#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 s LEU 7 N 0.00 4.19 -0.16 2.23 2.96 0.12 -4.88 118.68 123.15 1t60 s LEU 7 Ca 0.00 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.18 1t60 s LEU 7 Cb 0.00 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1t60 s LEU 7 CO 0.00 0.11 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.41 1t60 s VAL 8 N 0.62 3.81 -0.08 1.68 1.01 -1.26 -0.28 120.40 125.91 1t60 s VAL 8 Ca 0.11 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1t60 s VAL 8 Cb -0.12 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1t60 s VAL 8 CO 0.02 0.49 -0.22 -0.54 0.00 0.00 0.00 175.10 174.85 1t60 s LYS 9 N 0.42 2.58 -0.20 2.72 1.02 -0.59 -4.89 119.74 120.80 1t60 s LYS 9 Ca -0.04 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 1t60 s LYS 9 Cb -0.14 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1t60 s LYS 9 CO 0.03 0.23 -0.08 -1.01 -0.92 0.00 0.00 175.35 173.60 1t60 s HIS 10 N 0.19 2.92 0.23 3.18 3.76 -1.26 -0.93 115.29 123.38 1t60 s HIS 10 Ca -0.12 -0.96 0.05 0.00 -0.15 0.00 0.00 55.06 53.88 1t60 s HIS 10 Cb -0.16 -2.04 0.23 0.00 1.11 0.00 0.00 32.58 31.73 1t60 s HIS 10 CO 0.06 -0.51 1.54 0.66 -0.85 0.00 0.00 174.74 175.64 1t60 h SER 11 N 7.83 0.22 -0.65 1.40 4.64 -1.10 -3.47 113.55 122.41 1t60 h SER 11 Ca -0.39 -0.13 -0.25 0.00 -0.47 0.00 0.00 61.79 60.54 1t60 h SER 11 Cb 1.17 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 63.10 1t60 h SER 11 CO 0.60 0.80 -0.24 0.00 -0.87 0.00 0.00 176.83 177.13 1t60 n GLN 12 N -3.83 -0.87 -4.27 4.77 6.02 -1.26 -4.96 117.38 112.98 1t60 n GLN 12 Ca -0.02 0.92 -0.18 0.00 -0.01 0.00 0.00 57.00 57.71 1t60 n GLN 12 Cb 0.64 -4.96 -0.09 0.00 1.02 0.00 0.00 30.24 26.86 1t60 n GLN 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 13 N -2.47 0.04 -1.33 5.09 -4.23 -1.26 -4.14 115.64 107.34 1t60 s THR 13 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1t60 s THR 13 Cb 0.00 -2.50 0.34 0.00 1.34 0.00 0.00 72.50 71.68 1t60 s THR 13 CO 0.00 0.00 1.16 -0.90 -0.54 0.00 0.00 174.62 174.34 1t60 n ASP 14 N -1.17 2.50 -4.73 3.99 5.68 -1.26 -2.00 116.55 119.56 1t60 n ASP 14 Ca 0.05 -2.21 -0.33 0.00 -0.50 0.00 0.00 54.79 51.80 1t60 n ASP 14 Cb 0.63 -0.41 -0.08 0.00 -1.14 0.00 0.00 41.12 40.13 1t60 n ASP 14 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1t60 s GLN 15 N -1.68 2.92 0.29 0.11 -1.52 -1.26 -4.86 119.66 113.66 1t60 s GLN 15 Ca 0.24 -0.55 -0.29 0.00 -1.95 0.00 0.00 55.36 52.81 1t60 s GLN 15 Cb 0.16 -2.76 -0.10 0.00 -0.22 0.00 0.00 33.01 30.09 1t60 s GLN 15 CO 0.11 0.63 1.20 -1.21 -0.25 0.00 0.00 175.29 175.78 1t60 s GLU 16 N -1.65 4.51 0.17 2.91 2.02 -1.26 -4.44 118.70 120.95 1t60 s GLU 16 Ca 0.21 1.98 -0.30 0.00 0.02 0.00 0.00 54.97 56.89 1t60 s GLU 16 Cb -0.12 -3.15 -0.08 0.00 0.10 0.00 0.00 34.13 30.89 1t60 s GLU 16 CO 0.12 0.01 1.15 -2.14 0.02 0.00 0.00 175.26 174.42 1t60 s PRO 17 N -1.43 4.53 -0.09 0.39 0.02 -1.26 -5.01 135.00 132.16 1t60 s PRO 17 Ca 0.47 1.79 -0.27 0.00 0.02 0.00 0.00 61.00 63.02 1t60 s PRO 17 Cb -0.35 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 30.88 1t60 s PRO 17 CO 0.45 -0.03 0.87 -1.64 -0.33 0.00 0.00 177.00 176.33 1t60 s MET 18 N -0.18 4.42 0.30 5.54 -1.94 -1.26 -4.64 119.30 121.54 1t60 s MET 18 Ca 0.52 1.16 -0.29 0.00 -1.71 0.00 0.00 55.69 55.37 1t60 s MET 18 Cb -0.31 -3.51 -0.10 0.00 2.01 0.00 0.00 34.83 32.92 1t60 s MET 18 CO 0.35 -0.16 1.33 0.00 -0.01 0.00 0.00 175.02 176.53 1t60 n PRO 20 N 1.25 1.07 -1.66 0.00 -0.02 -1.26 -4.81 135.00 129.57 1t60 n PRO 20 Ca 0.02 0.39 -0.46 0.00 -2.02 0.00 0.00 63.50 61.43 1t60 n PRO 20 Cb 0.42 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1t60 n PRO 20 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1t60 n VAL 21 N -0.92 0.80 -0.22 -1.45 3.14 -1.26 -1.73 118.33 116.69 1t60 n VAL 21 Ca 0.11 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1t60 n VAL 21 Cb 0.42 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 1t60 n VAL 21 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t60 n GLY 22 N 2.30 0.64 3.00 7.55 0.00 -1.26 -5.04 105.19 112.39 1t60 n GLY 22 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1t60 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t60 s MET 23 N -0.75 1.71 0.24 1.61 1.00 -0.71 -4.89 119.30 117.51 1t60 s MET 23 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 55.69 53.92 1t60 s MET 23 Cb 0.00 -2.89 -0.10 0.00 0.00 0.00 0.00 34.83 31.84 1t60 s MET 23 CO 0.00 -0.75 1.47 -0.80 0.00 0.00 0.00 175.02 174.94 1t60 s ASN 24 N 1.12 6.62 -0.13 3.03 0.01 -1.25 -4.61 114.94 119.73 1t60 s ASN 24 Ca 0.01 2.68 -0.27 0.00 -0.71 0.00 0.00 52.86 54.57 1t60 s ASN 24 Cb -0.19 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.83 1t60 s ASN 24 CO -0.08 -0.74 0.91 -0.75 -1.51 0.00 0.00 177.10 174.93 1t60 s LYS 25 N -0.15 4.37 0.07 -0.60 2.20 -1.26 -0.36 119.74 124.01 1t60 s LYS 25 Ca 0.61 1.20 0.03 0.00 -0.36 0.00 0.00 55.97 57.45 1t60 s LYS 25 Cb -0.43 -3.55 -0.24 0.00 -1.51 0.00 0.00 37.83 32.10 1t60 s LYS 25 CO 0.42 -0.30 1.08 -0.07 -0.36 0.00 0.00 175.35 176.12 1t60 h LEU 26 N 8.08 0.18 0.00 5.43 4.07 -1.38 -3.48 115.31 128.21 1t60 h LEU 26 Ca -0.31 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.43 1t60 h LEU 26 Cb 1.14 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1t60 h LEU 26 CO 0.84 1.18 0.00 -2.67 -1.08 0.00 0.00 178.44 176.71 1t60 n TRP 27 N -3.38 0.00 -4.45 1.13 2.14 -1.22 -5.03 117.44 106.63 1t60 n TRP 27 Ca -0.07 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.27 1t60 n TRP 27 Cb 1.00 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 31.39 1t60 n TRP 27 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1t60 s SER 28 N 0.00 3.36 0.00 -0.67 0.01 -1.26 -0.74 113.70 114.39 1t60 s SER 28 Ca 0.00 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1t60 s SER 28 Cb 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1t60 s SER 28 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1t60 n GLY 29 N -0.60 2.18 3.43 3.44 0.00 0.03 -4.41 105.19 109.26 1t60 n GLY 29 Ca -0.06 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1t60 n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 30 N -0.78 2.53 -0.67 1.61 1.51 0.12 -1.47 117.35 120.20 1t60 s TYR 30 Ca 0.00 -0.28 -0.26 0.00 -1.01 0.00 0.00 57.07 55.52 1t60 s TYR 30 Cb 0.00 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1t60 s TYR 30 CO 0.00 0.19 1.79 -1.12 -1.11 0.00 0.00 175.55 175.29 1t60 s SER 31 N -1.15 5.39 -0.22 2.29 0.01 -0.13 -1.68 113.70 118.21 1t60 s SER 31 Ca 0.13 0.07 -0.20 0.00 1.31 0.00 0.00 55.95 57.26 1t60 s SER 31 Cb -0.10 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1t60 s SER 31 CO 0.03 -2.34 0.62 -0.22 0.41 0.00 0.00 173.24 171.74 1t60 s LEU 32 N 8.69 4.11 -0.18 2.44 2.96 0.50 -1.41 118.68 135.80 1t60 s LEU 32 Ca 0.63 0.76 -0.14 0.00 -0.22 0.00 0.00 54.13 55.16 1t60 s LEU 32 Cb -0.11 -2.86 -0.08 0.00 0.50 0.00 0.00 46.19 43.64 1t60 s LEU 32 CO 0.17 -0.31 -0.13 -0.11 -1.32 0.00 0.00 176.35 174.64 1t60 n LEU 33 N 5.32 1.86 -3.58 -0.68 7.94 -0.53 -4.62 117.00 122.70 1t60 n LEU 33 Ca -0.01 0.51 -0.07 0.00 -1.11 0.00 0.00 56.01 55.32 1t60 n LEU 33 Cb 0.49 -0.87 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 1t60 n LEU 33 CO 0.43 -0.16 0.64 -0.72 -1.11 0.00 0.00 177.39 176.47 1t60 s TYR 34 N -2.41 -0.31 0.23 1.96 1.13 -1.01 -1.56 117.35 115.38 1t60 s TYR 34 Ca -0.23 0.09 0.08 0.00 -1.41 0.00 0.00 57.07 55.60 1t60 s TYR 34 Cb 0.04 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 1t60 s TYR 34 CO 0.37 -0.71 0.07 -0.06 -2.51 0.00 0.00 175.55 172.71 1t60 s PHE 35 N -3.31 2.90 -0.21 -3.49 0.08 -0.44 -0.09 117.98 113.42 1t60 s PHE 35 Ca 0.07 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.94 1t60 s PHE 35 Cb -0.01 -1.34 0.07 0.00 -0.57 0.00 0.00 43.02 41.17 1t60 s PHE 35 CO -0.06 0.55 0.06 -2.00 -0.10 0.00 0.00 175.22 173.68 1t60 s GLU 36 N -3.47 0.51 -0.10 0.44 2.12 -0.74 -1.05 118.70 116.41 1t60 s GLU 36 Ca 0.31 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 55.24 1t60 s GLU 36 Cb -0.08 -1.96 -0.00 0.00 0.26 0.00 0.00 34.13 32.34 1t60 s GLU 36 CO 0.21 -0.72 -0.23 0.20 -0.54 0.00 0.00 175.26 174.19 1t60 s GLY 37 N 1.91 1.35 -1.46 -1.50 0.00 -1.05 -1.78 107.32 104.80 1t60 s GLY 37 Ca 0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1t60 s GLY 37 CO -0.13 -0.33 0.84 -1.06 0.00 0.00 0.00 173.10 172.42 1t60 n GLN 38 N 3.48 -5.67 -4.04 2.90 1.13 -1.26 -1.78 117.38 112.14 1t60 n GLN 38 Ca -0.19 0.75 -0.33 0.00 -1.94 0.00 0.00 57.00 55.29 1t60 n GLN 38 Cb 0.53 -5.65 -0.00 0.00 0.11 0.00 0.00 30.24 25.22 1t60 n GLN 38 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1t60 n GLU 39 N -4.41 -4.16 -3.94 -1.09 4.71 -1.26 -4.97 120.64 105.52 1t60 n GLU 39 Ca -0.03 0.47 -0.28 0.00 -0.01 0.00 0.00 57.16 57.31 1t60 n GLU 39 Cb 0.57 -5.28 -0.17 0.00 -1.01 0.00 0.00 31.44 25.56 1t60 n GLU 39 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1t60 s LYS 40 N -6.75 1.78 0.33 3.49 2.47 -0.74 -4.92 119.74 115.40 1t60 s LYS 40 Ca 0.70 -0.36 -0.27 0.00 -1.56 0.00 0.00 55.97 54.49 1t60 s LYS 40 Cb -0.37 -1.76 -0.09 0.00 -1.46 0.00 0.00 37.83 34.14 1t60 s LYS 40 CO 0.86 -0.26 1.01 0.00 0.16 0.00 0.00 175.35 177.12 1t60 s ALA 41 N 1.64 3.23 -0.19 3.13 0.00 -1.26 -2.53 121.76 125.77 1t60 s ALA 41 Ca 0.05 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1t60 s ALA 41 Cb -0.13 -3.24 0.06 0.00 0.00 0.00 0.00 23.12 19.81 1t60 s ALA 41 CO -0.09 -0.01 0.03 -1.58 0.00 0.00 0.00 175.76 174.11 1t60 s HIS 42 N -1.48 1.04 0.42 0.00 2.46 -0.21 -4.98 115.29 112.54 1t60 s HIS 42 Ca 0.50 -0.86 -0.01 0.00 0.47 0.00 0.00 55.06 55.17 1t60 s HIS 42 Cb -0.23 -1.03 -0.02 0.00 -0.13 0.00 0.00 32.58 31.16 1t60 s HIS 42 CO 0.29 -0.61 0.65 -0.80 -2.47 0.00 0.00 174.74 171.81 1t60 s ASN 43 N 1.85 6.08 -0.05 9.88 0.01 -1.26 -1.33 114.94 130.13 1t60 s ASN 43 Ca -0.01 0.49 0.06 0.00 -0.71 0.00 0.00 52.86 52.69 1t60 s ASN 43 Cb -0.17 -1.87 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 1t60 s ASN 43 CO -0.08 -0.53 -0.23 -1.10 -1.51 0.00 0.00 177.10 173.65 1t60 s GLN 44 N -4.52 2.49 -0.11 -0.60 -1.52 -0.60 -4.97 119.66 109.82 1t60 s GLN 44 Ca 0.45 -0.86 -0.29 0.00 -1.95 0.00 0.00 55.36 52.71 1t60 s GLN 44 Cb -0.10 -2.20 -0.04 0.00 -0.22 0.00 0.00 33.01 30.45 1t60 s GLN 44 CO 0.39 0.46 1.54 0.34 -0.25 0.00 0.00 175.29 177.76 1t60 s ASP 45 N -0.34 6.71 0.33 5.90 -1.08 -1.26 -4.82 116.67 122.10 1t60 s ASP 45 Ca 0.02 1.99 0.21 0.00 -0.52 0.00 0.00 52.55 54.25 1t60 s ASP 45 Cb -0.12 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.93 1t60 s ASP 45 CO 0.02 -0.93 1.62 0.18 0.52 0.00 0.00 175.17 176.58 1t60 n LEU 46 N 7.18 0.54 -0.56 -1.34 4.77 -1.26 -0.59 117.00 125.73 1t60 n LEU 46 Ca 0.16 0.74 0.12 0.00 -0.03 0.00 0.00 56.01 57.01 1t60 n LEU 46 Cb 0.44 -0.79 0.23 0.00 -2.33 0.00 0.00 43.42 40.97 1t60 n LEU 46 CO 0.61 -0.92 0.60 0.61 -1.33 0.00 0.00 177.39 176.96 1t60 n GLY 47 N -1.29 0.14 3.71 -0.72 0.00 -1.26 -4.37 105.19 101.41 1t60 n GLY 47 Ca -0.01 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1t60 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t60 s LEU 48 N -2.25 3.53 0.59 0.99 1.43 0.24 -4.31 118.68 118.91 1t60 s LEU 48 Ca 0.27 -0.21 0.29 0.00 -1.03 0.00 0.00 54.13 53.46 1t60 s LEU 48 Cb 0.20 -2.21 1.70 0.00 0.03 0.00 0.00 46.19 45.90 1t60 s LEU 48 CO 0.43 0.13 2.13 0.00 0.23 0.00 0.00 176.35 179.27 1t60 h ALA 49 N 3.01 1.73 0.00 4.21 0.00 -1.90 -1.54 119.26 124.77 1t60 h ALA 49 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t60 h ALA 49 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1t60 h ALA 49 CO 0.61 -0.25 0.00 0.78 0.00 0.00 0.00 179.25 180.39 1t60 h GLY 50 N 0.00 0.00 0.05 0.00 0.00 -1.95 -0.97 103.07 100.20 1t60 h GLY 50 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1t60 h GLY 50 CO -0.00 0.00 -0.02 -1.14 0.00 0.00 0.00 176.54 175.38 1t60 n SER 51 N -2.53 1.02 -4.06 0.19 3.41 -0.58 -4.54 113.62 106.52 1t60 n SER 51 Ca -0.01 -1.26 -0.34 0.00 -0.26 0.00 0.00 58.87 57.00 1t60 n SER 51 Cb 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.96 1t60 n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 53 N 0.42 4.08 0.23 0.00 2.96 -0.68 -4.80 118.68 120.90 1t60 s LEU 53 Ca 0.13 0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 54.48 1t60 s LEU 53 Cb -0.22 -2.71 0.31 0.00 0.50 0.00 0.00 46.19 44.07 1t60 s LEU 53 CO -0.04 -0.34 1.83 0.00 -1.32 0.00 0.00 176.35 176.49 1t60 h ALA 54 N 8.05 1.09 -3.13 5.97 0.00 -1.87 0.33 119.26 129.71 1t60 h ALA 54 Ca -0.28 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.97 1t60 h ALA 54 Cb 1.13 -0.19 -0.29 0.00 0.00 0.00 0.00 17.79 18.44 1t60 h ALA 54 CO 0.74 0.19 -0.78 1.03 0.00 0.00 0.00 179.25 180.43 1t60 s ARG 55 N -6.07 3.27 0.47 0.00 0.52 -1.26 -4.56 118.95 111.32 1t60 s ARG 55 Ca -0.13 -0.70 -0.12 0.00 -0.52 0.00 0.00 55.73 54.26 1t60 s ARG 55 Cb 0.18 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.83 1t60 s ARG 55 CO 0.78 -0.05 0.87 0.12 0.02 0.00 0.00 175.30 177.03 1t60 s PHE 56 N 1.03 3.48 -0.23 -0.53 2.19 -1.26 -4.98 117.98 117.68 1t60 s PHE 56 Ca -0.01 1.20 -0.28 0.00 0.33 0.00 0.00 56.93 58.18 1t60 s PHE 56 Cb -0.15 -2.58 0.14 0.00 -1.31 0.00 0.00 43.02 39.12 1t60 s PHE 56 CO -0.02 -0.26 1.10 0.45 1.83 0.00 0.00 175.22 178.32 1t60 s SER 57 N -3.27 -0.32 0.54 6.13 0.15 -1.26 -5.00 113.70 110.67 1t60 s SER 57 Ca 0.54 0.49 0.34 0.00 0.70 0.00 0.00 55.95 58.02 1t60 s SER 57 Cb -0.10 0.45 1.40 0.00 -1.71 0.00 0.00 66.02 66.06 1t60 s SER 57 CO 0.34 -0.20 1.99 0.71 1.20 0.00 0.00 173.24 177.27 1t60 h THR 58 N 2.94 0.00 -2.45 6.45 1.35 -1.95 -3.31 112.91 115.94 1t60 h THR 58 Ca -0.22 -0.47 -0.59 0.00 -0.55 0.00 0.00 66.41 64.58 1t60 h THR 58 Cb 1.17 1.45 -0.39 0.00 -1.73 0.00 0.00 68.15 68.66 1t60 h THR 58 CO 0.21 0.00 -0.93 -0.32 -0.25 0.00 0.00 175.52 174.24 1t60 s MET 59 N -3.67 1.09 0.00 4.72 -2.45 -1.26 -3.55 119.30 114.18 1t60 s MET 59 Ca 0.01 -2.25 0.23 0.00 -1.25 0.00 0.00 55.69 52.43 1t60 s MET 59 Cb 0.09 -1.66 1.39 0.00 1.25 0.00 0.00 34.83 35.90 1t60 s MET 59 CO 0.53 -1.37 1.83 -0.35 1.05 0.00 0.00 175.02 176.70 1t60 n PRO 60 N 2.75 0.89 -4.32 4.11 -0.04 -1.25 -4.87 135.00 132.28 1t60 n PRO 60 Ca 0.28 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.58 1t60 n PRO 60 Cb 0.46 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1t60 n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 61 N -2.00 1.53 0.18 0.54 -0.71 -1.26 -5.08 117.98 111.18 1t60 s PHE 61 Ca 0.35 -1.22 -0.02 0.00 -1.04 0.00 0.00 56.93 54.99 1t60 s PHE 61 Cb 0.16 -0.88 -0.04 0.00 -1.21 0.00 0.00 43.02 41.06 1t60 s PHE 61 CO 0.27 -0.38 0.14 -0.48 -1.34 0.00 0.00 175.22 173.42 1t60 s LEU 62 N -3.32 1.30 0.06 -1.99 0.05 -1.26 -4.50 118.68 109.02 1t60 s LEU 62 Ca 0.37 -1.27 0.00 0.00 0.05 0.00 0.00 54.13 53.29 1t60 s LEU 62 Cb 0.07 0.49 -0.04 0.00 -2.05 0.00 0.00 46.19 44.66 1t60 s LEU 62 CO 0.14 -0.82 -0.04 -0.72 -0.55 0.00 0.00 176.35 174.35 1t60 s TYR 63 N -4.10 0.63 0.11 3.48 -0.85 -0.89 -4.99 117.35 110.74 1t60 s TYR 63 Ca 0.32 -0.96 0.04 0.00 -0.52 0.00 0.00 57.07 55.94 1t60 s TYR 63 Cb 0.06 -0.42 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 1t60 s TYR 63 CO 0.08 -0.28 -0.10 0.00 -1.52 0.00 0.00 175.55 173.72 1t60 s ASN 65 N -2.68 3.44 0.52 0.00 2.20 -0.65 -5.00 114.94 112.77 1t60 s ASN 65 Ca 0.09 -1.06 0.39 0.00 -0.94 0.00 0.00 52.86 51.34 1t60 s ASN 65 Cb -0.01 -0.28 1.56 0.00 -2.00 0.00 0.00 41.25 40.52 1t60 s ASN 65 CO -0.00 -0.04 1.69 -0.65 -2.94 0.00 0.00 177.10 175.15 1t60 h PRO 66 N 2.27 0.04 -0.17 3.55 0.11 -2.02 -2.23 132.00 133.56 1t60 h PRO 66 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1t60 h PRO 66 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1t60 h PRO 66 CO 0.62 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 1t60 n GLY 67 N -1.76 0.15 3.61 -0.55 0.00 -1.26 -4.74 105.19 100.64 1t60 n GLY 67 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 1t60 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t60 n ASP 68 N 0.02 -3.29 -3.91 1.61 10.43 -0.84 -5.00 116.55 115.57 1t60 n ASP 68 Ca 0.00 -0.68 -0.19 0.00 2.57 0.00 0.00 54.79 56.50 1t60 n ASP 68 Cb 0.04 -4.65 -0.16 0.00 1.84 0.00 0.00 41.12 38.20 1t60 n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1t60 s VAL 69 N -3.42 0.49 0.10 2.53 1.01 -1.23 -5.03 120.40 114.85 1t60 s VAL 69 Ca 0.24 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1t60 s VAL 69 Cb -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1t60 s VAL 69 CO 0.77 0.19 -0.24 0.00 0.00 0.00 0.00 175.10 175.82 1t60 s TYR 71 N -1.02 2.10 -0.17 0.00 2.02 0.55 -4.98 117.35 115.86 1t60 s TYR 71 Ca 0.10 -0.96 -0.01 0.00 -0.37 0.00 0.00 57.07 55.84 1t60 s TYR 71 Cb -0.10 -1.48 -0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1t60 s TYR 71 CO 0.04 -0.46 -0.13 -0.47 -1.57 0.00 0.00 175.55 172.96 1t60 s TYR 72 N 0.82 2.83 -1.57 2.71 6.14 -1.26 -2.10 117.35 124.92 1t60 s TYR 72 Ca -0.10 -1.00 -0.16 0.00 0.64 0.00 0.00 57.07 56.46 1t60 s TYR 72 Cb -0.16 -1.93 0.14 0.00 0.42 0.00 0.00 41.96 40.43 1t60 s TYR 72 CO 0.01 -0.47 0.71 0.00 0.64 0.00 0.00 175.55 176.44 1t60 n ALA 73 N 4.17 -1.20 -1.15 3.97 0.00 -1.26 -4.84 120.51 120.20 1t60 n ALA 73 Ca -0.19 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.35 1t60 n ALA 73 Cb 0.52 -3.30 0.19 0.00 0.00 0.00 0.00 19.45 16.85 1t60 n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 74 N -2.54 2.70 0.00 0.00 7.64 -1.26 -4.72 113.62 115.44 1t60 n SER 74 Ca 0.06 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.70 1t60 n SER 74 Cb 0.50 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1t60 n SER 74 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 75 N -1.12 0.00 -2.02 1.43 0.63 -1.26 -5.08 116.66 109.24 1t60 n ARG 75 Ca 0.19 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.13 1t60 n ARG 75 Cb 0.75 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.71 1t60 n ARG 75 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1t60 n ASN 76 N 0.00 1.49 -4.85 6.15 4.05 -1.26 -4.85 115.26 115.99 1t60 n ASN 76 Ca 0.00 -2.22 -0.26 0.00 0.45 0.00 0.00 54.58 52.55 1t60 n ASN 76 Cb 0.00 -0.39 0.08 0.00 1.23 0.00 0.00 39.78 40.70 1t60 n ASN 76 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1t60 s ASP 77 N -2.90 4.65 0.31 1.20 -0.00 -1.26 -4.94 116.67 113.72 1t60 s ASP 77 Ca 0.32 0.39 0.04 0.00 -0.00 0.00 0.00 52.55 53.31 1t60 s ASP 77 Cb 0.36 -0.98 -0.01 0.00 -0.00 0.00 0.00 42.92 42.29 1t60 s ASP 77 CO -0.10 -1.71 0.32 0.29 -0.00 0.00 0.00 175.17 173.98 1t60 n LYS 78 N -2.99 0.47 -3.80 8.23 5.02 -0.73 -2.54 118.16 121.82 1t60 n LYS 78 Ca 0.09 -2.84 -0.12 0.00 -2.02 0.00 0.00 58.31 53.41 1t60 n LYS 78 Cb 0.60 2.47 -0.10 0.00 -0.02 0.00 0.00 35.03 37.98 1t60 n LYS 78 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1t60 s SER 79 N -3.06 -0.18 -0.03 4.39 1.04 -0.77 -1.79 113.70 113.31 1t60 s SER 79 Ca 0.33 0.23 0.06 0.00 0.48 0.00 0.00 55.95 57.05 1t60 s SER 79 Cb 0.01 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1t60 s SER 79 CO 0.23 -0.25 -0.22 -0.31 0.98 0.00 0.00 173.24 173.68 1t60 s TYR 80 N -0.61 1.99 0.05 5.02 2.02 0.87 -0.50 117.35 126.20 1t60 s TYR 80 Ca -0.07 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1t60 s TYR 80 Cb -0.04 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 1t60 s TYR 80 CO 0.02 -0.08 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.26 1t60 s TRP 81 N -0.37 0.70 0.41 2.71 0.52 -0.70 -1.45 118.94 120.76 1t60 s TRP 81 Ca 0.05 -0.55 -0.26 0.00 0.02 0.00 0.00 56.10 55.36 1t60 s TRP 81 Cb -0.10 -0.42 -0.09 0.00 -1.15 0.00 0.00 33.47 31.72 1t60 s TRP 81 CO 0.00 -0.09 1.32 -0.51 0.02 0.00 0.00 176.95 177.69 1t60 s LEU 82 N -1.75 4.20 0.48 2.99 1.43 -0.50 0.25 118.68 125.77 1t60 s LEU 82 Ca -0.07 2.68 0.05 0.00 -1.03 0.00 0.00 54.13 55.76 1t60 s LEU 82 Cb -0.08 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 1t60 s LEU 82 CO -0.00 -0.89 0.20 -0.94 0.23 0.00 0.00 176.35 174.95 1t60 s SER 83 N -0.71 4.40 0.03 2.29 1.04 0.11 -1.08 113.70 119.78 1t60 s SER 83 Ca 0.57 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1t60 s SER 83 Cb -0.39 0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1t60 s SER 83 CO 0.50 -0.79 0.00 0.35 0.98 0.00 0.00 173.24 174.27 1t60 n THR 84 N -1.40 0.00 0.51 2.02 -2.24 -0.47 -4.56 114.28 108.13 1t60 n THR 84 Ca -0.06 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 1t60 n THR 84 Cb 0.65 -1.07 0.26 0.00 -2.10 0.00 0.00 70.33 68.07 1t60 n THR 84 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t60 n THR 85 N -0.50 0.55 -1.62 4.28 -2.24 -1.26 -4.96 114.28 108.54 1t60 n THR 85 Ca 0.00 -0.64 -0.49 0.00 -2.27 0.00 0.00 64.05 60.65 1t60 n THR 85 Cb 0.00 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1t60 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t60 n ALA 86 N 1.01 -0.04 -1.22 6.98 0.00 -1.26 -4.85 120.51 121.12 1t60 n ALA 86 Ca 0.18 0.47 -0.37 0.00 0.00 0.00 0.00 53.44 53.72 1t60 n ALA 86 Cb 0.46 -2.16 0.05 0.00 0.00 0.00 0.00 19.45 17.80 1t60 n ALA 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t60 n PRO 87 N 2.51 0.19 -2.06 0.00 -0.04 -1.26 -4.85 135.00 129.49 1t60 n PRO 87 Ca 0.16 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 1t60 n PRO 87 Cb 0.24 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1t60 n PRO 87 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1t60 s LEU 88 N 2.06 3.80 0.78 1.53 1.98 -1.26 -4.97 118.68 122.59 1t60 s LEU 88 Ca 0.60 1.57 -0.13 0.00 -2.89 0.00 0.00 54.13 53.28 1t60 s LEU 88 Cb -0.36 -3.53 0.06 0.00 0.66 0.00 0.00 46.19 43.02 1t60 s LEU 88 CO 0.63 -1.38 1.17 -2.16 -1.89 0.00 0.00 176.35 172.71 1t60 s PRO 89 N 4.96 1.93 0.23 0.98 0.04 -1.26 -4.92 135.00 136.96 1t60 s PRO 89 Ca 0.75 1.59 0.26 0.00 0.04 0.00 0.00 61.00 63.64 1t60 s PRO 89 Cb -0.25 -1.83 0.81 0.00 0.04 0.00 0.00 34.50 33.28 1t60 s PRO 89 CO 0.31 -1.96 1.77 -1.33 0.04 0.00 0.00 177.00 175.83 1t60 n MET 90 N -3.18 0.27 -3.63 4.56 2.81 -1.26 -4.89 117.12 111.80 1t60 n MET 90 Ca 0.12 0.25 -0.04 0.00 -1.81 0.00 0.00 57.70 56.22 1t60 n MET 90 Cb 0.51 -1.83 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 1t60 n MET 90 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1t60 s MET 91 N -3.13 0.75 0.07 0.03 0.23 -1.26 -5.15 119.30 110.85 1t60 s MET 91 Ca 0.10 -0.36 -0.34 0.00 -1.03 0.00 0.00 55.69 54.06 1t60 s MET 91 Cb 0.12 0.29 -0.18 0.00 -1.53 0.00 0.00 34.83 33.53 1t60 s MET 91 CO 0.58 -0.34 0.82 -2.30 -2.03 0.00 0.00 175.02 171.76 1t60 n PRO 92 N -0.35 0.00 -3.69 3.16 -0.02 -1.26 -4.96 135.00 127.88 1t60 n PRO 92 Ca -0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.05 1t60 n PRO 92 Cb 0.61 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.77 1t60 n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t60 s VAL 93 N -0.37 5.35 0.15 -1.45 -7.23 -0.36 -4.89 120.40 111.59 1t60 s VAL 93 Ca 0.77 0.41 0.08 0.00 -1.81 0.00 0.00 61.98 61.43 1t60 s VAL 93 Cb -1.09 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 32.28 1t60 s VAL 93 CO 0.54 0.51 -0.11 0.00 -0.31 0.00 0.00 175.10 175.73 1t60 s ALA 94 N -0.36 2.90 0.00 1.32 0.00 -1.26 -1.66 121.76 122.69 1t60 s ALA 94 Ca 0.16 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1t60 s ALA 94 Cb -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1t60 s ALA 94 CO 0.04 0.54 0.00 0.39 0.00 0.00 0.00 175.76 176.74 1t60 n GLU 95 N 0.39 0.00 0.04 0.00 1.02 -1.11 -0.94 120.64 120.03 1t60 n GLU 95 Ca -0.13 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.22 1t60 n GLU 95 Cb 0.54 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.69 1t60 n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1t60 h GLU 96 N 0.00 0.00 0.00 3.49 4.39 -1.96 0.15 114.58 120.65 1t60 h GLU 96 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t60 h GLU 96 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t60 h GLU 96 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1t60 n ASP 97 N -4.11 0.18 0.11 1.42 8.00 -0.12 -2.61 116.55 119.42 1t60 n ASP 97 Ca 0.08 0.55 -0.18 0.00 0.71 0.00 0.00 54.79 55.95 1t60 n ASP 97 Cb 0.59 -0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1t60 n ASP 97 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1t60 h ILE 98 N 0.00 1.41 -0.95 0.53 2.04 -0.77 -3.38 117.51 116.38 1t60 h ILE 98 Ca 0.00 -2.82 0.17 0.00 1.00 0.00 0.00 64.86 63.21 1t60 h ILE 98 Cb 0.25 2.86 -0.17 0.00 -0.74 0.00 0.00 36.82 39.02 1t60 h ILE 98 CO 0.00 0.83 -0.29 -1.14 0.00 0.00 0.00 178.15 177.56 1t60 n ARG 99 N -3.64 -0.14 0.29 2.37 3.00 -1.07 -0.79 116.66 116.68 1t60 n ARG 99 Ca -0.11 1.48 0.19 0.00 -0.00 0.00 0.00 57.85 59.41 1t60 n ARG 99 Cb 1.01 -2.20 1.01 0.00 0.00 0.00 0.00 32.46 32.28 1t60 n ARG 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1t60 h PRO 100 N 0.00 0.00 0.00 -0.14 0.11 -1.79 -3.05 132.00 127.12 1t60 h PRO 100 Ca 0.41 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.48 1t60 h PRO 100 Cb 0.65 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1t60 h PRO 100 CO -0.97 0.00 -1.18 0.66 -0.21 0.00 0.00 178.00 176.31 1t60 n TYR 101 N -2.88 0.89 -3.11 0.65 4.01 0.03 -4.60 117.16 112.15 1t60 n TYR 101 Ca -0.02 0.27 -0.40 0.00 -0.16 0.00 0.00 57.90 57.59 1t60 n TYR 101 Cb 0.10 -0.95 -0.05 0.00 -0.31 0.00 0.00 39.34 38.12 1t60 n TYR 101 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1t60 s ILE 102 N -3.28 5.05 0.48 -0.72 1.09 -1.16 -1.37 121.20 121.29 1t60 s ILE 102 Ca -0.02 1.27 -0.23 0.00 -1.10 0.00 0.00 60.65 60.58 1t60 s ILE 102 Cb 0.10 -3.97 -0.07 0.00 -1.06 0.00 0.00 42.46 37.46 1t60 s ILE 102 CO 0.80 0.20 1.21 -0.55 -0.10 0.00 0.00 174.94 176.50 1t60 s SER 103 N 0.93 5.99 0.24 3.58 0.15 -0.24 -4.42 113.70 119.92 1t60 s SER 103 Ca 0.32 2.40 0.06 0.00 0.70 0.00 0.00 55.95 59.43 1t60 s SER 103 Cb -0.16 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 1t60 s SER 103 CO 0.13 -1.05 0.27 -0.13 1.20 0.00 0.00 173.24 173.67 1t60 s ARG 104 N -2.73 3.19 0.12 5.44 1.81 -0.85 -0.95 118.95 124.97 1t60 s ARG 104 Ca 0.65 -0.89 -0.07 0.00 -1.72 0.00 0.00 55.73 53.70 1t60 s ARG 104 Cb -0.31 -2.74 -0.01 0.00 -0.45 0.00 0.00 34.95 31.44 1t60 s ARG 104 CO 0.37 0.42 0.18 0.00 -0.68 0.00 0.00 175.30 175.60 1t60 s SER 106 N -2.93 0.08 -0.26 0.00 0.01 -0.11 -0.79 113.70 109.69 1t60 s SER 106 Ca 0.12 0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.30 1t60 s SER 106 Cb 0.05 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.22 1t60 s SER 106 CO -0.05 -0.03 0.10 -0.69 0.41 0.00 0.00 173.24 172.98 1t60 s VAL 107 N 0.26 4.51 -0.05 3.43 1.01 0.08 -1.55 120.40 128.09 1t60 s VAL 107 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1t60 s VAL 107 Cb -0.03 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1t60 s VAL 107 CO -0.01 0.31 -0.16 0.00 0.00 0.00 0.00 175.10 175.24 1t60 s GLU 109 N -0.57 3.78 0.20 0.00 2.12 0.51 0.14 118.70 124.88 1t60 s GLU 109 Ca 0.08 0.85 0.05 0.00 0.36 0.00 0.00 54.97 56.32 1t60 s GLU 109 Cb -0.11 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1t60 s GLU 109 CO 0.01 -1.30 0.20 0.00 -0.54 0.00 0.00 175.26 173.63 1t60 s ALA 110 N 4.54 3.67 0.17 6.30 0.00 -1.26 -3.74 121.76 131.45 1t60 s ALA 110 Ca 0.52 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 1t60 s ALA 110 Cb -0.11 -1.44 0.06 0.00 0.00 0.00 0.00 23.12 21.62 1t60 s ALA 110 CO 0.28 0.39 1.44 -1.00 0.00 0.00 0.00 175.76 176.88 1t60 h PRO 111 N 1.93 0.49 0.00 0.00 0.13 -1.95 -3.41 132.00 129.19 1t60 h PRO 111 Ca -0.49 -0.37 -0.36 0.00 -0.87 0.00 0.00 66.00 63.92 1t60 h PRO 111 Cb 1.22 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1t60 h PRO 111 CO 0.63 0.99 -0.35 0.00 -0.23 0.00 0.00 178.00 179.05 1t60 n ALA 112 N -2.52 0.52 -1.78 -0.56 0.00 -1.26 -5.10 120.51 109.80 1t60 n ALA 112 Ca -0.04 -1.45 -0.37 0.00 0.00 0.00 0.00 53.44 51.57 1t60 n ALA 112 Cb 0.68 1.15 -0.04 0.00 0.00 0.00 0.00 19.45 21.24 1t60 n ALA 112 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t60 s VAL 113 N -2.97 3.75 -0.09 0.00 1.01 -1.26 -4.77 120.40 116.07 1t60 s VAL 113 Ca 0.28 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.68 1t60 s VAL 113 Cb 0.01 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1t60 s VAL 113 CO 0.20 0.06 -0.16 0.00 0.00 0.00 0.00 175.10 175.20 1t60 s ALA 114 N -1.60 2.52 0.30 5.51 0.00 -1.26 -3.07 121.76 124.16 1t60 s ALA 114 Ca 0.55 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.60 1t60 s ALA 114 Cb -0.23 -1.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.81 1t60 s ALA 114 CO 0.29 0.36 0.08 0.96 0.00 0.00 0.00 175.76 177.45 1t60 s ILE 115 N -0.03 0.91 0.09 0.00 -4.36 -0.04 -4.64 121.20 113.14 1t60 s ILE 115 Ca -0.04 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.43 1t60 s ILE 115 Cb -0.14 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.82 1t60 s ILE 115 CO 0.04 0.00 -0.22 0.00 0.24 0.00 0.00 174.94 175.00 1t60 s ALA 116 N -3.48 1.90 0.04 2.27 0.00 -0.64 -0.12 121.76 121.73 1t60 s ALA 116 Ca 0.37 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1t60 s ALA 116 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1t60 s ALA 116 CO 0.15 0.41 -0.13 0.14 0.00 0.00 0.00 175.76 176.32 1t60 s VAL 117 N -1.03 1.05 -0.00 0.00 -7.23 -0.72 -4.47 120.40 108.01 1t60 s VAL 117 Ca 0.08 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.29 1t60 s VAL 117 Cb -0.10 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 1t60 s VAL 117 CO 0.04 -0.04 -0.17 -1.00 -0.31 0.00 0.00 175.10 173.61 1t60 s HIS 118 N -0.91 1.54 -0.11 2.82 3.76 -1.26 -2.03 115.29 119.10 1t60 s HIS 118 Ca 0.00 -0.31 0.20 0.00 -0.15 0.00 0.00 55.06 54.81 1t60 s HIS 118 Cb -0.08 -0.97 -0.24 0.00 1.11 0.00 0.00 32.58 32.39 1t60 s HIS 118 CO 0.01 -0.00 0.49 -1.13 -0.85 0.00 0.00 174.74 173.26 1t60 n SER 119 N 2.47 0.25 -3.75 1.40 3.41 -0.49 -4.96 113.62 111.95 1t60 n SER 119 Ca -0.15 0.10 -0.28 0.00 -0.26 0.00 0.00 58.87 58.28 1t60 n SER 119 Cb 0.54 1.22 0.04 0.00 -0.26 0.00 0.00 64.21 65.76 1t60 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 120 N -2.56 -6.19 -3.70 4.33 6.02 -1.26 -4.92 117.38 109.11 1t60 n GLN 120 Ca -0.13 0.68 -0.10 0.00 -0.01 0.00 0.00 57.00 57.45 1t60 n GLN 120 Cb 0.78 -5.62 -0.04 0.00 1.02 0.00 0.00 30.24 26.38 1t60 n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1t60 s ASP 121 N -3.25 -0.26 0.38 1.08 2.15 -1.26 -0.70 116.67 114.82 1t60 s ASP 121 Ca 0.62 -0.42 0.15 0.00 0.43 0.00 0.00 52.55 53.33 1t60 s ASP 121 Cb -0.30 0.54 0.78 0.00 -0.30 0.00 0.00 42.92 43.65 1t60 s ASP 121 CO 0.76 -0.98 1.83 0.58 -0.17 0.00 0.00 175.17 177.19 1t60 h VAL 122 N 2.25 1.16 -3.52 1.11 2.07 -1.87 -3.16 116.25 114.28 1t60 h VAL 122 Ca -0.31 -1.25 -0.53 0.00 0.82 0.00 0.00 66.70 65.43 1t60 h VAL 122 Cb 1.26 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1t60 h VAL 122 CO 0.41 0.35 0.25 -0.94 0.02 0.00 0.00 177.57 177.65 1t60 s SER 123 N -6.80 7.39 0.12 0.57 1.04 -1.26 -4.84 113.70 109.92 1t60 s SER 123 Ca -0.02 1.65 -0.31 0.00 0.48 0.00 0.00 55.95 57.75 1t60 s SER 123 Cb 0.14 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.65 1t60 s SER 123 CO 0.71 0.04 1.43 -0.63 0.98 0.00 0.00 173.24 175.77 1t60 s ILE 124 N -0.36 3.18 0.28 -1.02 1.01 -1.26 -4.73 121.20 118.30 1t60 s ILE 124 Ca 0.41 0.84 -0.29 0.00 0.00 0.00 0.00 60.65 61.61 1t60 s ILE 124 Cb -0.22 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.61 1t60 s ILE 124 CO 0.27 0.06 1.09 -2.16 0.00 0.00 0.00 174.94 174.20 1t60 s PRO 125 N 1.16 4.63 0.59 2.79 0.04 -1.26 -5.03 135.00 137.92 1t60 s PRO 125 Ca 0.66 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 1t60 s PRO 125 Cb -0.38 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1t60 s PRO 125 CO 0.30 0.22 1.04 -1.01 0.04 0.00 0.00 177.00 177.59 1t60 s HIS 126 N -1.18 3.10 0.64 0.56 3.76 -1.26 -4.63 115.29 116.27 1t60 s HIS 126 Ca 0.45 1.49 -0.14 0.00 -0.15 0.00 0.00 55.06 56.71 1t60 s HIS 126 Cb -0.31 -2.95 -0.01 0.00 1.11 0.00 0.00 32.58 30.42 1t60 s HIS 126 CO 0.40 -0.99 1.06 0.00 -0.85 0.00 0.00 174.74 174.36 1t60 s PRO 128 N -4.41 1.39 0.17 0.00 0.02 -1.26 -4.84 135.00 126.06 1t60 s PRO 128 Ca 0.62 1.60 -0.32 0.00 0.02 0.00 0.00 61.00 62.92 1t60 s PRO 128 Cb -0.16 -1.76 -0.12 0.00 0.02 0.00 0.00 34.50 32.48 1t60 s PRO 128 CO 0.44 -2.37 1.72 0.00 -0.33 0.00 0.00 177.00 176.46 1t60 n ALA 129 N -3.77 2.27 -0.32 -1.55 0.00 -1.26 -1.38 120.51 114.49 1t60 n ALA 129 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1t60 n ALA 129 Cb 0.51 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1t60 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 130 N 3.90 0.70 3.48 0.00 0.00 -1.26 -5.03 105.19 106.99 1t60 n GLY 130 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1t60 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 131 N -2.50 2.52 0.05 1.61 0.52 -0.48 0.54 118.94 121.20 1t60 s TRP 131 Ca 0.00 -0.27 0.06 0.00 0.02 0.00 0.00 56.10 55.91 1t60 s TRP 131 Cb 0.00 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 1t60 s TRP 131 CO 0.00 0.39 -0.12 0.50 0.02 0.00 0.00 176.95 177.74 1t60 s ARG 132 N -2.19 2.22 0.26 4.98 3.52 0.44 -4.73 118.95 123.46 1t60 s ARG 132 Ca 0.18 -0.93 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1t60 s ARG 132 Cb -0.10 -2.31 -0.09 0.00 -1.56 0.00 0.00 34.95 30.88 1t60 s ARG 132 CO 0.10 0.54 1.08 0.45 -0.81 0.00 0.00 175.30 176.66 1t60 s SER 133 N -1.72 7.33 -0.13 -2.12 0.15 -1.26 -0.72 113.70 115.23 1t60 s SER 133 Ca 0.18 2.20 0.07 0.00 0.70 0.00 0.00 55.95 59.10 1t60 s SER 133 Cb -0.11 -2.62 -0.13 0.00 -1.71 0.00 0.00 66.02 61.45 1t60 s SER 133 CO 0.09 -0.10 -0.03 0.18 1.20 0.00 0.00 173.24 174.58 1t60 n LEU 134 N 1.37 1.13 -3.62 3.45 4.77 0.71 -4.91 117.00 119.90 1t60 n LEU 134 Ca -0.01 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 1t60 n LEU 134 Cb 0.45 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1t60 n LEU 134 CO 0.53 0.47 1.15 -1.66 -1.33 0.00 0.00 177.39 176.54 1t60 s TRP 135 N -2.29 -0.04 0.36 -1.77 -2.14 -1.21 -5.00 118.94 106.85 1t60 s TRP 135 Ca -0.11 0.01 0.09 0.00 2.66 0.00 0.00 56.10 58.75 1t60 s TRP 135 Cb 0.04 0.51 -0.06 0.00 -3.10 0.00 0.00 33.47 30.86 1t60 s TRP 135 CO 0.43 -0.07 -0.00 0.96 -2.66 0.00 0.00 176.95 175.60 1t60 s ILE 136 N -2.14 2.39 0.00 0.66 -0.00 -1.26 -0.38 121.20 120.46 1t60 s ILE 136 Ca 0.12 -2.02 0.00 0.00 -0.00 0.00 0.00 60.65 58.75 1t60 s ILE 136 Cb 0.01 -2.80 0.00 0.00 -0.00 0.00 0.00 42.46 39.67 1t60 s ILE 136 CO -0.04 -0.15 0.00 0.61 -0.00 0.00 0.00 174.94 175.36 1t60 n GLY 137 N -0.94 1.49 3.43 6.27 0.00 -0.52 -4.34 105.19 110.58 1t60 n GLY 137 Ca -0.04 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1t60 n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 138 N -1.33 2.39 -0.84 1.61 1.51 0.14 -2.00 117.35 118.82 1t60 s TYR 138 Ca 0.00 -0.34 -0.25 0.00 -1.01 0.00 0.00 57.07 55.47 1t60 s TYR 138 Cb 0.00 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1t60 s TYR 138 CO 0.00 0.37 1.65 -1.12 -1.11 0.00 0.00 175.55 175.34 1t60 s SER 139 N -2.17 5.78 -0.48 2.29 0.01 -0.59 -2.19 113.70 116.35 1t60 s SER 139 Ca 0.16 -0.65 -0.23 0.00 1.31 0.00 0.00 55.95 56.54 1t60 s SER 139 Cb -0.10 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.61 1t60 s SER 139 CO 0.08 -2.12 0.83 0.12 0.41 0.00 0.00 173.24 172.55 1t60 s PHE 140 N 7.49 2.94 -0.17 2.43 5.36 -0.01 -1.94 117.98 134.07 1t60 s PHE 140 Ca 0.55 0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 56.48 1t60 s PHE 140 Cb -0.06 -3.78 -0.08 0.00 -0.34 0.00 0.00 43.02 38.76 1t60 s PHE 140 CO 0.04 -1.09 -0.13 -0.11 -1.46 0.00 0.00 175.22 172.48 1t60 n LEU 141 N 6.90 1.85 0.00 6.12 7.94 -0.38 -4.53 117.00 134.91 1t60 n LEU 141 Ca 0.02 0.52 -0.11 0.00 -1.11 0.00 0.00 56.01 55.33 1t60 n LEU 141 Cb 0.48 -0.87 -0.00 0.00 0.53 0.00 0.00 43.42 43.56 1t60 n LEU 141 CO 0.60 -0.19 0.33 1.15 -1.11 0.00 0.00 177.39 178.17 1t60 n MET 142 N -4.52 0.85 -3.48 1.96 0.00 -1.06 -0.73 117.12 110.14 1t60 n MET 142 Ca -0.18 -2.30 -0.14 0.00 0.00 0.00 0.00 57.70 55.09 1t60 n MET 142 Cb 0.45 2.51 -0.04 0.00 0.00 0.00 0.00 33.22 36.15 1t60 n MET 142 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 143 N -2.94 -0.53 0.03 3.17 -3.43 0.48 -0.62 115.29 111.45 1t60 s HIS 143 Ca 0.20 0.50 -0.08 0.00 -0.80 0.00 0.00 55.06 54.89 1t60 s HIS 143 Cb -0.03 0.47 -0.00 0.00 -1.43 0.00 0.00 32.58 31.59 1t60 s HIS 143 CO 0.15 -0.75 0.15 0.95 -2.00 0.00 0.00 174.74 173.24 1t60 s THR 144 N -2.97 0.11 0.00 -5.38 -4.23 -0.96 -1.18 115.64 101.03 1t60 s THR 144 Ca -0.03 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1t60 s THR 144 Cb -0.01 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1t60 s THR 144 CO -0.06 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 173.54 1t60 n ALA 145 N 0.97 0.00 -1.67 3.99 0.00 -0.55 -1.14 120.51 122.11 1t60 n ALA 145 Ca -0.20 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.79 1t60 n ALA 145 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1t60 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t60 n ALA 146 N -3.00 1.18 -0.93 0.00 0.00 -1.26 -4.57 120.51 111.93 1t60 n ALA 146 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1t60 n ALA 146 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1t60 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 147 N 2.59 3.35 0.46 0.00 0.00 -1.26 -2.09 105.19 108.24 1t60 n GLY 147 Ca 0.13 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1t60 n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t60 n ASP 148 N 3.55 2.11 -4.87 1.61 3.85 -1.26 -5.02 116.55 116.52 1t60 n ASP 148 Ca 0.00 -3.55 -0.31 0.00 -0.71 0.00 0.00 54.79 50.22 1t60 n ASP 148 Cb 0.00 -0.50 -0.04 0.00 -1.35 0.00 0.00 41.12 39.23 1t60 n ASP 148 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1t60 s GLU 149 N -3.09 3.82 0.00 0.11 0.41 -0.89 -4.93 118.70 114.13 1t60 s GLU 149 Ca 0.36 0.49 0.00 0.00 -0.41 0.00 0.00 54.97 55.41 1t60 s GLU 149 Cb 0.34 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 1t60 s GLU 149 CO -0.02 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.18 1t60 n GLY 150 N -1.07 -0.73 0.00 -1.39 0.00 -1.26 -1.48 105.19 99.26 1t60 n GLY 150 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1t60 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t60 n GLY 151 N 0.00 -0.95 3.83 -0.02 0.00 -0.33 -4.77 105.19 102.96 1t60 n GLY 151 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 1t60 n GLY 151 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t60 s GLY 152 N 0.00 0.05 0.23 -0.02 0.00 -1.26 -0.38 107.32 105.94 1t60 s GLY 152 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 44.72 44.39 1t60 s GLY 152 CO 0.00 0.02 0.14 1.20 0.00 0.00 0.00 173.10 174.46 1t60 s GLN 153 N -3.19 2.77 -0.19 2.90 -1.52 0.09 -4.94 119.66 115.59 1t60 s GLN 153 Ca 0.13 -1.09 -0.23 0.00 -1.95 0.00 0.00 55.36 52.22 1t60 s GLN 153 Cb -0.05 -2.49 -0.02 0.00 -0.22 0.00 0.00 33.01 30.23 1t60 s GLN 153 CO 0.08 0.41 0.75 0.45 -0.25 0.00 0.00 175.29 176.73 1t60 s SER 154 N -3.63 6.84 0.37 5.90 0.15 -1.26 -4.91 113.70 117.16 1t60 s SER 154 Ca 0.32 1.03 0.26 0.00 0.70 0.00 0.00 55.95 58.25 1t60 s SER 154 Cb -0.08 -2.41 1.33 0.00 -1.71 0.00 0.00 66.02 63.14 1t60 s SER 154 CO 0.23 -0.36 1.78 -0.07 1.20 0.00 0.00 173.24 176.03 1t60 h LEU 155 N 8.35 0.00 -0.48 3.45 3.38 -1.95 0.54 115.31 128.59 1t60 h LEU 155 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1t60 h LEU 155 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1t60 h LEU 155 CO 0.81 0.00 -0.56 0.55 0.09 0.00 0.00 178.44 179.33 1t60 n VAL 156 N -2.40 0.00 -3.27 1.22 3.14 -1.26 -4.49 118.33 111.26 1t60 n VAL 156 Ca -0.01 -0.13 -0.36 0.00 -2.96 0.00 0.00 64.34 60.88 1t60 n VAL 156 Cb 0.08 0.85 -0.06 0.00 -1.06 0.00 0.00 33.84 33.65 1t60 n VAL 156 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1t60 s SER 157 N -2.69 6.95 0.60 6.55 0.15 0.18 -1.62 113.70 123.82 1t60 s SER 157 Ca 0.16 1.22 0.30 0.00 0.70 0.00 0.00 55.95 58.33 1t60 s SER 157 Cb 0.18 -2.34 1.71 0.00 -1.71 0.00 0.00 66.02 63.86 1t60 s SER 157 CO 0.66 0.14 2.10 -0.65 1.20 0.00 0.00 173.24 176.69 1t60 h PRO 158 N 3.81 0.00 0.00 5.44 0.11 -1.84 -0.91 132.00 138.61 1t60 h PRO 158 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1t60 h PRO 158 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t60 h PRO 158 CO 0.65 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 1t60 n GLY 159 N -1.37 -1.02 0.56 -0.55 0.00 -1.26 -1.41 105.19 100.14 1t60 n GLY 159 Ca 0.01 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.27 1t60 n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t60 n SER 160 N -2.09 1.75 -3.90 1.61 3.41 -0.35 -4.65 113.62 109.40 1t60 n SER 160 Ca 0.01 -1.58 -0.30 0.00 -0.26 0.00 0.00 58.87 56.74 1t60 n SER 160 Cb 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1t60 n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 162 N 0.22 4.44 0.21 0.00 1.43 -0.93 -4.79 118.68 119.26 1t60 s LEU 162 Ca 0.15 1.07 -0.05 0.00 -1.03 0.00 0.00 54.13 54.27 1t60 s LEU 162 Cb -0.24 -2.78 0.17 0.00 0.03 0.00 0.00 46.19 43.38 1t60 s LEU 162 CO -0.03 0.20 1.65 -0.33 0.23 0.00 0.00 176.35 178.06 1t60 h GLU 163 N 5.25 0.86 -4.95 1.70 5.08 -1.88 0.40 114.58 121.04 1t60 h GLU 163 Ca -0.48 -0.31 -0.65 0.00 -1.00 0.00 0.00 59.36 56.92 1t60 h GLU 163 Cb 1.21 -0.06 -0.22 0.00 0.50 0.00 0.00 28.75 30.18 1t60 h GLU 163 CO 0.67 0.95 -0.61 -0.51 -1.00 0.00 0.00 179.01 178.50 1t60 s ASP 164 N -6.70 5.21 0.15 1.42 -0.00 -1.26 -4.61 116.67 110.89 1t60 s ASP 164 Ca -0.10 -0.19 -0.30 0.00 -0.00 0.00 0.00 52.55 51.96 1t60 s ASP 164 Cb 0.13 -1.94 -0.07 0.00 -0.00 0.00 0.00 42.92 41.04 1t60 s ASP 164 CO 0.84 -0.04 1.13 0.12 -0.00 0.00 0.00 175.17 177.22 1t60 s PHE 165 N 1.63 3.54 -0.03 4.23 2.19 -1.26 -4.94 117.98 123.34 1t60 s PHE 165 Ca 0.06 1.52 -0.00 0.00 0.33 0.00 0.00 56.93 58.84 1t60 s PHE 165 Cb -0.15 -3.32 0.03 0.00 -1.31 0.00 0.00 43.02 38.27 1t60 s PHE 165 CO 0.04 -0.80 0.03 1.03 1.83 0.00 0.00 175.22 177.35 1t60 s ARG 166 N -0.03 0.06 0.44 10.12 1.81 -1.26 -5.02 118.95 125.07 1t60 s ARG 166 Ca 0.52 0.18 0.12 0.00 -1.72 0.00 0.00 55.73 54.83 1t60 s ARG 166 Cb -0.30 -0.37 0.98 0.00 -0.45 0.00 0.00 34.95 34.81 1t60 s ARG 166 CO 0.34 -0.19 2.01 0.00 -0.68 0.00 0.00 175.30 176.78 1t60 h ALA 167 N 7.48 1.71 -2.67 2.13 0.00 -1.99 -3.30 119.26 122.62 1t60 h ALA 167 Ca -0.40 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 53.79 1t60 h ALA 167 Cb 1.12 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.46 1t60 h ALA 167 CO 0.43 0.22 -0.83 0.99 0.00 0.00 0.00 179.25 180.06 1t60 s THR 168 N -4.88 1.06 -2.00 0.00 2.01 -1.26 -4.04 115.64 106.53 1t60 s THR 168 Ca -0.05 -2.84 0.26 0.00 0.31 0.00 0.00 61.69 59.37 1t60 s THR 168 Cb 0.16 -1.73 0.74 0.00 0.01 0.00 0.00 72.50 71.68 1t60 s THR 168 CO 0.71 -1.09 1.92 -0.81 -0.69 0.00 0.00 174.62 174.66 1t60 n PRO 169 N 2.97 0.83 -4.14 4.92 -0.04 -1.24 -4.87 135.00 133.43 1t60 n PRO 169 Ca 0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 1t60 n PRO 169 Cb 0.41 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1t60 n PRO 169 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 170 N -2.00 0.78 0.09 0.54 -0.71 -1.26 -0.71 117.98 114.71 1t60 s PHE 170 Ca 0.39 -1.12 0.07 0.00 -1.04 0.00 0.00 56.93 55.23 1t60 s PHE 170 Cb 0.18 -0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 1t60 s PHE 170 CO 0.30 -0.40 -0.17 -1.50 -1.34 0.00 0.00 175.22 172.11 1t60 s ILE 171 N -3.92 1.43 -0.20 -4.49 2.07 0.14 -4.74 121.20 111.48 1t60 s ILE 171 Ca 0.17 -1.47 -0.09 0.00 -1.41 0.00 0.00 60.65 57.85 1t60 s ILE 171 Cb 0.07 -1.36 -0.04 0.00 0.13 0.00 0.00 42.46 41.26 1t60 s ILE 171 CO -0.03 -0.17 0.10 -0.70 -1.91 0.00 0.00 174.94 172.23 1t60 s GLU 172 N -1.93 4.04 -0.17 3.50 2.12 -1.04 -1.72 118.70 123.50 1t60 s GLU 172 Ca 0.03 -0.30 -0.02 0.00 0.36 0.00 0.00 54.97 55.04 1t60 s GLU 172 Cb -0.09 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1t60 s GLU 172 CO 0.03 0.21 -0.10 0.00 -0.54 0.00 0.00 175.26 174.87 1t60 s ASN 174 N 0.88 6.73 0.00 0.00 0.01 0.10 -1.84 114.94 120.82 1t60 s ASN 174 Ca -0.03 -2.24 0.00 0.00 -0.71 0.00 0.00 52.86 49.88 1t60 s ASN 174 Cb -0.15 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1t60 s ASN 174 CO 0.00 -1.02 0.00 0.61 -1.51 0.00 0.00 177.10 175.18 1t60 n GLY 175 N 5.26 0.00 0.25 0.66 0.00 -1.05 -1.13 105.19 109.17 1t60 n GLY 175 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.41 1t60 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 h ALA 176 N 0.00 1.39 0.00 4.61 0.00 -1.85 -2.74 119.26 120.67 1t60 h ALA 176 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1t60 h ALA 176 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1t60 h ALA 176 CO 0.00 0.19 -0.39 -0.09 0.00 0.00 0.00 179.25 178.95 1t60 h ARG 177 N 0.00 0.00 -0.14 0.00 2.43 -1.51 -3.47 114.38 111.69 1t60 h ARG 177 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1t60 h ARG 177 Cb 0.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1t60 h ARG 177 CO 0.02 0.39 -0.04 0.41 -1.51 0.00 0.00 179.97 179.24 1t60 n GLY 178 N 0.26 0.47 3.38 2.80 0.00 -1.03 -4.98 105.19 106.08 1t60 n GLY 178 Ca -0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 1t60 n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 179 N -2.08 1.89 0.08 2.61 -4.23 -1.26 -2.77 115.64 109.89 1t60 s THR 179 Ca 0.00 -2.25 0.02 0.00 -1.18 0.00 0.00 61.69 58.29 1t60 s THR 179 Cb 0.00 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 1t60 s THR 179 CO 0.00 -0.52 -0.08 0.00 -0.54 0.00 0.00 174.62 173.48 1t60 s HIS 181 N -2.62 -0.10 -0.25 0.00 5.04 0.36 -1.23 115.29 116.49 1t60 s HIS 181 Ca 0.03 -0.24 -0.04 0.00 -1.54 0.00 0.00 55.06 53.27 1t60 s HIS 181 Cb -0.02 0.66 0.01 0.00 0.04 0.00 0.00 32.58 33.27 1t60 s HIS 181 CO -0.02 -0.89 -0.01 0.71 -2.34 0.00 0.00 174.74 172.20 1t60 s TYR 182 N -3.14 3.06 0.10 3.88 1.51 -1.26 -2.48 117.35 119.01 1t60 s TYR 182 Ca 0.14 -1.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.10 1t60 s TYR 182 Cb -0.02 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1t60 s TYR 182 CO 0.03 -0.61 0.13 0.71 -1.11 0.00 0.00 175.55 174.71 1t60 s TYR 183 N 1.44 3.27 -0.62 2.71 1.51 -1.26 -5.02 117.35 119.39 1t60 s TYR 183 Ca 0.03 0.10 0.13 0.00 -1.01 0.00 0.00 57.07 56.32 1t60 s TYR 183 Cb -0.16 -1.63 0.65 0.00 -0.11 0.00 0.00 41.96 40.72 1t60 s TYR 183 CO -0.02 0.53 1.40 0.00 -1.11 0.00 0.00 175.55 176.36 1t60 n ALA 184 N 0.18 1.18 0.50 3.71 0.00 -1.26 -2.07 120.51 122.74 1t60 n ALA 184 Ca -0.08 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1t60 n ALA 184 Cb 0.52 -1.20 0.26 0.00 0.00 0.00 0.00 19.45 19.03 1t60 n ALA 184 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1t60 n ASN 185 N -1.89 2.73 -4.68 0.00 6.94 -1.26 -4.88 115.26 112.22 1t60 n ASN 185 Ca 0.00 -1.94 -0.42 0.00 -0.02 0.00 0.00 54.58 52.20 1t60 n ASN 185 Cb 0.06 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.17 1t60 n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1t60 s LYS 186 N -1.43 4.32 -0.01 -3.83 1.02 -0.88 -4.27 119.74 114.65 1t60 s LYS 186 Ca 0.36 1.74 0.05 0.00 0.02 0.00 0.00 55.97 58.13 1t60 s LYS 186 Cb 0.19 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1t60 s LYS 186 CO 0.26 -0.52 -0.16 0.71 -0.92 0.00 0.00 175.35 174.72 1t60 s TYR 187 N 2.50 1.45 0.03 3.18 4.12 -0.29 -5.00 117.35 123.33 1t60 s TYR 187 Ca 0.57 -0.28 0.06 0.00 0.02 0.00 0.00 57.07 57.45 1t60 s TYR 187 Cb -0.26 -0.93 -0.03 0.00 -1.52 0.00 0.00 41.96 39.22 1t60 s TYR 187 CO 0.22 -0.02 -0.17 -1.54 0.02 0.00 0.00 175.55 174.06 1t60 s SER 188 N -0.40 3.89 -0.05 2.29 1.04 -1.26 -2.25 113.70 116.95 1t60 s SER 188 Ca 0.06 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.18 1t60 s SER 188 Cb -0.06 -0.68 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 1t60 s SER 188 CO -0.01 0.27 -0.23 -0.36 0.98 0.00 0.00 173.24 173.90 1t60 s PHE 189 N -0.90 2.21 0.08 5.02 0.40 0.20 -4.97 117.98 120.02 1t60 s PHE 189 Ca 0.14 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1t60 s PHE 189 Cb -0.11 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 1t60 s PHE 189 CO 0.05 -0.20 -0.12 -1.58 0.70 0.00 0.00 175.22 174.06 1t60 s TRP 190 N -0.11 1.14 0.42 0.36 0.52 -1.26 -1.24 118.94 118.77 1t60 s TRP 190 Ca -0.04 -0.52 -0.25 0.00 0.02 0.00 0.00 56.10 55.31 1t60 s TRP 190 Cb -0.13 -0.63 -0.08 0.00 -1.15 0.00 0.00 33.47 31.48 1t60 s TRP 190 CO 0.03 0.04 1.25 -0.51 0.02 0.00 0.00 176.95 177.78 1t60 s LEU 191 N -1.96 4.16 0.48 2.99 1.43 -0.82 -4.89 118.68 120.06 1t60 s LEU 191 Ca 0.00 2.53 -0.03 0.00 -1.03 0.00 0.00 54.13 55.60 1t60 s LEU 191 Cb -0.08 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 1t60 s LEU 191 CO 0.02 -0.86 0.74 0.42 0.23 0.00 0.00 176.35 176.90 1t60 s THR 192 N -1.34 4.39 -0.24 5.49 -4.23 -1.26 -0.88 115.64 117.57 1t60 s THR 192 Ca 0.59 -0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.75 1t60 s THR 192 Cb -0.35 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 69.81 1t60 s THR 192 CO 0.44 -0.57 0.61 0.42 -0.54 0.00 0.00 174.62 174.98 1t60 s THR 193 N -2.68 5.01 -0.18 3.99 -4.23 -1.04 -4.16 115.64 112.36 1t60 s THR 193 Ca 0.48 1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.98 1t60 s THR 193 Cb -0.10 -3.92 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 1t60 s THR 193 CO 0.42 0.06 0.19 -0.63 -0.54 0.00 0.00 174.62 174.12 1t60 s ILE 194 N 2.29 5.37 0.19 2.99 1.01 0.12 -4.88 121.20 128.29 1t60 s ILE 194 Ca 0.26 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 61.16 1t60 s ILE 194 Cb -0.16 -3.53 0.07 0.00 0.01 0.00 0.00 42.46 38.86 1t60 s ILE 194 CO 0.09 0.43 1.65 -0.65 0.00 0.00 0.00 174.94 176.46 1t60 h PRO 195 N 6.58 1.06 -7.25 2.79 0.11 -1.96 -3.44 132.00 129.89 1t60 h PRO 195 Ca -0.42 -0.33 -0.49 0.00 0.11 0.00 0.00 66.00 64.87 1t60 h PRO 195 Cb 1.16 -0.10 0.19 0.00 0.11 0.00 0.00 31.00 32.36 1t60 h PRO 195 CO 0.75 1.03 0.18 -1.21 -0.21 0.00 0.00 178.00 178.54 1t60 s GLU 196 N -5.02 0.62 0.04 1.05 8.01 -1.26 -4.96 118.70 117.17 1t60 s GLU 196 Ca -0.12 1.26 -0.17 0.00 0.01 0.00 0.00 54.97 55.95 1t60 s GLU 196 Cb 0.14 -1.70 -0.20 0.00 -4.31 0.00 0.00 34.13 28.05 1t60 s GLU 196 CO 0.86 -2.81 1.19 0.37 0.01 0.00 0.00 175.26 174.88 1t60 h GLN 197 N -1.98 0.54 0.00 1.61 5.75 -2.00 -3.45 115.11 115.57 1t60 h GLN 197 Ca -0.49 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 57.52 1t60 h GLN 197 Cb 1.28 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.96 1t60 h GLN 197 CO 0.46 1.13 0.00 -1.13 -2.65 0.00 0.00 178.83 176.64 1t60 n SER 198 N -4.15 0.00 -3.86 -0.69 3.41 -1.26 -5.10 113.62 101.98 1t60 n SER 198 Ca -0.09 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.25 1t60 n SER 198 Cb 0.68 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.46 1t60 n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1t60 s PHE 199 N -0.16 1.38 -0.39 7.33 5.36 -1.26 -5.09 117.98 125.14 1t60 s PHE 199 Ca 0.00 -0.79 -0.02 0.00 -0.96 0.00 0.00 56.93 55.16 1t60 s PHE 199 Cb 0.00 -1.17 0.10 0.00 -0.34 0.00 0.00 43.02 41.62 1t60 s PHE 199 CO 0.00 -0.53 0.17 -1.14 -1.46 0.00 0.00 175.22 172.26 1t60 s GLN 200 N 1.74 1.98 0.11 10.12 0.74 -1.26 -4.88 119.66 128.20 1t60 s GLN 200 Ca 0.03 -1.78 -0.01 0.00 0.05 0.00 0.00 55.36 53.64 1t60 s GLN 200 Cb -0.14 -3.51 -0.18 0.00 1.10 0.00 0.00 33.01 30.28 1t60 s GLN 200 CO -0.07 -1.02 1.24 0.78 -0.55 0.00 0.00 175.29 175.66 1t60 h GLY 201 N 8.00 0.28 -7.43 2.59 0.00 -2.05 -3.43 103.07 101.02 1t60 h GLY 201 Ca -0.13 -0.61 -0.57 0.00 0.00 0.00 0.00 47.33 46.02 1t60 h GLY 201 CO 0.67 0.54 -0.77 -1.59 0.00 0.00 0.00 176.54 175.38 1t60 s THR 202 N -2.89 1.09 0.26 4.70 2.01 -1.26 -5.12 115.64 114.43 1t60 s THR 202 Ca -0.03 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 1t60 s THR 202 Cb 0.08 -1.54 -0.09 0.00 0.01 0.00 0.00 72.50 70.96 1t60 s THR 202 CO 0.86 -0.26 1.15 -2.84 -0.69 0.00 0.00 174.62 172.85 1t60 s PRO 203 N 1.58 4.56 -0.57 4.92 0.02 -1.26 -4.99 135.00 139.26 1t60 s PRO 203 Ca -0.01 1.88 -0.18 0.00 0.02 0.00 0.00 61.00 62.71 1t60 s PRO 203 Cb -0.18 -3.19 0.11 0.00 0.02 0.00 0.00 34.50 31.26 1t60 s PRO 203 CO -0.10 0.08 0.63 0.45 -0.33 0.00 0.00 177.00 177.73 1t60 s SER 204 N -0.55 6.19 0.69 2.53 0.15 -1.26 -5.04 113.70 116.40 1t60 s SER 204 Ca 0.47 -1.50 -0.17 0.00 0.70 0.00 0.00 55.95 55.46 1t60 s SER 204 Cb -0.33 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 61.65 1t60 s SER 204 CO 0.41 -1.01 0.45 0.00 1.20 0.00 0.00 173.24 174.29 1t60 n ALA 205 N 5.98 -1.65 -3.55 5.45 0.00 -1.26 -5.02 120.51 120.46 1t60 n ALA 205 Ca -0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1t60 n ALA 205 Cb 0.42 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 1t60 n ALA 205 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t60 s ASP 206 N -1.37 -0.35 -0.26 0.00 3.68 -1.26 -5.13 116.67 111.98 1t60 s ASP 206 Ca 0.65 0.21 0.02 0.00 2.13 0.00 0.00 52.55 55.56 1t60 s ASP 206 Cb -0.37 0.32 0.05 0.00 -1.45 0.00 0.00 42.92 41.47 1t60 s ASP 206 CO 0.58 -0.45 -0.10 -0.89 0.13 0.00 0.00 175.17 174.45 1t60 s THR 207 N -2.02 2.36 -0.34 1.71 2.01 -1.26 -5.09 115.64 113.01 1t60 s THR 207 Ca 0.02 -1.46 -0.18 0.00 0.31 0.00 0.00 61.69 60.38 1t60 s THR 207 Cb -0.01 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.18 1t60 s THR 207 CO -0.03 0.05 0.51 -0.76 -0.69 0.00 0.00 174.62 173.70 1t60 s LEU 208 N 1.17 4.31 0.66 4.42 1.43 -1.26 -5.06 118.68 124.34 1t60 s LEU 208 Ca -0.06 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1t60 s LEU 208 Cb -0.19 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1t60 s LEU 208 CO -0.05 -0.46 1.05 -0.75 0.23 0.00 0.00 176.35 176.38 1t60 s LYS 209 N 2.38 3.12 -0.18 1.70 2.36 -1.26 -4.92 119.74 122.94 1t60 s LYS 209 Ca 0.19 1.00 -0.42 0.00 -2.55 0.00 0.00 55.97 54.19 1t60 s LYS 209 Cb -0.15 -2.01 -0.20 0.00 -1.05 0.00 0.00 37.83 34.42 1t60 s LYS 209 CO 0.13 -0.96 1.30 0.00 1.55 0.00 0.00 175.35 177.37 1t60 n ALA 210 N -2.76 -2.58 0.00 3.13 0.00 -1.26 -1.81 120.51 115.23 1t60 n ALA 210 Ca 0.08 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1t60 n ALA 210 Cb 0.53 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1t60 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 211 N 2.54 2.23 3.14 0.00 0.00 -1.26 -4.86 105.19 106.98 1t60 n GLY 211 Ca 0.24 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1t60 n GLY 211 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1t60 n LEU 212 N 0.00 3.46 0.03 0.99 -0.00 -0.75 -3.86 117.00 116.87 1t60 n LEU 212 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 56.01 53.43 1t60 n LEU 212 Cb 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 1t60 n LEU 212 CO 0.00 -0.63 -0.04 -0.38 -0.00 0.00 0.00 177.39 176.34 1t60 n ILE 213 N 6.04 0.03 -0.42 1.96 5.41 -1.26 -4.14 119.36 126.99 1t60 n ILE 213 Ca 0.47 0.01 0.37 0.00 1.00 0.00 0.00 62.75 64.61 1t60 n ILE 213 Cb 0.38 -0.62 0.71 0.00 -0.71 0.00 0.00 39.64 39.40 1t60 n ILE 213 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1t60 h ARG 214 N 0.00 0.08 0.00 0.38 3.08 -1.96 0.70 114.38 116.67 1t60 h ARG 214 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1t60 h ARG 214 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1t60 h ARG 214 CO 0.00 0.05 0.00 0.25 -1.07 0.00 0.00 179.97 179.20 1t60 n THR 215 N -4.30 0.00 0.09 2.04 -2.24 -1.26 -2.26 114.28 106.35 1t60 n THR 215 Ca 0.31 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.13 1t60 n THR 215 Cb 1.37 -0.57 0.07 0.00 -2.10 0.00 0.00 70.33 69.10 1t60 n THR 215 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t60 n HIS 216 N -0.99 0.18 -4.00 4.78 8.25 0.24 -4.79 115.22 118.89 1t60 n HIS 216 Ca 0.20 -0.27 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 1t60 n HIS 216 Cb 0.09 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 1t60 n HIS 216 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1t60 s ILE 217 N -0.85 4.40 0.44 1.59 -1.09 -0.96 -2.48 121.20 122.25 1t60 s ILE 217 Ca 0.13 -0.16 -0.24 0.00 -2.23 0.00 0.00 60.65 58.15 1t60 s ILE 217 Cb 0.08 -3.00 -0.09 0.00 -1.58 0.00 0.00 42.46 37.87 1t60 s ILE 217 CO 0.11 0.42 1.17 -0.24 -1.23 0.00 0.00 174.94 175.17 1t60 n SER 218 N 4.08 2.03 -4.94 3.58 2.88 -0.06 -4.65 113.62 116.55 1t60 n SER 218 Ca -0.17 1.06 -0.26 0.00 -1.33 0.00 0.00 58.87 58.17 1t60 n SER 218 Cb 0.52 -1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 62.50 1t60 n SER 218 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t60 s ARG 219 N -2.23 3.42 0.20 -1.46 1.81 -1.20 -1.55 118.95 117.94 1t60 s ARG 219 Ca 0.63 -0.63 -0.07 0.00 -1.72 0.00 0.00 55.73 53.94 1t60 s ARG 219 Cb -0.51 -2.94 -0.02 0.00 -0.45 0.00 0.00 34.95 31.03 1t60 s ARG 219 CO 0.56 0.51 0.29 0.00 -0.68 0.00 0.00 175.30 175.98 1t60 s GLN 221 N -4.05 0.27 -0.19 0.00 0.74 -0.86 -1.44 119.66 114.13 1t60 s GLN 221 Ca 0.26 0.25 -0.11 0.00 0.05 0.00 0.00 55.36 55.81 1t60 s GLN 221 Cb 0.03 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.22 1t60 s GLN 221 CO 0.07 -0.04 0.19 0.08 -0.55 0.00 0.00 175.29 175.04 1t60 s VAL 222 N 0.02 5.37 0.12 1.34 1.01 0.48 -1.75 120.40 126.99 1t60 s VAL 222 Ca -0.01 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1t60 s VAL 222 Cb -0.02 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1t60 s VAL 222 CO 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 175.10 175.34 1t60 s MET 224 N -2.21 0.93 0.26 0.00 -2.45 0.10 -0.86 119.30 115.07 1t60 s MET 224 Ca 0.08 -0.44 -0.31 0.00 -1.25 0.00 0.00 55.69 53.78 1t60 s MET 224 Cb -0.08 -0.90 -0.13 0.00 1.25 0.00 0.00 34.83 34.97 1t60 s MET 224 CO 0.04 0.24 1.48 1.17 1.05 0.00 0.00 175.02 179.01 1t60 n LYS 225 N 2.73 2.29 -0.37 4.11 3.00 -1.17 -0.42 118.16 128.33 1t60 n LYS 225 Ca -0.14 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 58.99 1t60 n LYS 225 Cb 0.56 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 33.07 1t60 n LYS 225 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49