0.00 -0.11 0.00 0.00 41.96 41.83 1ps3 s TYR 892 CO 0.03 -1.01 -0.03 1.03 -1.11 0.00 0.00 175.55 174.46 1ps3 s ARG 893 N -3.73 0.47 -0.23 -0.62 1.81 -0.88 -1.27 118.95 114.50 1ps3 s ARG 893 Ca 0.26 -0.08 -0.02 0.00 -1.72 0.00 0.00 55.73 54.17 1ps3 s ARG 893 Cb 0.00 -0.52 0.01 0.00 -0.45 0.00 0.00 34.95 33.99 1ps3 s ARG 893 CO 0.12 -0.02 -0.06 -1.17 -0.68 0.00 0.00 175.30 173.49 1ps3 s LEU 894 N 0.50 3.01 -0.25 2.53 2.96 -0.86 -0.95 118.68 125.62 1ps3 s LEU 894 Ca -0.05 -0.68 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1ps3 s LEU 894 Cb -0.09 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 44.96 1ps3 s LEU 894 CO -0.01 -0.08 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.16 1ps3 s VAL 895 N 1.38 2.54 -0.21 1.68 1.01 0.14 -3.69 120.40 123.25 1ps3 s VAL 895 Ca 0.03 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 1ps3 s VAL 895 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1ps3 s VAL 895 CO -0.05 0.16 0.11 -0.22 0.00 0.00 0.00 175.10 175.10 1ps3 s LEU 896 N 1.25 3.96 0.04 3.92 2.96 -1.26 -0.61 118.68 128.93 1ps3 s LEU 896 Ca -0.02 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1ps3 s LEU 896 Cb -0.17 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1ps3 s LEU 896 CO -0.06 0.12 0.10 -1.61 -1.32 0.00 0.00 176.35 173.58 1ps3 s GLU 897 N 0.74 0.59 -0.04 1.98 2.02 -0.37 -5.02 118.70 118.60 1ps3 s GLU 897 Ca 0.06 -0.73 -0.20 0.00 0.02 0.00 0.00 54.97 54.12 1ps3 s GLU 897 Cb -0.13 0.23 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 1ps3 s GLU 897 CO 0.02 -0.15 0.57 0.15 0.02 0.00 0.00 175.26 175.87 1ps3 s LYS 898 N -2.56 4.32 -0.04 1.61 -0.14 -1.26 -1.14 119.74 120.52 1ps3 s LYS 898 Ca -0.05 0.66 0.06 0.00 -1.36 0.00 0.00 55.97 55.28 1ps3 s LYS 898 Cb -0.01 -3.37 0.10 0.00 -1.68 0.00 0.00 37.83 32.86 1ps3 s LYS 898 CO -0.04 0.29 0.96 1.33 -0.76 0.00 0.00 175.35 177.13 1ps3 n VAL 899 N 3.07 0.85 0.30 3.17 0.24 0.42 -4.76 118.33 121.62 1ps3 n VAL 899 Ca -0.07 -0.98 0.18 0.00 -2.04 0.00 0.00 64.34 61.43 1ps3 n VAL 899 Cb 0.51 0.34 0.84 0.00 -1.47 0.00 0.00 33.84 34.06 1ps3 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ps3 h ASN 900 N 0.00 0.00 -0.02 -1.34 -1.07 -1.62 -2.30 115.58 109.23 1ps3 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1ps3 h ASN 900 Cb 1.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.25 1ps3 h ASN 900 CO 0.00 0.00 -0.26 0.59 0.07 0.00 0.00 177.43 177.83 1ps3 n ASN 901 N -2.86 2.31 -4.77 6.14 3.02 -1.26 -4.97 115.26 112.86 1ps3 n ASN 901 Ca -0.01 -1.65 -0.38 0.00 -0.03 0.00 0.00 54.58 52.51 1ps3 n ASN 901 Cb 0.18 0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.57 1ps3 n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ps3 s VAL 903 N -1.43 4.09 0.28 0.00 1.01 -0.29 -4.99 120.40 119.07 1ps3 s VAL 903 Ca 0.47 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.82 1ps3 s VAL 903 Cb -0.22 -4.73 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 1ps3 s VAL 903 CO 0.28 -1.47 0.26 -0.13 0.00 0.00 0.00 175.10 174.04 1ps3 s ARG 904 N 4.73 2.94 0.81 2.72 0.52 -1.26 -4.49 118.95 124.93 1ps3 s ARG 904 Ca 0.32 -1.08 -0.11 0.00 -0.52 0.00 0.00 55.73 54.34 1ps3 s ARG 904 Cb -0.11 -2.59 0.08 0.00 0.52 0.00 0.00 34.95 32.85 1ps3 s ARG 904 CO 0.17 0.31 1.13 -2.14 0.02 0.00 0.00 175.30 174.79 1ps3 s PRO 905 N -3.92 1.84 1.10 3.54 0.02 -1.26 -4.91 135.00 131.41 1ps3 s PRO 905 Ca 0.36 1.41 -0.13 0.00 0.02 0.00 0.00 61.00 62.66 1ps3 s PRO 905 Cb -0.08 -1.83 0.25 0.00 0.02 0.00 0.00 34.50 32.86 1ps3 s PRO 905 CO 0.26 -1.99 1.06 -1.54 -0.33 0.00 0.00 177.00 174.46 1ps3 s SER 906 N -2.87 1.63 0.52 2.53 1.04 -1.26 -4.89 113.70 110.40 1ps3 s SER 906 Ca 0.66 1.28 0.20 0.00 0.48 0.00 0.00 55.95 58.57 1ps3 s SER 906 Cb -0.21 -2.00 1.34 0.00 0.10 0.00 0.00 66.02 65.26 1ps3 s SER 906 CO 0.54 -3.76 2.12 0.11 0.98 0.00 0.00 173.24 173.23 1ps3 h LYS 907 N -2.32 0.00 -0.00 4.02 1.57 -2.00 -2.49 116.57 115.35 1ps3 h LYS 907 Ca -0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1ps3 h LYS 907 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1ps3 h LYS 907 CO 0.54 0.07 -0.16 1.28 -0.57 0.00 0.00 179.45 180.61 1ps3 n LEU 908 N -4.21 0.54 -4.73 2.94 4.77 -1.26 -4.87 117.00 110.18 1ps3 n LEU 908 Ca -0.03 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1ps3 n LEU 908 Cb 0.15 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1ps3 n LEU 908 CO 0.33 0.10 0.88 -2.28 -1.33 0.00 0.00 177.39 175.09 1ps3 s HIS 909 N -2.55 3.44 -1.39 -1.77 2.46 -0.94 -4.93 115.29 109.60 1ps3 s HIS 909 Ca 0.26 1.40 0.30 0.00 0.47 0.00 0.00 55.06 57.49 1ps3 s HIS 909 Cb 0.20 -3.42 1.47 0.00 -0.13 0.00 0.00 32.58 30.69 1ps3 s HIS 909 CO 0.50 -1.21 2.03 -2.30 -2.47 0.00 0.00 174.74 171.29 1ps3 n PRO 910 N 2.76 0.39 -3.83 2.88 -0.02 -1.26 -4.90 135.00 131.03 1ps3 n PRO 910 Ca 0.05 -0.01 -0.22 0.00 -2.02 0.00 0.00 63.50 61.30 1ps3 n PRO 910 Cb 0.45 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.38 1ps3 n PRO 910 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ps3 s ALA 911 N -2.62 3.82 0.05 3.55 0.00 -1.26 -1.05 121.76 124.24 1ps3 s ALA 911 Ca 0.27 -1.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.32 1ps3 s ALA 911 Cb 0.20 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1ps3 s ALA 911 CO 0.47 -0.12 0.02 0.20 0.00 0.00 0.00 175.76 176.34 1ps3 s GLY 912 N -4.01 0.32 0.03 0.00 0.00 -1.00 -4.76 107.32 97.90 1ps3 s GLY 912 Ca 0.43 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 44.30 1ps3 s GLY 912 CO 0.26 -0.99 -0.08 -0.19 0.00 0.00 0.00 173.10 172.10 1ps3 s TYR 913 N -3.14 0.67 0.75 1.90 1.51 -1.26 -4.08 117.35 113.70 1ps3 s TYR 913 Ca -0.00 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.57 1ps3 s TYR 913 Cb 0.02 -0.41 0.04 0.00 -0.11 0.00 0.00 41.96 41.51 1ps3 s TYR 913 CO -0.07 -0.05 1.10 -0.51 -1.11 0.00 0.00 175.55 174.91 1ps3 s LEU 914 N -1.14 2.75 0.53 -1.29 1.43 -1.26 -4.71 118.68 114.99 1ps3 s LEU 914 Ca -0.05 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1ps3 s LEU 914 Cb -0.08 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.27 1ps3 s LEU 914 CO 0.00 -1.65 0.75 0.42 0.23 0.00 0.00 176.35 176.10 1ps3 s THR 915 N -3.27 2.79 0.18 5.49 -4.23 -1.26 -1.50 115.64 113.83 1ps3 s THR 915 Ca 0.59 -0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 1ps3 s THR 915 Cb -0.13 -3.03 0.07 0.00 1.34 0.00 0.00 72.50 70.75 1ps3 s THR 915 CO 0.53 -0.02 1.77 -1.28 -0.54 0.00 0.00 174.62 175.08 1ps3 h SER 916 N 0.15 0.28 -0.61 3.99 0.87 -1.94 -1.58 113.55 114.71 1ps3 h SER 916 Ca -0.42 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1ps3 h SER 916 Cb 1.29 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.21 1ps3 h SER 916 CO 0.52 0.20 0.33 0.00 -0.53 0.00 0.00 176.83 177.35 1ps3 h ALA 917 N 1.28 0.78 -0.56 6.23 0.00 -1.99 -0.98 119.26 124.02 1ps3 h ALA 917 Ca 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ps3 h ALA 917 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ps3 h ALA 917 CO -0.18 0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.45 1ps3 h ALA 918 N 1.16 0.75 -0.35 0.00 0.00 -1.87 -0.69 119.26 118.25 1ps3 h ALA 918 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ps3 h ALA 918 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ps3 h ALA 918 CO -0.03 0.51 0.07 1.25 0.00 0.00 0.00 179.25 181.04 1ps3 h HIS 919 N 0.83 0.61 -0.41 0.00 2.76 -1.09 -1.20 115.15 116.65 1ps3 h HIS 919 Ca 0.17 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1ps3 h HIS 919 Cb 0.43 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 1ps3 h HIS 919 CO 0.03 0.62 0.05 0.87 -1.30 0.00 0.00 177.93 178.21 1ps3 h LYS 920 N 0.41 0.63 -0.61 5.26 1.57 -1.03 -1.21 116.57 121.59 1ps3 h LYS 920 Ca 0.11 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1ps3 h LYS 920 Cb 0.34 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1ps3 h LYS 920 CO 0.01 0.61 0.11 0.00 -0.57 0.00 0.00 179.45 179.61 1ps3 h ALA 921 N 1.45 1.04 -0.47 3.86 0.00 -0.80 -0.84 119.26 123.51 1ps3 h ALA 921 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1ps3 h ALA 921 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ps3 h ALA 921 CO 0.00 0.62 0.11 1.03 0.00 0.00 0.00 179.25 181.02 1ps3 h SER 922 N 0.93 0.71 -0.10 0.00 0.87 -0.40 -2.52 113.55 113.04 1ps3 h SER 922 Ca 0.19 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1ps3 h SER 922 Cb 0.38 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1ps3 h SER 922 CO 0.01 0.76 -0.03 1.56 -0.53 0.00 0.00 176.83 178.60 1ps3 h GLN 923 N 0.63 0.31 0.00 2.24 4.20 -0.85 -0.72 115.11 120.92 1ps3 h GLN 923 Ca 0.15 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1ps3 h GLN 923 Cb 0.33 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1ps3 h GLN 923 CO 0.00 0.37 -0.23 0.66 -0.67 0.00 0.00 178.83 178.96 1ps3 h SER 924 N 0.31 0.00 0.11 1.46 4.64 -0.74 0.88 113.55 120.20 1ps3 h SER 924 Ca 0.07 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.11 1ps3 h SER 924 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1ps3 h SER 924 CO 0.01 0.23 -1.44 -0.07 -0.87 0.00 0.00 176.83 174.69 1ps3 h LEU 925 N 0.00 0.36 0.11 5.97 3.38 -0.99 -3.35 115.31 120.79 1ps3 h LEU 925 Ca -0.00 -0.84 -0.30 0.00 0.09 0.00 0.00 57.88 56.82 1ps3 h LEU 925 Cb 0.62 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ps3 h LEU 925 CO 0.03 1.62 -1.54 -0.07 0.09 0.00 0.00 178.44 178.58 1ps3 h LEU 926 N -0.32 0.35 -5.96 1.67 3.38 -1.14 -3.42 115.31 109.87 1ps3 h LEU 926 Ca -0.31 -0.50 -0.56 0.00 0.09 0.00 0.00 57.88 56.60 1ps3 h LEU 926 Cb 1.75 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 41.98 1ps3 h LEU 926 CO 0.04 1.42 -0.93 0.47 0.09 0.00 0.00 178.44 179.53 1ps3 n ASP 927 N -3.42 1.78 -4.70 -0.43 8.00 0.30 -4.65 116.55 113.42 1ps3 n ASP 927 Ca -0.16 -3.07 -0.29 0.00 0.71 0.00 0.00 54.79 51.98 1ps3 n ASP 927 Cb 1.04 -0.63 0.17 0.00 -0.02 0.00 0.00 41.12 41.67 1ps3 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ps3 s PRO 928 N -2.05 0.59 0.49 -0.24 0.04 -1.25 -4.73 135.00 127.85 1ps3 s PRO 928 Ca 0.39 0.45 -0.23 0.00 0.04 0.00 0.00 61.00 61.65 1ps3 s PRO 928 Cb 0.21 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.93 1ps3 s PRO 928 CO -0.08 -2.61 1.25 -0.51 0.04 0.00 0.00 177.00 175.09 1ps3 s LEU 929 N -6.35 3.96 -0.03 -3.56 1.43 -1.26 -4.79 118.68 108.07 1ps3 s LEU 929 Ca 0.65 2.51 -0.10 0.00 -1.03 0.00 0.00 54.13 56.16 1ps3 s LEU 929 Cb -0.18 -4.23 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 1ps3 s LEU 929 CO 0.56 -1.17 0.29 -1.81 0.23 0.00 0.00 176.35 174.46 1ps3 s ASP 930 N -1.16 6.61 -0.14 2.29 1.01 -0.15 -4.88 116.67 120.26 1ps3 s ASP 930 Ca 0.66 0.72 0.01 0.00 0.71 0.00 0.00 52.55 54.65 1ps3 s ASP 930 Cb -0.34 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1ps3 s ASP 930 CO 0.41 0.33 -0.16 -0.54 0.21 0.00 0.00 175.17 175.42 1ps3 s LYS 931 N -1.24 3.24 -0.03 8.23 1.02 -1.26 -0.36 119.74 129.35 1ps3 s LYS 931 Ca 0.22 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 55.53 1ps3 s LYS 931 Cb -0.14 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1ps3 s LYS 931 CO 0.11 0.12 -0.26 -0.06 -0.92 0.00 0.00 175.35 174.34 1ps3 s PHE 932 N 0.56 2.36 -0.19 3.18 0.40 0.94 -1.08 117.98 124.16 1ps3 s PHE 932 Ca -0.10 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.73 1ps3 s PHE 932 Cb -0.16 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.85 1ps3 s PHE 932 CO 0.04 -0.07 -0.11 0.42 0.70 0.00 0.00 175.22 176.20 1ps3 s ILE 933 N -0.53 2.90 0.22 0.64 1.01 -0.25 -0.72 121.20 124.47 1ps3 s ILE 933 Ca 0.07 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 1ps3 s ILE 933 Cb -0.11 -2.27 -0.11 0.00 0.01 0.00 0.00 42.46 39.98 1ps3 s ILE 933 CO -0.00 0.48 1.65 0.12 0.00 0.00 0.00 174.94 177.19 1ps3 s PHE 934 N 1.16 2.90 -0.08 3.97 5.36 -0.76 -1.49 117.98 129.04 1ps3 s PHE 934 Ca 0.01 0.54 -0.27 0.00 -0.96 0.00 0.00 56.93 56.25 1ps3 s PHE 934 Cb -0.14 -4.07 -0.22 0.00 -0.34 0.00 0.00 43.02 38.24 1ps3 s PHE 934 CO -0.04 -3.89 0.99 0.00 -1.46 0.00 0.00 175.22 170.82 1ps3 h ALA 935 N 6.23 -0.02 -2.11 11.12 0.00 -0.74 -3.46 119.26 130.27 1ps3 h ALA 935 Ca -0.44 -0.36 -0.43 0.00 0.00 0.00 0.00 54.91 53.68 1ps3 h ALA 935 Cb 1.21 0.01 0.18 0.00 0.00 0.00 0.00 17.79 19.18 1ps3 h ALA 935 CO 0.90 -0.14 0.19 -1.21 0.00 0.00 0.00 179.25 178.99 1ps3 s GLU 936 N -3.21 -0.56 0.13 0.00 2.02 -1.26 -4.99 118.70 110.83 1ps3 s GLU 936 Ca -0.17 0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 1ps3 s GLU 936 Cb -0.01 -1.67 -0.10 0.00 0.10 0.00 0.00 34.13 32.46 1ps3 s GLU 936 CO 0.66 -3.29 1.30 -0.91 0.02 0.00 0.00 175.26 173.04 1ps3 h ASN 937 N -2.28 0.44 -3.62 -0.19 2.35 -1.97 -3.45 115.58 106.85 1ps3 h ASN 937 Ca -0.47 -0.37 -0.39 0.00 -0.55 0.00 0.00 56.30 54.52 1ps3 h ASN 937 Cb 1.30 -0.14 -0.32 0.00 0.05 0.00 0.00 38.32 39.21 1ps3 h ASN 937 CO 0.41 1.19 -0.77 -0.70 -1.65 0.00 0.00 177.43 175.91 1ps3 s GLU 938 N -3.16 0.71 -0.60 0.81 2.12 -1.26 -4.96 118.70 112.36 1ps3 s GLU 938 Ca -0.05 -0.14 -0.09 0.00 0.36 0.00 0.00 54.97 55.05 1ps3 s GLU 938 Cb 0.09 -0.71 0.15 0.00 0.26 0.00 0.00 34.13 33.92 1ps3 s GLU 938 CO 0.86 -0.01 0.48 -0.46 -0.54 0.00 0.00 175.26 175.59 1ps3 s TRP 939 N 0.56 3.49 0.11 5.30 -0.00 -1.26 -5.06 118.94 122.08 1ps3 s TRP 939 Ca -0.07 -2.07 -0.31 0.00 -0.00 0.00 0.00 56.10 53.65 1ps3 s TRP 939 Cb -0.11 -3.53 -0.07 0.00 -0.00 0.00 0.00 33.47 29.77 1ps3 s TRP 939 CO 0.00 -0.96 1.24 0.42 -0.00 0.00 0.00 176.95 177.65 1ps3 s ILE 940 N 0.74 3.72 -0.00 5.86 1.01 -1.26 -3.18 121.20 128.08 1ps3 s ILE 940 Ca 0.11 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1ps3 s ILE 940 Cb -0.21 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1ps3 s ILE 940 CO -0.03 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.65 1ps3 n GLY 941 N 2.97 0.45 3.77 6.18 0.00 -1.26 -4.79 105.19 112.51 1ps3 n GLY 941 Ca 0.08 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1ps3 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ps3 n ALA 942 N 1.00 2.40 -2.60 4.61 0.00 -1.19 -1.55 120.51 123.18 1ps3 n ALA 942 Ca -0.00 0.35 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 1ps3 n ALA 942 Cb 0.00 -2.43 -0.09 0.00 0.00 0.00 0.00 19.45 16.94 1ps3 n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ps3 s GLN 943 N -1.72 2.16 0.17 0.00 -0.21 0.17 -4.91 119.66 115.33 1ps3 s GLN 943 Ca 0.56 -1.25 0.24 0.00 0.02 0.00 0.00 55.36 54.92 1ps3 s GLN 943 Cb -0.48 -2.20 0.34 0.00 1.00 0.00 0.00 33.01 31.67 1ps3 s GLN 943 CO 0.60 0.43 1.35 0.78 -2.12 0.00 0.00 175.29 176.33 1ps3 h GLY 944 N 2.74 0.00 -3.69 3.09 0.00 -1.92 -3.43 103.07 99.86 1ps3 h GLY 944 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1ps3 h GLY 944 CO 0.56 0.00 0.30 1.62 0.00 0.00 0.00 176.54 179.02 1ps3 s GLN 945 N -3.20 1.01 -0.01 4.80 0.74 -1.26 -1.03 119.66 120.71 1ps3 s GLN 945 Ca 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.42 1ps3 s GLN 945 Cb 0.12 0.47 0.01 0.00 1.10 0.00 0.00 33.01 34.71 1ps3 s GLN 945 CO 0.71 -0.37 -0.00 0.12 -0.55 0.00 0.00 175.29 175.20 1ps3 s PHE 946 N -2.20 0.15 0.00 1.67 5.36 -0.48 -4.86 117.98 117.61 1ps3 s PHE 946 Ca -0.04 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1ps3 s PHE 946 Cb -0.01 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 1ps3 s PHE 946 CO -0.01 -0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.12 1ps3 n GLY 947 N 3.48 0.57 0.33 13.12 0.00 -1.26 -1.48 105.19 119.95 1ps3 n GLY 947 Ca -0.18 -0.44 0.22 0.00 0.00 0.00 0.00 46.02 45.61 1ps3 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ps3 h GLY 948 N 0.00 0.00 -1.64 -0.02 0.00 -1.90 -0.09 103.07 99.42 1ps3 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ps3 h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1ps3 n ASP 949 N -3.19 2.70 -4.76 0.19 5.75 -1.26 -4.94 116.55 111.04 1ps3 n ASP 949 Ca -0.03 -1.87 -0.41 0.00 -0.01 0.00 0.00 54.79 52.47 1ps3 n ASP 949 Cb 0.07 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 1ps3 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1ps3 s HIS 950 N -1.83 3.27 0.28 2.11 3.76 -0.05 -4.97 115.29 117.87 1ps3 s HIS 950 Ca 0.33 1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 56.39 1ps3 s HIS 950 Cb 0.21 -3.54 -0.11 0.00 1.11 0.00 0.00 32.58 30.25 1ps3 s HIS 950 CO 0.31 -1.47 1.48 -2.14 -0.85 0.00 0.00 174.74 172.07 1ps3 s PRO 951 N -1.17 4.21 -0.60 8.40 0.02 -1.26 -4.67 135.00 139.93 1ps3 s PRO 951 Ca 0.50 2.41 -0.19 0.00 0.02 0.00 0.00 61.00 63.74 1ps3 s PRO 951 Cb -0.36 -3.06 0.10 0.00 0.02 0.00 0.00 34.50 31.20 1ps3 s PRO 951 CO 0.45 -0.48 0.72 0.45 -0.33 0.00 0.00 177.00 177.81 1ps3 s SER 952 N 0.28 6.19 0.74 2.53 0.15 -1.26 -4.64 113.70 117.69 1ps3 s SER 952 Ca 0.59 -1.43 -0.11 0.00 0.70 0.00 0.00 55.95 55.70 1ps3 s SER 952 Cb -0.44 -2.31 0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1ps3 s SER 952 CO 0.48 -1.13 1.08 0.00 1.20 0.00 0.00 173.24 174.86 1ps3 s ALA 953 N 2.72 2.45 0.38 5.45 0.00 0.24 -2.82 121.76 130.18 1ps3 s ALA 953 Ca 0.12 0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.91 1ps3 s ALA 953 Cb -0.24 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 1ps3 s ALA 953 CO 0.06 -1.50 1.19 -2.13 0.00 0.00 0.00 175.76 173.38 1ps3 n ARG 954 N -3.32 1.81 -0.07 0.00 0.63 -1.26 -4.71 116.66 109.75 1ps3 n ARG 954 Ca 0.08 0.64 0.25 0.00 -0.92 0.00 0.00 57.85 57.90 1ps3 n ARG 954 Cb 0.54 -2.23 0.72 0.00 0.45 0.00 0.00 32.46 31.94 1ps3 n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1ps3 h GLU 955 N 2.13 0.00 -0.01 -0.14 4.11 -1.96 -0.69 114.58 118.01 1ps3 h GLU 955 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ps3 h GLU 955 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ps3 h GLU 955 CO 0.60 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.28 1ps3 n ASP 956 N -4.06 1.10 -4.76 3.06 5.75 -1.26 -4.85 116.55 111.53 1ps3 n ASP 956 Ca 0.14 -1.37 -0.36 0.00 -0.01 0.00 0.00 54.79 53.19 1ps3 n ASP 956 Cb 0.82 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.83 1ps3 n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ps3 s LEU 957 N -1.99 3.97 0.03 -2.12 2.96 -0.27 -1.41 118.68 119.86 1ps3 s LEU 957 Ca 0.40 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 1ps3 s LEU 957 Cb 0.21 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 1ps3 s LEU 957 CO 0.34 0.36 -0.06 -0.62 -1.32 0.00 0.00 176.35 175.05 1ps3 s ASP 958 N -0.75 0.66 -0.93 3.68 2.15 0.28 -4.78 116.67 116.99 1ps3 s ASP 958 Ca 0.12 -0.50 -0.10 0.00 0.43 0.00 0.00 52.55 52.50 1ps3 s ASP 958 Cb -0.12 0.05 0.24 0.00 -0.30 0.00 0.00 42.92 42.79 1ps3 s ASP 958 CO 0.03 -0.21 0.87 -0.69 -0.17 0.00 0.00 175.17 175.00 1ps3 s VAL 959 N -1.31 5.49 0.36 1.11 1.01 -1.26 -1.41 120.40 124.39 1ps3 s VAL 959 Ca -0.11 -3.02 0.07 0.00 0.00 0.00 0.00 61.98 58.92 1ps3 s VAL 959 Cb -0.09 -4.36 0.30 0.00 0.00 0.00 0.00 36.38 32.23 1ps3 s VAL 959 CO -0.00 -1.08 1.95 0.28 0.00 0.00 0.00 175.10 176.24 1ps3 h SER 960 N 7.11 0.65 -3.66 3.32 0.02 -1.31 -3.42 113.55 116.26 1ps3 h SER 960 Ca 0.13 0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.87 1ps3 h SER 960 Cb 0.95 -0.13 -0.29 0.00 0.14 0.00 0.00 62.40 63.07 1ps3 h SER 960 CO 0.86 0.40 -0.62 -0.69 -1.14 0.00 0.00 176.83 175.64 1ps3 s VAL 961 N -5.66 -0.02 -0.09 2.27 1.01 -1.12 -4.95 120.40 111.83 1ps3 s VAL 961 Ca -0.10 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ps3 s VAL 961 Cb 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.45 1ps3 s VAL 961 CO 0.77 0.03 -0.01 -0.32 0.00 0.00 0.00 175.10 175.57 1ps3 s MET 962 N 0.43 0.78 -0.12 2.72 0.00 -1.26 -0.95 119.30 120.91 1ps3 s MET 962 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 55.69 55.59 1ps3 s MET 962 Cb -0.05 -1.22 0.06 0.00 0.00 0.00 0.00 34.83 33.62 1ps3 s MET 962 CO -0.02 -0.34 0.25 0.50 0.00 0.00 0.00 175.02 175.42 1ps3 s ARG 963 N 1.91 0.16 0.09 4.11 3.52 -0.29 -3.32 118.95 125.13 1ps3 s ARG 963 Ca 0.04 0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 56.00 1ps3 s ARG 963 Cb -0.13 -0.08 -0.07 0.00 -1.56 0.00 0.00 34.95 33.12 1ps3 s ARG 963 CO -0.06 -0.25 1.26 0.50 -0.81 0.00 0.00 175.30 175.94 1ps3 s ARG 964 N 2.03 4.40 0.00 5.12 3.52 -1.26 -0.54 118.95 132.22 1ps3 s ARG 964 Ca -0.02 1.87 0.23 0.00 -0.13 0.00 0.00 55.73 57.68 1ps3 s ARG 964 Cb -0.11 -3.31 0.06 0.00 -1.56 0.00 0.00 34.95 30.03 1ps3 s ARG 964 CO -0.08 -0.30 1.11 1.28 -0.81 0.00 0.00 175.30 176.50 1ps3 n LEU 965 N 3.80 1.31 -4.40 -0.88 4.77 0.23 -4.91 117.00 116.93 1ps3 n LEU 965 Ca 0.09 -0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 55.28 1ps3 n LEU 965 Cb 0.45 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1ps3 n LEU 965 CO 0.56 0.27 -0.56 0.42 -1.33 0.00 0.00 177.39 176.76 1ps3 s THR 966 N -2.75 2.32 0.72 -5.08 -4.23 -1.23 -4.95 115.64 100.43 1ps3 s THR 966 Ca 0.14 -1.69 -0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1ps3 s THR 966 Cb 0.17 -2.02 0.06 0.00 1.34 0.00 0.00 72.50 72.05 1ps3 s THR 966 CO 0.70 0.12 1.04 -0.54 -0.54 0.00 0.00 174.62 175.40 1ps3 s LYS 967 N -1.99 2.23 0.53 3.99 1.02 -1.26 -4.89 119.74 119.37 1ps3 s LYS 967 Ca 0.14 -0.14 0.18 0.00 0.02 0.00 0.00 55.97 56.17 1ps3 s LYS 967 Cb -0.10 -2.13 1.32 0.00 -0.52 0.00 0.00 37.83 36.40 1ps3 s LYS 967 CO 0.06 -1.26 2.14 0.66 -0.92 0.00 0.00 175.35 176.03 1ps3 h SER 968 N -0.66 0.00 0.43 2.83 4.64 -1.97 -2.85 113.55 115.98 1ps3 h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ps3 h SER 968 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1ps3 h SER 968 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1ps3 n SER 969 N -4.47 0.00 -4.67 4.97 3.41 -1.26 -4.75 113.62 106.85 1ps3 n SER 969 Ca -0.01 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 1ps3 n SER 969 Cb 0.16 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1ps3 n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ps3 s ALA 970 N -2.76 3.55 0.21 7.33 0.00 -1.08 -4.94 121.76 124.07 1ps3 s ALA 970 Ca 0.13 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1ps3 s ALA 970 Cb 0.11 -3.38 0.28 0.00 0.00 0.00 0.00 23.12 20.14 1ps3 s ALA 970 CO 0.28 -0.78 1.75 0.87 0.00 0.00 0.00 175.76 177.88 1ps3 h LYS 971 N 7.35 0.42 -4.64 0.00 1.57 -1.91 -3.35 116.57 116.00 1ps3 h LYS 971 Ca -0.26 -0.03 -0.70 0.00 -1.87 0.00 0.00 60.65 57.80 1ps3 h LYS 971 Cb 1.11 -0.10 -0.22 0.00 0.08 0.00 0.00 32.23 33.11 1ps3 h LYS 971 CO 0.89 0.28 -0.50 0.99 -0.57 0.00 0.00 179.45 180.54 1ps3 s THR 972 N -6.09 4.91 0.24 -0.16 2.01 -1.26 -4.69 115.64 110.60 1ps3 s THR 972 Ca -0.13 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.07 1ps3 s THR 972 Cb 0.17 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1ps3 s THR 972 CO 0.75 -0.13 0.82 -1.10 -0.69 0.00 0.00 174.62 174.26 1ps3 s GLN 973 N 1.64 4.45 -0.03 4.92 -1.52 -0.42 -4.86 119.66 123.83 1ps3 s GLN 973 Ca 0.04 1.10 0.04 0.00 -1.95 0.00 0.00 55.36 54.59 1ps3 s GLN 973 Cb -0.18 -2.95 -0.00 0.00 -0.22 0.00 0.00 33.01 29.66 1ps3 s GLN 973 CO 0.08 0.40 -0.15 1.03 -0.25 0.00 0.00 175.29 176.41 1ps3 s ARG 974 N -1.80 1.46 -0.08 2.91 0.52 -1.26 -0.45 118.95 120.25 1ps3 s ARG 974 Ca 0.44 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1ps3 s ARG 974 Cb -0.19 -1.31 0.02 0.00 0.52 0.00 0.00 34.95 33.99 1ps3 s ARG 974 CO 0.23 0.22 -0.12 0.08 0.02 0.00 0.00 175.30 175.74 1ps3 s VAL 975 N 0.02 1.17 -0.03 3.52 1.01 -0.51 -0.60 120.40 124.97 1ps3 s VAL 975 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1ps3 s VAL 975 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1ps3 s VAL 975 CO 0.01 0.37 0.11 -0.83 0.00 0.00 0.00 175.10 174.77 1ps3 s GLY 976 N 0.94 2.07 -0.01 4.51 0.00 0.30 -1.10 107.32 114.03 1ps3 s GLY 976 Ca -0.09 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.87 1ps3 s GLY 976 CO 0.00 -0.64 -0.11 -0.19 0.00 0.00 0.00 173.10 172.17 1ps3 s TYR 977 N -1.17 0.98 -0.21 1.90 1.51 0.11 -1.14 117.35 119.34 1ps3 s TYR 977 Ca 0.22 -0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 56.05 1ps3 s TYR 977 Cb -0.12 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.07 1ps3 s TYR 977 CO 0.12 -0.04 -0.07 0.08 -1.11 0.00 0.00 175.55 174.54 1ps3 s VAL 978 N -0.16 3.20 -0.19 0.71 1.01 -0.12 -0.72 120.40 124.12 1ps3 s VAL 978 Ca 0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1ps3 s VAL 978 Cb -0.05 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1ps3 s VAL 978 CO -0.00 0.45 -0.04 -0.76 0.00 0.00 0.00 175.10 174.75 1ps3 s LEU 979 N 1.36 3.06 -0.05 3.92 2.01 0.13 -0.78 118.68 128.33 1ps3 s LEU 979 Ca 0.04 -0.27 0.06 0.00 0.01 0.00 0.00 54.13 53.97 1ps3 s LEU 979 Cb -0.14 -1.76 -0.01 0.00 0.01 0.00 0.00 46.19 44.29 1ps3 s LEU 979 CO -0.04 0.06 -0.22 -2.28 1.01 0.00 0.00 176.35 174.88 1ps3 s HIS 980 N 1.01 2.11 -0.15 0.29 5.65 -0.50 -0.81 115.29 122.89 1ps3 s HIS 980 Ca 0.01 -0.58 0.01 0.00 0.25 0.00 0.00 55.06 54.75 1ps3 s HIS 980 Cb -0.15 -1.39 0.02 0.00 -1.18 0.00 0.00 32.58 29.88 1ps3 s HIS 980 CO 0.01 -0.17 -0.17 0.50 -0.65 0.00 0.00 174.74 174.26 1ps3 s ARG 981 N -0.16 2.59 0.54 2.88 3.52 -0.83 -0.56 118.95 126.93 1ps3 s ARG 981 Ca -0.01 -0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 54.87 1ps3 s ARG 981 Cb -0.12 -2.25 0.11 0.00 -1.56 0.00 0.00 34.95 31.13 1ps3 s ARG 981 CO 0.02 -0.17 0.74 -2.37 -0.81 0.00 0.00 175.30 172.72 1ps3 n THR 982 N 4.53 0.00 -4.34 4.11 5.66 -0.50 0.73 114.28 124.47 1ps3 n THR 982 Ca -0.19 -0.92 -0.31 0.00 -3.05 0.00 0.00 64.05 59.59 1ps3 n THR 982 Cb 0.50 -1.26 -0.16 0.00 -1.55 0.00 0.00 70.33 67.86 1ps3 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1ps3 s ASN 983 N -3.89 2.77 -0.05 1.09 2.47 -1.26 -3.89 114.94 112.19 1ps3 s ASN 983 Ca 0.46 -0.52 0.01 0.00 0.42 0.00 0.00 52.86 53.24 1ps3 s ASN 983 Cb -0.02 -1.26 -0.03 0.00 -1.45 0.00 0.00 41.25 38.49 1ps3 s ASN 983 CO 0.31 0.01 -0.07 -0.76 -3.72 0.00 0.00 177.10 172.88 1ps3 s LEU 984 N 1.13 3.18 0.46 3.21 1.43 -1.26 -4.24 118.68 122.60 1ps3 s LEU 984 Ca -0.02 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 1ps3 s LEU 984 Cb -0.14 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 1ps3 s LEU 984 CO -0.06 0.34 1.30 -0.04 0.23 0.00 0.00 176.35 178.12 1ps3 s MET 985 N -0.99 3.66 -0.35 1.70 -1.94 -0.56 -4.97 119.30 115.84 1ps3 s MET 985 Ca 0.14 2.12 -0.19 0.00 -1.71 0.00 0.00 55.69 56.04 1ps3 s MET 985 Cb -0.11 -2.53 -0.00 0.00 2.01 0.00 0.00 34.83 34.20 1ps3 s MET 985 CO 0.03 -0.73 0.57 1.14 -0.01 0.00 0.00 175.02 176.02 1ps3 s GLN 986 N -2.55 3.63 -0.11 2.03 -2.07 -1.26 -4.66 119.66 114.67 1ps3 s GLN 986 Ca 0.63 -0.08 0.15 0.00 -1.82 0.00 0.00 55.36 54.24 1ps3 s GLN 986 Cb -0.37 -3.81 0.26 0.00 -1.09 0.00 0.00 33.01 27.99 1ps3 s GLN 986 CO 0.46 -0.69 1.13 0.00 -1.32 0.00 0.00 175.29 174.87 1ps3 n GLY 988 N -1.15 0.90 3.54 0.00 0.00 -1.26 -4.64 105.19 102.58 1ps3 n GLY 988 Ca 0.13 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1ps3 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ps3 s THR 989 N -2.00 5.23 0.34 2.61 2.01 -1.26 -4.98 115.64 117.59 1ps3 s THR 989 Ca 0.00 -0.12 0.18 0.00 0.31 0.00 0.00 61.69 62.06 1ps3 s THR 989 Cb 0.00 -3.63 0.33 0.00 0.01 0.00 0.00 72.50 69.21 1ps3 s THR 989 CO 0.00 0.07 1.46 -2.65 -0.69 0.00 0.00 174.62 172.82 1ps3 n PRO 990 N 5.08 -0.06 -0.51 4.92 -0.02 -1.26 -4.86 135.00 138.29 1ps3 n PRO 990 Ca -0.13 1.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 1ps3 n PRO 990 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1ps3 n PRO 990 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ps3 n GLU 991 N -5.11 0.00 0.00 -0.52 1.02 -1.26 -4.92 120.64 109.85 1ps3 n GLU 991 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1ps3 n GLU 991 Cb 1.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.58 1ps3 n GLU 991 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ps3 n GLU 992 N 0.42 1.98 -0.39 3.49 1.02 -1.26 -5.03 120.64 120.87 1ps3 n GLU 992 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ps3 n GLU 992 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ps3 n GLU 992 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1ps3 n HIS 993 N 0.00 0.00 -3.90 -0.32 1.44 -1.26 -4.99 115.22 106.19 1ps3 n HIS 993 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1ps3 n HIS 993 Cb 0.00 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 1ps3 n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1ps3 s THR 994 N 0.00 0.04 0.48 0.61 -4.23 -1.26 -5.08 115.64 106.19 1ps3 s THR 994 Ca 0.00 -0.21 -0.16 0.00 -1.18 0.00 0.00 61.69 60.14 1ps3 s THR 994 Cb 0.00 -0.07 -0.08 0.00 1.34 0.00 0.00 72.50 73.68 1ps3 s THR 994 CO 0.00 -0.11 0.94 -1.10 -0.54 0.00 0.00 174.62 173.81 1ps3 s GLN 995 N -0.33 3.97 0.28 3.99 -0.21 -1.13 -4.89 119.66 121.35 1ps3 s GLN 995 Ca -0.03 0.90 -0.29 0.00 0.02 0.00 0.00 55.36 55.95 1ps3 s GLN 995 Cb -0.02 -2.19 -0.09 0.00 1.00 0.00 0.00 33.01 31.70 1ps3 s GLN 995 CO -0.00 -0.18 1.07 0.15 -2.12 0.00 0.00 175.29 174.21 1ps3 s LYS 996 N -3.85 4.66 -0.30 2.91 -0.14 -1.26 -4.19 119.74 117.58 1ps3 s LYS 996 Ca 0.58 1.74 -0.10 0.00 -1.36 0.00 0.00 55.97 56.83 1ps3 s LYS 996 Cb -0.10 -3.18 -0.02 0.00 -1.68 0.00 0.00 37.83 32.85 1ps3 s LYS 996 CO 0.28 0.26 0.15 -1.17 -0.76 0.00 0.00 175.35 174.11 1ps3 s LEU 997 N -1.44 4.02 -0.54 3.17 2.96 -1.26 -4.89 118.68 120.69 1ps3 s LEU 997 Ca 0.44 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1ps3 s LEU 997 Cb -0.31 -2.02 0.14 0.00 0.50 0.00 0.00 46.19 44.51 1ps3 s LEU 997 CO 0.39 -0.15 0.34 -0.62 -1.32 0.00 0.00 176.35 174.99 1ps3 s ASP 998 N 1.65 5.17 0.49 3.68 3.68 -1.26 -4.60 116.67 125.48 1ps3 s ASP 998 Ca 0.05 -2.57 0.19 0.00 2.13 0.00 0.00 52.55 52.35 1ps3 s ASP 998 Cb -0.17 -1.83 1.22 0.00 -1.45 0.00 0.00 42.92 40.70 1ps3 s ASP 998 CO 0.07 -0.42 2.01 -0.37 0.13 0.00 0.00 175.17 176.59 1ps3 h VAL 999 N 5.69 0.84 0.00 1.11 -1.51 -1.96 -1.72 116.25 118.70 1ps3 h VAL 999 Ca -0.06 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1ps3 h VAL 999 Cb 0.98 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1ps3 h VAL 999 CO 0.70 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 177.07 1ps3 n HIS 1001N -2.21 0.64 0.23 0.00 8.25 -0.65 -4.51 115.22 116.97 1ps3 n HIS 1001Ca 0.01 -0.62 0.11 0.00 -0.26 0.00 0.00 57.72 56.95 1ps3 n HIS 1001Cb 0.14 -0.12 0.51 0.00 1.12 0.00 0.00 29.99 31.64 1ps3 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ps3 h LEU 1002N 2.01 0.00 -9.06 2.41 3.38 -1.49 -3.42 115.31 109.14 1ps3 h LEU 1002Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1ps3 h LEU 1002Cb 0.97 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.52 1ps3 h LEU 1002CO 0.07 0.20 -0.78 -0.76 0.09 0.00 0.00 178.44 177.27 1ps3 s LEU 1003N -6.83 2.76 0.88 1.67 1.43 -1.26 -5.13 118.68 112.20 1ps3 s LEU 1003Ca 0.00 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1ps3 s LEU 1003Cb 0.11 -1.61 0.12 0.00 0.03 0.00 0.00 46.19 44.84 1ps3 s LEU 1003CO 0.62 0.23 1.10 -2.16 0.23 0.00 0.00 176.35 176.38 1ps3 s PRO 1004N -1.67 1.37 -1.34 1.29 0.04 -1.26 -4.31 135.00 129.13 1ps3 s PRO 1004Ca 0.16 0.60 -0.05 0.00 0.04 0.00 0.00 61.00 61.76 1ps3 s PRO 1004Cb -0.11 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1ps3 s PRO 1004CO 0.08 -2.10 0.92 0.09 0.04 0.00 0.00 177.00 176.02 1ps3 n ASN 1005N -3.76 -3.11 -4.71 6.66 5.03 -1.26 -4.82 115.26 109.30 1ps3 n ASN 1005Ca 0.07 -0.71 -0.42 0.00 0.87 0.00 0.00 54.58 54.38 1ps3 n ASN 1005Cb 0.57 -4.46 -0.03 0.00 -1.02 0.00 0.00 39.78 34.84 1ps3 n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ps3 s VAL 1006N -3.45 4.17 -0.19 2.41 0.11 -1.26 -2.50 120.40 119.69 1ps3 s VAL 1006Ca 0.25 1.55 0.17 0.00 -2.93 0.00 0.00 61.98 61.02 1ps3 s VAL 1006Cb -0.12 -3.99 -0.24 0.00 -1.53 0.00 0.00 36.38 30.50 1ps3 s VAL 1006CO 0.78 0.09 0.07 0.00 -3.33 0.00 0.00 175.10 172.71 1ps3 n ALA 1007N 4.29 1.54 -3.44 1.54 0.00 0.21 -4.94 120.51 119.71 1ps3 n ALA 1007Ca 0.09 -1.28 -0.12 0.00 0.00 0.00 0.00 53.44 52.13 1ps3 n ALA 1007Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 1ps3 n ALA 1007CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ps3 s ARG 1008N -2.49 1.21 -0.04 0.00 1.70 -1.17 -4.99 118.95 113.16 1ps3 s ARG 1008Ca -0.10 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 1ps3 s ARG 1008Cb 0.06 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 35.02 1ps3 s ARG 1008CO 0.80 -0.52 -0.01 0.00 -1.08 0.00 0.00 175.30 174.50 1ps3 s GLU 1010N 1.18 0.71 0.04 0.00 2.02 -0.67 -0.83 118.70 121.15 1ps3 s GLU 1010Ca -0.07 -0.44 -0.24 0.00 0.02 0.00 0.00 54.97 54.24 1ps3 s GLU 1010Cb -0.13 -0.67 -0.06 0.00 0.10 0.00 0.00 34.13 33.37 1ps3 s GLU 1010CO -0.02 0.17 0.71 0.50 0.02 0.00 0.00 175.26 176.65 1ps3 s ARG 1011N -0.54 4.44 0.36 1.61 3.52 0.04 -0.92 118.95 127.46 1ps3 s ARG 1011Ca 0.01 0.97 0.03 0.00 -0.13 0.00 0.00 55.73 56.62 1ps3 s ARG 1011Cb -0.05 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 1ps3 s ARG 1011CO 0.00 0.34 0.09 0.95 -0.81 0.00 0.00 175.30 175.87 1ps3 s THR 1012N -0.20 0.86 0.89 4.11 -4.23 -0.08 0.07 115.64 117.06 1ps3 s THR 1012Ca 0.36 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1ps3 s THR 1012Cb -0.20 -2.57 0.13 0.00 1.34 0.00 0.00 72.50 71.20 1ps3 s THR 1012CO 0.21 0.00 1.10 0.42 -0.54 0.00 0.00 174.62 175.81 1ps3 s THR 1013N -3.30 2.65 -0.06 3.99 -4.23 -0.72 -3.99 115.64 109.99 1ps3 s THR 1013Ca 0.30 0.21 0.26 0.00 -1.18 0.00 0.00 61.69 61.29 1ps3 s THR 1013Cb 0.06 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.61 1ps3 s THR 1013CO 0.15 -0.28 1.81 -0.07 -0.54 0.00 0.00 174.62 175.69 1ps3 h LEU 1014N -1.62 0.00 -1.24 4.79 3.38 -1.76 0.24 115.31 119.11 1ps3 h LEU 1014Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1ps3 h LEU 1014Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ps3 h LEU 1014CO 0.51 0.00 -0.04 0.35 0.09 0.00 0.00 178.44 179.34 1ps3 n THR 1015N -2.43 0.00 -0.90 0.22 -2.24 -1.26 -4.94 114.28 102.73 1ps3 n THR 1015Ca -0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1ps3 n THR 1015Cb 0.07 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1ps3 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ps3 n PHE 1016N 0.48 0.00 0.34 4.78 0.99 0.07 -4.88 117.46 119.24 1ps3 n PHE 1016Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.74 1ps3 n PHE 1016Cb 0.44 -1.12 0.21 0.00 -1.00 0.00 0.00 39.48 38.01 1ps3 n PHE 1016CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1ps3 h LEU 1017N 0.00 0.00 -7.73 4.37 3.38 -1.92 -3.46 115.31 109.95 1ps3 h LEU 1017Ca 0.00 -0.02 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 1ps3 h LEU 1017Cb 0.40 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.83 1ps3 h LEU 1017CO 0.00 0.01 -0.76 -1.58 0.09 0.00 0.00 178.44 176.20 1ps3 s GLN 1018N -3.20 0.56 -0.03 1.13 0.74 -1.26 -5.01 119.66 112.60 1ps3 s GLN 1018Ca 0.07 -0.06 -0.29 0.00 0.05 0.00 0.00 55.36 55.13 1ps3 s GLN 1018Cb 0.08 -0.62 -0.03 0.00 1.10 0.00 0.00 33.01 33.54 1ps3 s GLN 1018CO 0.67 -0.06 0.93 -0.80 -0.55 0.00 0.00 175.29 175.48 1ps3 s ASN 1019N 0.72 7.28 -0.05 6.67 0.01 -1.26 -1.75 114.94 126.56 1ps3 s ASN 1019Ca -0.08 1.55 0.10 0.00 -0.71 0.00 0.00 52.86 53.72 1ps3 s ASN 1019Cb -0.12 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 38.85 1ps3 s ASN 1019CO -0.00 -0.26 0.15 0.18 -1.51 0.00 0.00 177.10 175.66 1ps3 n LEU 1020N 4.01 0.00 -3.68 0.60 4.77 0.11 -4.97 117.00 117.85 1ps3 n LEU 1020Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 1ps3 n LEU 1020Cb 0.51 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1ps3 n LEU 1020CO 0.51 0.11 0.21 -1.61 -1.33 0.00 0.00 177.39 175.28 1ps3 s GLU 1021N -2.54 0.58 -0.37 3.23 2.02 -0.96 -4.95 118.70 115.72 1ps3 s GLU 1021Ca -0.04 0.89 -0.19 0.00 0.02 0.00 0.00 54.97 55.65 1ps3 s GLU 1021Cb 0.05 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.45 1ps3 s GLU 1021CO 0.44 -0.12 0.54 -1.58 0.02 0.00 0.00 175.26 174.57 1ps3 s HIS 1022N 0.98 3.16 -0.26 1.61 5.65 -1.26 -0.78 115.29 124.38 1ps3 s HIS 1022Ca -0.05 0.13 -0.26 0.00 0.25 0.00 0.00 55.06 55.12 1ps3 s HIS 1022Cb -0.06 -3.01 0.00 0.00 -1.18 0.00 0.00 32.58 28.34 1ps3 s HIS 1022CO -0.09 -0.61 0.91 -0.51 -0.65 0.00 0.00 174.74 173.79 1ps3 s LEU 1023N 2.48 4.07 0.56 8.88 1.43 -0.01 -5.01 118.68 131.08 1ps3 s LEU 1023Ca 0.20 1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 54.15 1ps3 s LEU 1023Cb -0.15 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1ps3 s LEU 1023CO 0.14 -0.62 1.28 -1.81 0.23 0.00 0.00 176.35 175.57 1ps3 s ASP 1024N 1.40 5.28 0.00 2.29 -0.00 -1.26 -1.89 116.67 122.49 1ps3 s ASP 1024Ca 0.38 2.57 0.00 0.00 -0.00 0.00 0.00 52.55 55.51 1ps3 s ASP 1024Cb -0.15 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 1ps3 s ASP 1024CO 0.09 -1.54 0.00 0.61 -0.00 0.00 0.00 175.17 174.33 1ps3 n GLY 1025N 0.65 0.58 2.50 0.21 0.00 -1.26 -2.83 105.19 105.04 1ps3 n GLY 1025Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1ps3 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ps3 n MET 1026N -2.00 -2.32 -4.34 1.61 2.81 -0.79 -4.99 117.12 107.10 1ps3 n MET 1026Ca 0.00 0.83 -0.34 0.00 -1.81 0.00 0.00 57.70 56.38 1ps3 n MET 1026Cb 0.00 -5.35 -0.11 0.00 -0.71 0.00 0.00 33.22 27.05 1ps3 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ps3 s VAL 1027N -2.95 4.09 -0.33 2.03 1.01 -1.13 -4.67 120.40 118.45 1ps3 s VAL 1027Ca 0.08 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1ps3 s VAL 1027Cb -0.04 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1ps3 s VAL 1027CO 0.10 0.51 0.43 0.00 0.00 0.00 0.00 175.10 176.14 1ps3 s ALA 1028N 0.14 3.51 0.52 5.51 0.00 -1.26 -4.73 121.76 125.45 1ps3 s ALA 1028Ca -0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.75 1ps3 s ALA 1028Cb -0.13 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1ps3 s ALA 1028CO 0.02 -1.02 1.03 -1.25 0.00 0.00 0.00 175.76 174.54 1ps3 s PRO 1029N 2.18 3.70 0.76 0.00 0.04 -1.26 -4.49 135.00 135.94 1ps3 s PRO 1029Ca 0.15 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 1ps3 s PRO 1029Cb -0.16 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.34 1ps3 s PRO 1029CO 0.12 -0.50 1.08 -1.21 0.04 0.00 0.00 177.00 176.53 1ps3 s GLU 1030N -3.60 2.38 0.45 4.56 2.02 -1.26 -5.04 118.70 118.20 1ps3 s GLU 1030Ca 0.65 0.90 0.04 0.00 0.02 0.00 0.00 54.97 56.58 1ps3 s GLU 1030Cb -0.15 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.16 1ps3 s GLU 1030CO 0.26 -1.48 0.64 0.14 0.02 0.00 0.00 175.26 174.84 1ps3 s VAL 1031N -3.03 3.37 0.66 2.63 -7.23 -1.26 -5.12 120.40 110.42 1ps3 s VAL 1031Ca 0.60 -0.77 -0.10 0.00 -1.81 0.00 0.00 61.98 59.90 1ps3 s VAL 1031Cb -0.15 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.59 1ps3 s VAL 1031CO 0.55 -0.11 1.02 0.00 -0.31 0.00 0.00 175.10 176.25 1ps3 n PRO 1033N -2.84 2.45 -0.95 0.00 -0.02 -1.26 -1.18 135.00 131.21 1ps3 n PRO 1033Ca 0.06 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1ps3 n PRO 1033Cb 0.57 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1ps3 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1ps3 n MET 1034N 3.01 -0.47 -3.85 -0.52 2.81 0.22 -4.92 117.12 113.41 1ps3 n MET 1034Ca 0.14 0.12 -0.25 0.00 -1.81 0.00 0.00 57.70 55.89 1ps3 n MET 1034Cb 0.33 -3.52 -0.03 0.00 -0.71 0.00 0.00 33.22 29.29 1ps3 n MET 1034CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ps3 s GLU 1035N -0.57 3.46 -0.03 0.03 2.12 -0.32 -4.93 118.70 118.46 1ps3 s GLU 1035Ca 0.00 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.80 1ps3 s GLU 1035Cb 0.00 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.51 1ps3 s GLU 1035CO 0.00 0.45 -0.04 0.99 -0.54 0.00 0.00 175.26 176.12 1ps3 s THR 1036N -1.85 0.47 0.10 -1.70 2.01 -1.26 -1.97 115.64 111.44 1ps3 s THR 1036Ca 0.36 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1ps3 s THR 1036Cb -0.11 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1ps3 s THR 1036CO 0.29 0.19 -0.08 0.00 -0.69 0.00 0.00 174.62 174.33 1ps3 s ALA 1037N 0.67 1.02 -0.01 7.40 0.00 0.01 -4.98 121.76 125.86 1ps3 s ALA 1037Ca -0.08 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.67 1ps3 s ALA 1037Cb -0.12 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1ps3 s ALA 1037CO -0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 175.76 175.44 1ps3 s ALA 1038N -3.05 1.43 0.08 0.00 0.00 -1.26 0.17 121.76 119.14 1ps3 s ALA 1038Ca 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1ps3 s ALA 1038Cb 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1ps3 s ALA 1038CO -0.02 0.35 -0.09 0.71 0.00 0.00 0.00 175.76 176.70 1ps3 s TYR 1039N -0.43 0.94 -0.07 0.00 1.51 0.10 -0.90 117.35 118.49 1ps3 s TYR 1039Ca 0.07 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1ps3 s TYR 1039Cb -0.07 -0.53 0.02 0.00 -0.11 0.00 0.00 41.96 41.28 1ps3 s TYR 1039CO -0.01 -0.04 -0.05 0.08 -1.11 0.00 0.00 175.55 174.42 1ps3 s VAL 1040N -2.25 0.72 -0.11 0.71 1.01 -0.10 0.08 120.40 120.46 1ps3 s VAL 1040Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1ps3 s VAL 1040Cb -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1ps3 s VAL 1040CO -0.01 0.29 0.04 -0.94 0.00 0.00 0.00 175.10 174.49 1ps3 s SER 1041N 1.38 5.57 -0.11 3.32 1.04 -0.26 -1.67 113.70 122.98 1ps3 s SER 1041Ca -0.03 0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 1ps3 s SER 1041Cb -0.13 -1.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.24 1ps3 s SER 1041CO -0.03 0.35 -0.02 -0.44 0.98 0.00 0.00 173.24 174.07 1ps3 s SER 1042N -0.69 4.97 -0.05 7.02 0.01 -0.12 -1.43 113.70 123.43 1ps3 s SER 1042Ca 0.12 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.42 1ps3 s SER 1042Cb -0.12 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.60 1ps3 s SER 1042CO 0.02 0.30 -0.12 -1.00 0.41 0.00 0.00 173.24 172.85 1ps3 s HIS 1043N -0.42 1.36 -2.32 2.43 3.76 0.41 0.66 115.29 121.17 1ps3 s HIS 1043Ca 0.07 -0.43 0.29 0.00 -0.15 0.00 0.00 55.06 54.84 1ps3 s HIS 1043Cb -0.12 -0.97 1.36 0.00 1.11 0.00 0.00 32.58 33.95 1ps3 s HIS 1043CO 0.02 -0.20 1.92 -1.13 -0.85 0.00 0.00 174.74 174.50