#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igi s VAL 2 N 0.00 2.90 0.13 2.53 1.01 -1.26 -5.05 120.40 120.67 1igi s VAL 2 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1igi s VAL 2 Cb 0.00 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 1igi s VAL 2 CO 0.00 0.49 1.27 -0.69 0.00 0.00 0.00 175.10 176.17 1igi s VAL 3 N 1.00 3.58 -0.35 2.92 1.01 -1.26 -4.79 120.40 122.51 1igi s VAL 3 Ca -0.01 1.20 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 1igi s VAL 3 Cb -0.15 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.50 1igi s VAL 3 CO -0.02 0.13 0.12 -0.04 0.00 0.00 0.00 175.10 175.30 1igi s MET 4 N 0.55 2.65 -0.12 2.72 -1.94 -1.26 -1.78 119.30 120.12 1igi s MET 4 Ca 0.58 -1.17 -0.10 0.00 -1.71 0.00 0.00 55.69 53.30 1igi s MET 4 Cb -0.33 -3.51 -0.05 0.00 2.01 0.00 0.00 34.83 32.95 1igi s MET 4 CO 0.33 -0.68 0.20 0.99 -0.01 0.00 0.00 175.02 175.86 1igi s THR 5 N 1.43 5.39 -0.02 2.05 2.01 -0.16 -4.11 115.64 122.23 1igi s THR 5 Ca -0.01 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1igi s THR 5 Cb -0.19 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 68.83 1igi s THR 5 CO 0.03 0.56 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.92 1igi s GLN 6 N -0.67 0.41 0.00 4.92 0.74 -1.26 -0.84 119.66 122.96 1igi s GLN 6 Ca 0.16 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.49 1igi s GLN 6 Cb -0.13 -0.45 -0.00 0.00 1.10 0.00 0.00 33.01 33.53 1igi s GLN 6 CO 0.05 0.00 -0.00 0.95 -0.55 0.00 0.00 175.29 175.73 1igi s THR 7 N 0.38 0.02 1.05 -0.34 -4.23 -0.87 -4.49 115.64 107.15 1igi s THR 7 Ca -0.04 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.27 1igi s THR 7 Cb -0.07 -0.03 0.22 0.00 1.34 0.00 0.00 72.50 73.95 1igi s THR 7 CO -0.01 -0.03 1.09 -2.84 -0.54 0.00 0.00 174.62 172.30 1igi s PRO 8 N -0.10 -0.01 0.06 3.99 0.02 -1.26 -1.65 135.00 136.05 1igi s PRO 8 Ca -0.01 0.39 0.11 0.00 0.02 0.00 0.00 61.00 61.51 1igi s PRO 8 Cb -0.01 -1.70 -0.18 0.00 0.02 0.00 0.00 34.50 32.63 1igi s PRO 8 CO -0.00 -3.00 0.97 -0.07 -0.33 0.00 0.00 177.00 174.57 1igi h LEU 9 N -2.08 0.00 -7.44 -5.54 3.38 -1.85 -3.41 115.31 98.37 1igi h LEU 9 Ca -0.53 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.25 1igi h LEU 9 Cb 1.33 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.80 1igi h LEU 9 CO 0.53 0.90 -0.47 -0.55 0.09 0.00 0.00 178.44 178.94 1igi s SER 10 N -6.29 -0.24 -0.28 -0.43 0.15 -1.26 -2.89 113.70 102.45 1igi s SER 10 Ca -0.02 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1igi s SER 10 Cb 0.09 0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.92 1igi s SER 10 CO 0.81 -0.11 0.03 -0.22 1.20 0.00 0.00 173.24 174.95 1igi s LEU 11 N 0.57 2.75 -0.11 3.45 2.96 -0.14 -4.95 118.68 123.21 1igi s LEU 11 Ca -0.04 -1.49 -0.28 0.00 -0.22 0.00 0.00 54.13 52.10 1igi s LEU 11 Cb -0.05 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 1igi s LEU 11 CO -0.03 -0.33 0.94 -2.16 -1.32 0.00 0.00 176.35 173.44 1igi s PRO 12 N 1.42 4.40 0.11 0.98 0.04 -1.26 -1.74 135.00 138.95 1igi s PRO 12 Ca 0.03 1.26 0.05 0.00 0.04 0.00 0.00 61.00 62.38 1igi s PRO 12 Cb -0.18 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 1igi s PRO 12 CO -0.13 -0.27 -0.13 0.14 0.04 0.00 0.00 177.00 176.64 1igi s VAL 13 N 1.89 1.20 0.23 -0.36 -7.23 -0.37 -4.77 120.40 111.00 1igi s VAL 13 Ca 0.45 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.88 1igi s VAL 13 Cb -0.18 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 1igi s VAL 13 CO 0.17 -0.43 0.55 -0.44 -0.31 0.00 0.00 175.10 174.64 1igi s SER 14 N -2.37 6.63 0.33 4.85 0.01 -1.26 -1.84 113.70 120.04 1igi s SER 14 Ca 0.07 0.92 -0.29 0.00 1.31 0.00 0.00 55.95 57.96 1igi s SER 14 Cb -0.05 -2.23 -0.11 0.00 0.21 0.00 0.00 66.02 63.84 1igi s SER 14 CO 0.02 -0.08 1.51 -0.76 0.41 0.00 0.00 173.24 174.34 1igi s LEU 15 N -2.83 4.34 0.00 2.44 1.43 -1.26 -1.77 118.68 121.03 1igi s LEU 15 Ca 0.47 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.53 1igi s LEU 15 Cb -0.11 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1igi s LEU 15 CO 0.21 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.55 1igi n GLY 16 N 1.29 0.86 3.90 -3.19 0.00 -0.46 -4.94 105.19 102.65 1igi n GLY 16 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1igi n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1igi s ASP 17 N -1.85 5.79 0.47 1.61 1.01 -0.73 -4.31 116.67 118.67 1igi s ASP 17 Ca 0.00 0.94 -0.21 0.00 0.71 0.00 0.00 52.55 54.00 1igi s ASP 17 Cb 0.00 -1.97 -0.09 0.00 1.01 0.00 0.00 42.92 41.87 1igi s ASP 17 CO 0.00 -0.99 1.03 -1.58 0.21 0.00 0.00 175.17 173.84 1igi s GLN 18 N -5.04 3.88 0.02 8.23 -0.44 -1.26 0.30 119.66 125.36 1igi s GLN 18 Ca 0.54 1.34 -0.04 0.00 -2.50 0.00 0.00 55.36 54.70 1igi s GLN 18 Cb -0.11 -2.14 -0.01 0.00 -1.64 0.00 0.00 33.01 29.11 1igi s GLN 18 CO 0.48 -0.36 0.05 0.00 0.50 0.00 0.00 175.29 175.96 1igi s ALA 19 N -1.98 -0.02 -0.06 1.58 0.00 -0.55 -4.90 121.76 115.84 1igi s ALA 19 Ca 0.66 -0.51 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 1igi s ALA 19 Cb -0.16 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1igi s ALA 19 CO 0.19 -0.23 0.15 -1.12 0.00 0.00 0.00 175.76 174.75 1igi s SER 20 N -1.75 -0.16 -0.06 0.00 0.01 -1.26 -1.67 113.70 108.82 1igi s SER 20 Ca -0.11 0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.49 1igi s SER 20 Cb -0.05 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1igi s SER 20 CO -0.02 -0.05 -0.16 -0.63 0.41 0.00 0.00 173.24 172.79 1igi s ILE 21 N 0.08 1.37 0.04 1.44 1.01 -0.47 -4.76 121.20 119.92 1igi s ILE 21 Ca -0.00 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1igi s ILE 21 Cb -0.01 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1igi s ILE 21 CO 0.00 0.40 0.10 -0.44 0.00 0.00 0.00 174.94 175.01 1igi s SER 22 N 0.31 5.74 -0.16 3.58 0.01 -0.66 -1.11 113.70 121.41 1igi s SER 22 Ca -0.10 0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.16 1igi s SER 22 Cb -0.14 -1.63 0.05 0.00 0.21 0.00 0.00 66.02 64.52 1igi s SER 22 CO 0.04 0.21 0.40 0.00 0.41 0.00 0.00 173.24 174.30 1igi s ARG 24 N 1.08 0.96 0.47 0.00 0.52 -0.02 -0.52 118.95 121.43 1igi s ARG 24 Ca -0.07 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1igi s ARG 24 Cb -0.07 -0.92 0.00 0.00 0.52 0.00 0.00 34.95 34.48 1igi s ARG 24 CO -0.09 0.23 0.69 -1.54 0.02 0.00 0.00 175.30 174.61 1igi s SER 25 N -0.21 5.76 0.00 0.23 1.04 0.18 -0.98 113.70 119.72 1igi s SER 25 Ca 0.03 0.27 0.20 0.00 0.48 0.00 0.00 55.95 56.93 1igi s SER 25 Cb -0.05 -1.46 0.73 0.00 0.10 0.00 0.00 66.02 65.34 1igi s SER 25 CO -0.00 -0.77 1.53 -1.54 0.98 0.00 0.00 173.24 173.44 1igi n SER 26 N -2.13 1.60 -3.86 7.02 3.41 -0.73 -4.89 113.62 114.04 1igi n SER 26 Ca 0.02 -1.72 -0.09 0.00 -0.26 0.00 0.00 58.87 56.82 1igi n SER 26 Cb 0.58 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1igi n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1igi s GLN 27 N -1.78 1.38 0.38 4.33 -0.21 -1.26 -4.95 119.66 117.55 1igi s GLN 27 Ca 0.31 -1.04 -0.24 0.00 0.02 0.00 0.00 55.36 54.42 1igi s GLN 27 Cb 0.17 0.48 -0.10 0.00 1.00 0.00 0.00 33.01 34.56 1igi s GLN 27 CO 0.25 -0.57 0.98 0.45 -2.12 0.00 0.00 175.29 174.28 1igi s SER 27 N -2.93 7.03 0.00 5.90 0.15 -1.26 -4.57 113.70 118.01 1igi s SER 27 Ca 0.14 1.85 0.23 0.00 0.70 0.00 0.00 55.95 58.87 1igi s SER 27 Cb -0.00 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.98 1igi s SER 27 CO 0.01 -0.29 1.26 0.18 1.20 0.00 0.00 173.24 175.60 1igi n LEU 27 N -0.01 3.03 -4.59 3.45 4.77 -0.92 -4.87 117.00 117.86 1igi n LEU 27 Ca 0.04 -1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 1igi n LEU 27 Cb 0.51 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1igi n LEU 27 CO 0.42 0.56 1.47 -0.69 -1.33 0.00 0.00 177.39 177.82 1igi s VAL 27 N -1.77 3.56 0.80 4.08 1.01 -1.26 -3.22 120.40 123.60 1igi s VAL 27 Ca 0.29 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 1igi s VAL 27 Cb 0.20 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.82 1igi s VAL 27 CO 0.29 -0.57 1.16 -2.28 0.00 0.00 0.00 175.10 173.69 1igi s HIS 27 N 6.83 2.98 0.24 5.22 2.46 0.89 -4.95 115.29 128.96 1igi s HIS 27 Ca 0.73 0.82 0.26 0.00 0.47 0.00 0.00 55.06 57.34 1igi s HIS 27 Cb -0.19 -3.41 1.17 0.00 -0.13 0.00 0.00 32.58 30.02 1igi s HIS 27 CO 0.31 -1.71 1.93 0.77 -2.47 0.00 0.00 174.74 173.57 1igi h SER 27 N -1.02 0.00 -0.31 9.88 0.02 -1.94 -2.14 113.55 118.04 1igi h SER 27 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1igi h SER 27 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1igi h SER 27 CO 0.65 0.17 0.00 -0.46 -1.14 0.00 0.00 176.83 176.05 1igi n ASN 28 N -3.45 2.18 0.00 3.07 6.94 -1.26 -4.85 115.26 117.89 1igi n ASN 28 Ca -0.01 -2.12 0.00 0.00 -0.02 0.00 0.00 54.58 52.43 1igi n ASN 28 Cb 0.35 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 1igi n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1igi n GLY 29 N 0.81 0.73 3.72 4.83 0.00 -0.80 -5.08 105.19 109.39 1igi n GLY 29 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1igi n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1igi s ASN 30 N -2.75 5.22 -0.39 1.61 0.01 -1.25 -4.83 114.94 112.56 1igi s ASN 30 Ca 0.00 -0.11 -0.10 0.00 -0.71 0.00 0.00 52.86 51.94 1igi s ASN 30 Cb 0.00 -1.31 0.05 0.00 0.41 0.00 0.00 41.25 40.40 1igi s ASN 30 CO 0.00 0.18 0.22 -0.89 -1.51 0.00 0.00 177.10 175.10 1igi s THR 31 N -1.34 4.46 -1.13 1.60 2.01 -1.26 -0.08 115.64 119.90 1igi s THR 31 Ca 0.27 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1igi s THR 31 Cb -0.12 -3.57 0.20 0.00 0.01 0.00 0.00 72.50 69.02 1igi s THR 31 CO 0.20 -0.33 1.28 -0.31 -0.69 0.00 0.00 174.62 174.76 1igi s TYR 32 N 1.51 3.71 -0.16 4.92 2.02 -1.20 -4.09 117.35 124.06 1igi s TYR 32 Ca 0.02 -2.22 0.00 0.00 -0.37 0.00 0.00 57.07 54.50 1igi s TYR 32 Cb -0.21 -4.15 0.02 0.00 -0.40 0.00 0.00 41.96 37.23 1igi s TYR 32 CO 0.05 -1.25 -0.15 -1.17 -1.57 0.00 0.00 175.55 171.46 1igi s LEU 33 N 0.78 1.79 0.32 -1.29 0.20 -1.26 -1.66 118.68 117.56 1igi s LEU 33 Ca 0.37 -0.54 0.08 0.00 0.69 0.00 0.00 54.13 54.73 1igi s LEU 33 Cb -0.05 -1.23 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1igi s LEU 33 CO -0.04 -0.06 0.14 0.20 -0.29 0.00 0.00 176.35 176.31 1igi s ASN 34 N 1.45 4.81 -0.01 3.68 0.01 -1.03 -0.68 114.94 123.17 1igi s ASN 34 Ca 0.05 -0.67 0.02 0.00 -0.71 0.00 0.00 52.86 51.55 1igi s ASN 34 Cb -0.13 -0.84 -0.00 0.00 0.41 0.00 0.00 41.25 40.69 1igi s ASN 34 CO -0.11 -0.23 -0.08 0.26 -1.51 0.00 0.00 177.10 175.43 1igi s TRP 35 N -2.37 0.76 0.16 2.20 0.52 0.45 -2.56 118.94 118.10 1igi s TRP 35 Ca 0.37 -0.15 0.05 0.00 0.02 0.00 0.00 56.10 56.39 1igi s TRP 35 Cb -0.04 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 1igi s TRP 35 CO 0.23 -0.03 -0.12 0.71 0.02 0.00 0.00 176.95 177.76 1igi s TYR 36 N -0.11 1.39 -0.09 -1.98 1.51 -0.63 -1.85 117.35 115.60 1igi s TYR 36 Ca 0.02 -0.69 0.02 0.00 -1.01 0.00 0.00 57.07 55.41 1igi s TYR 36 Cb -0.04 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1igi s TYR 36 CO -0.00 0.16 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.30 1igi s LEU 37 N -3.12 1.58 -0.34 -1.29 2.96 -0.06 -2.02 118.68 116.40 1igi s LEU 37 Ca 0.17 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1igi s LEU 37 Cb 0.01 -0.92 0.07 0.00 0.50 0.00 0.00 46.19 45.85 1igi s LEU 37 CO 0.02 -0.00 0.07 -1.58 -1.32 0.00 0.00 176.35 173.55 1igi s GLN 38 N 0.97 2.31 1.06 1.98 0.74 -0.21 -1.47 119.66 125.03 1igi s GLN 38 Ca -0.08 -1.43 -0.16 0.00 0.05 0.00 0.00 55.36 53.74 1igi s GLN 38 Cb -0.15 -3.33 0.22 0.00 1.10 0.00 0.00 33.01 30.85 1igi s GLN 38 CO -0.00 -0.76 1.15 0.15 -0.55 0.00 0.00 175.29 175.27 1igi s LYS 39 N 1.23 -0.07 -0.53 1.67 1.02 -1.26 -1.64 119.74 120.16 1igi s LYS 39 Ca -0.00 0.06 -0.36 0.00 0.02 0.00 0.00 55.97 55.69 1igi s LYS 39 Cb -0.21 -1.72 -0.15 0.00 -0.52 0.00 0.00 37.83 35.24 1igi s LYS 39 CO -0.02 -2.97 2.30 0.00 -0.92 0.00 0.00 175.35 173.74 1igi n ALA 40 N -4.26 0.68 -1.98 5.17 0.00 -1.26 -1.79 120.51 117.07 1igi n ALA 40 Ca 0.10 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 1igi n ALA 40 Cb 0.59 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 1igi n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1igi n GLY 41 N 6.72 0.65 2.60 0.00 0.00 -1.26 -4.96 105.19 108.94 1igi n GLY 41 Ca 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 1igi n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1igi n GLN 42 N -2.62 0.86 -2.19 1.61 6.02 -0.74 -5.12 117.38 115.20 1igi n GLN 42 Ca -0.21 -2.24 -0.30 0.00 -0.01 0.00 0.00 57.00 54.24 1igi n GLN 42 Cb 0.65 0.08 -0.00 0.00 1.02 0.00 0.00 30.24 31.98 1igi n GLN 42 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1igi s SER 43 N -3.29 6.33 0.69 1.08 0.01 -1.26 -4.76 113.70 112.50 1igi s SER 43 Ca 0.29 1.32 -0.17 0.00 1.31 0.00 0.00 55.95 58.71 1igi s SER 43 Cb -0.02 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1igi s SER 43 CO 0.19 -0.73 0.84 -2.65 0.41 0.00 0.00 173.24 171.30 1igi n PRO 44 N -2.34 0.54 -3.78 12.44 -0.02 -1.26 -4.55 135.00 136.03 1igi n PRO 44 Ca 0.05 0.23 -0.18 0.00 -2.02 0.00 0.00 63.50 61.58 1igi n PRO 44 Cb 0.54 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 1igi n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1igi s LYS 45 N -3.02 0.09 0.28 -0.52 1.02 -0.54 -4.96 119.74 112.09 1igi s LYS 45 Ca 0.72 0.21 -0.29 0.00 0.02 0.00 0.00 55.97 56.63 1igi s LYS 45 Cb -0.37 -0.45 -0.10 0.00 -0.52 0.00 0.00 37.83 36.40 1igi s LYS 45 CO 0.51 -0.22 1.18 -1.17 -0.92 0.00 0.00 175.35 174.73 1igi s LEU 46 N 1.48 4.50 0.05 3.17 2.96 -1.26 -0.88 118.68 128.70 1igi s LEU 46 Ca -0.04 2.40 -0.00 0.00 -0.22 0.00 0.00 54.13 56.27 1igi s LEU 46 Cb -0.13 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 1igi s LEU 46 CO -0.03 -0.30 -0.01 0.18 -1.32 0.00 0.00 176.35 174.87 1igi n LEU 47 N 1.29 0.62 -4.12 -0.68 4.77 -0.77 -4.85 117.00 113.27 1igi n LEU 47 Ca 0.00 0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1igi n LEU 47 Cb 0.44 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 1igi n LEU 47 CO 0.56 -0.40 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.14 1igi s ILE 48 N -2.01 0.99 0.22 -0.08 1.01 -1.20 0.00 121.20 120.13 1igi s ILE 48 Ca -0.01 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.79 1igi s ILE 48 Cb 0.00 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.52 1igi s ILE 48 CO 0.01 -0.00 -0.08 -0.72 0.00 0.00 0.00 174.94 174.14 1igi s TYR 49 N -0.80 1.65 -0.71 3.97 1.13 0.82 -0.41 117.35 122.99 1igi s TYR 49 Ca 0.01 -0.73 -0.15 0.00 -1.41 0.00 0.00 57.07 54.79 1igi s TYR 49 Cb -0.07 -0.88 0.02 0.00 -1.10 0.00 0.00 41.96 39.93 1igi s TYR 49 CO 0.01 0.19 0.43 1.63 -2.51 0.00 0.00 175.55 175.30 1igi n LYS 50 N -0.41 -0.69 0.00 -3.49 5.02 -1.14 -0.60 118.16 116.85 1igi n LYS 50 Ca -0.07 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1igi n LYS 50 Cb 0.62 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1igi n LYS 50 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1igi n VAL 51 N -3.03 0.00 -0.30 -0.18 0.24 0.14 -3.46 118.33 111.74 1igi n VAL 51 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1igi n VAL 51 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1igi n VAL 51 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1igi n SER 52 N 0.00 1.00 -4.54 -1.34 3.41 -1.20 -3.61 113.62 107.34 1igi n SER 52 Ca 0.00 -1.29 -0.43 0.00 -0.26 0.00 0.00 58.87 56.89 1igi n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1igi n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1igi s ASN 53 N -0.29 6.39 0.24 4.04 0.01 0.23 -4.70 114.94 120.85 1igi s ASN 53 Ca 0.00 -0.15 -0.31 0.00 -0.71 0.00 0.00 52.86 51.70 1igi s ASN 53 Cb 0.00 -2.37 -0.11 0.00 0.41 0.00 0.00 41.25 39.19 1igi s ASN 53 CO 0.00 -0.87 1.54 -0.13 -1.51 0.00 0.00 177.10 176.13 1igi s ARG 54 N 3.16 4.20 0.61 -0.60 0.52 -1.26 -0.13 118.95 125.45 1igi s ARG 54 Ca 0.28 2.42 -0.05 0.00 -0.52 0.00 0.00 55.73 57.86 1igi s ARG 54 Cb -0.13 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.28 1igi s ARG 54 CO 0.21 -0.55 0.90 0.12 0.02 0.00 0.00 175.30 176.00 1igi s PHE 55 N 0.36 3.10 0.09 -0.53 5.36 0.10 -4.89 117.98 121.56 1igi s PHE 55 Ca 0.64 0.47 -0.33 0.00 -0.96 0.00 0.00 56.93 56.75 1igi s PHE 55 Cb -0.45 -2.84 -0.12 0.00 -0.34 0.00 0.00 43.02 39.27 1igi s PHE 55 CO 0.41 -0.97 1.75 0.43 -1.46 0.00 0.00 175.22 175.38 1igi n SER 56 N -2.62 3.55 0.00 6.13 7.64 -1.26 -2.14 113.62 124.91 1igi n SER 56 Ca 0.06 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1igi n SER 56 Cb 0.59 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1igi n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igi n GLY 57 N 3.96 2.23 3.69 0.23 0.00 -1.26 -5.02 105.19 109.02 1igi n GLY 57 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1igi n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igi s VAL 58 N -2.91 4.33 0.90 1.61 1.01 -0.91 -5.01 120.40 119.42 1igi s VAL 58 Ca 0.00 1.65 -0.11 0.00 0.00 0.00 0.00 61.98 63.52 1igi s VAL 58 Cb 0.00 -4.06 0.14 0.00 0.00 0.00 0.00 36.38 32.45 1igi s VAL 58 CO 0.00 0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.06 1igi s PRO 59 N 1.98 1.16 0.61 2.72 0.04 -1.26 -4.86 135.00 135.39 1igi s PRO 59 Ca 0.55 1.15 0.27 0.00 0.04 0.00 0.00 61.00 63.01 1igi s PRO 59 Cb -0.24 -1.77 1.22 0.00 0.04 0.00 0.00 34.50 33.75 1igi s PRO 59 CO 0.23 -2.40 1.64 0.38 0.04 0.00 0.00 177.00 176.88 1igi h ASP 60 N -1.68 0.00 0.14 6.66 2.03 -1.99 -3.08 116.42 118.49 1igi h ASP 60 Ca -0.47 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.75 1igi h ASP 60 Cb 1.27 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.76 1igi h ASP 60 CO 0.49 0.00 -0.28 0.03 -1.03 0.00 0.00 179.24 178.45 1igi h ARG 61 N 0.00 0.23 -6.04 4.15 3.08 -1.94 -3.43 114.38 110.43 1igi h ARG 61 Ca 0.30 -0.08 -0.56 0.00 0.07 0.00 0.00 59.98 59.70 1igi h ARG 61 Cb 1.85 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 31.83 1igi h ARG 61 CO -0.00 0.50 0.03 -0.06 -1.07 0.00 0.00 179.97 179.36 1igi s PHE 62 N -4.41 3.62 0.08 3.04 0.08 -1.17 -1.83 117.98 117.40 1igi s PHE 62 Ca -0.05 1.20 -0.06 0.00 0.12 0.00 0.00 56.93 58.14 1igi s PHE 62 Cb 0.14 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1igi s PHE 62 CO 0.75 0.21 0.13 -1.54 -0.10 0.00 0.00 175.22 174.68 1igi s SER 63 N 0.33 0.22 0.09 1.36 1.04 -0.35 -4.95 113.70 111.44 1igi s SER 63 Ca 0.34 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 56.04 1igi s SER 63 Cb -0.18 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1igi s SER 63 CO 0.17 -0.70 -0.11 -0.83 0.98 0.00 0.00 173.24 172.75 1igi s GLY 64 N -2.89 0.84 0.35 7.32 0.00 -1.26 -0.58 107.32 111.10 1igi s GLY 64 Ca 0.07 -1.13 -0.17 0.00 0.00 0.00 0.00 44.72 43.49 1igi s GLY 64 CO -0.10 -1.19 0.85 -1.35 0.00 0.00 0.00 173.10 171.31 1igi s SER 65 N -2.25 0.03 0.00 1.64 1.04 -0.88 -4.37 113.70 108.90 1igi s SER 65 Ca 0.03 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1igi s SER 65 Cb -0.05 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1igi s SER 65 CO 0.01 -1.56 0.00 0.61 0.98 0.00 0.00 173.24 173.28 1igi n GLY 66 N -0.58 0.61 0.00 7.32 0.00 -1.26 -2.84 105.19 108.44 1igi n GLY 66 Ca -0.07 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1igi n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1igi n SER 67 N 0.09 0.00 0.00 1.61 3.41 -0.91 -5.01 113.62 112.81 1igi n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1igi n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1igi n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1igi n GLY 68 N -0.22 0.27 0.13 5.00 0.00 -1.26 -1.84 105.19 107.26 1igi n GLY 68 Ca 0.00 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.73 1igi n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1igi n THR 69 N 0.00 0.00 -4.01 2.61 -2.24 -1.26 -2.18 114.28 107.21 1igi n THR 69 Ca 0.00 -0.37 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 1igi n THR 69 Cb 0.00 1.07 -0.17 0.00 -2.10 0.00 0.00 70.33 69.13 1igi n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1igi s ASP 70 N -1.43 1.61 0.07 3.42 1.11 -0.76 -0.65 116.67 120.04 1igi s ASP 70 Ca 0.06 -0.18 -0.02 0.00 0.18 0.00 0.00 52.55 52.58 1igi s ASP 70 Cb 0.07 -0.60 -0.04 0.00 1.07 0.00 0.00 42.92 43.42 1igi s ASP 70 CO 0.26 -0.11 0.01 -0.36 1.18 0.00 0.00 175.17 176.15 1igi s PHE 71 N 1.47 0.53 -0.06 4.23 0.08 0.32 -2.14 117.98 122.39 1igi s PHE 71 Ca -0.01 -1.04 -0.06 0.00 0.12 0.00 0.00 56.93 55.94 1igi s PHE 71 Cb -0.13 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1igi s PHE 71 CO -0.04 -0.42 0.17 0.99 -0.10 0.00 0.00 175.22 175.82 1igi s THR 72 N -3.93 -0.00 -0.16 0.64 2.01 -1.13 -0.88 115.64 112.18 1igi s THR 72 Ca 0.09 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1igi s THR 72 Cb 0.08 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 1igi s THR 72 CO -0.08 0.01 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.58 1igi s LEU 73 N 0.20 3.08 0.04 4.42 2.96 -0.27 -2.08 118.68 127.03 1igi s LEU 73 Ca -0.01 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 1igi s LEU 73 Cb -0.02 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1igi s LEU 73 CO -0.01 0.13 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.41 1igi s LYS 74 N 0.59 2.01 -0.02 1.98 3.01 0.25 -1.36 119.74 126.20 1igi s LYS 74 Ca -0.04 -1.01 0.05 0.00 -1.01 0.00 0.00 55.97 53.97 1igi s LYS 74 Cb -0.15 -2.14 -0.01 0.00 -1.01 0.00 0.00 37.83 34.52 1igi s LYS 74 CO 0.03 0.54 -0.17 0.42 0.51 0.00 0.00 175.35 176.67 1igi s ILE 75 N -0.89 1.39 -0.11 2.17 1.01 -0.67 -1.21 121.20 122.90 1igi s ILE 75 Ca 0.14 -0.74 0.16 0.00 0.00 0.00 0.00 60.65 60.21 1igi s ILE 75 Cb -0.10 -1.17 -0.22 0.00 0.01 0.00 0.00 42.46 40.97 1igi s ILE 75 CO 0.04 0.40 0.49 -1.54 0.00 0.00 0.00 174.94 174.33 1igi n SER 76 N 2.81 0.54 -3.44 3.58 3.41 -0.76 -1.48 113.62 118.27 1igi n SER 76 Ca -0.16 0.25 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1igi n SER 76 Cb 0.54 0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 64.81 1igi n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1igi s ARG 77 N -2.67 0.26 -0.83 4.33 0.52 -1.24 -4.04 118.95 115.28 1igi s ARG 77 Ca -0.06 0.14 -0.25 0.00 -0.52 0.00 0.00 55.73 55.04 1igi s ARG 77 Cb 0.08 -0.91 -0.03 0.00 0.52 0.00 0.00 34.95 34.61 1igi s ARG 77 CO 0.83 -0.78 1.88 0.08 0.02 0.00 0.00 175.30 177.33 1igi s VAL 78 N 2.37 3.46 0.60 3.52 1.01 0.15 -4.81 120.40 126.71 1igi s VAL 78 Ca 0.09 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 1igi s VAL 78 Cb -0.15 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1igi s VAL 78 CO -0.20 -1.03 1.05 -1.61 0.00 0.00 0.00 175.10 173.32 1igi s GLU 79 N 6.85 3.31 0.43 2.72 8.01 -1.26 -1.36 118.70 137.40 1igi s GLU 79 Ca 0.67 1.13 0.21 0.00 0.01 0.00 0.00 54.97 56.99 1igi s GLU 79 Cb -0.08 -2.03 1.18 0.00 -4.31 0.00 0.00 34.13 28.89 1igi s GLU 79 CO 0.04 -0.81 1.81 0.00 0.01 0.00 0.00 175.26 176.31 1igi h ALA 80 N 0.27 2.38 0.00 5.21 0.00 -1.98 0.02 119.26 125.16 1igi h ALA 80 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1igi h ALA 80 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1igi h ALA 80 CO 0.58 -0.73 0.00 1.05 0.00 0.00 0.00 179.25 180.15 1igi h GLU 81 N 0.32 0.00 0.00 0.00 4.11 -2.00 -2.80 114.58 114.21 1igi h GLU 81 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 1igi h GLU 81 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1igi h GLU 81 CO -0.20 0.00 -0.43 -0.25 0.07 0.00 0.00 179.01 178.20 1igi n ASP 82 N -2.80 0.43 -4.66 3.06 8.00 -0.01 -4.90 116.55 115.68 1igi n ASP 82 Ca -0.02 -0.10 -0.43 0.00 0.71 0.00 0.00 54.79 54.95 1igi n ASP 82 Cb 0.07 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1igi n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1igi s LEU 83 N -3.10 4.26 0.00 0.64 1.43 -1.06 -4.85 118.68 116.01 1igi s LEU 83 Ca 0.11 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1igi s LEU 83 Cb 0.17 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1igi s LEU 83 CO 0.67 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1igi n GLY 84 N 3.95 -0.99 3.52 -3.19 0.00 -1.23 -4.55 105.19 102.70 1igi n GLY 84 Ca 0.16 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1igi n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1igi s ILE 85 N -3.00 4.23 -0.14 -0.61 1.01 -0.65 -1.56 121.20 120.48 1igi s ILE 85 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1igi s ILE 85 Cb 0.00 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1igi s ILE 85 CO 0.00 0.45 0.08 -0.31 0.00 0.00 0.00 174.94 175.16 1igi s TYR 86 N 0.69 3.38 0.26 3.97 1.51 -1.10 -1.05 117.35 125.00 1igi s TYR 86 Ca 0.01 0.30 0.09 0.00 -1.01 0.00 0.00 57.07 56.45 1igi s TYR 86 Cb -0.14 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1igi s TYR 86 CO 0.02 0.45 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.73 1igi s PHE 87 N -0.42 1.97 -0.01 2.71 0.40 -0.85 -1.14 117.98 120.64 1igi s PHE 87 Ca 0.10 -0.55 0.07 0.00 -0.60 0.00 0.00 56.93 55.96 1igi s PHE 87 Cb -0.12 -0.98 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1igi s PHE 87 CO 0.02 0.44 -0.24 0.00 0.70 0.00 0.00 175.22 176.14 1igi s SER 89 N -0.64 2.14 0.01 0.00 0.15 -1.06 -0.62 113.70 113.68 1igi s SER 89 Ca 0.09 -0.74 0.08 0.00 0.70 0.00 0.00 55.95 56.08 1igi s SER 89 Cb -0.09 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1igi s SER 89 CO -0.01 -0.07 -0.25 0.00 1.20 0.00 0.00 173.24 174.12 1igi s GLN 90 N -2.29 1.99 -0.05 5.44 1.03 -0.55 -2.45 119.66 122.77 1igi s GLN 90 Ca 0.07 -1.01 0.08 0.00 0.04 0.00 0.00 55.36 54.54 1igi s GLN 90 Cb -0.07 -2.05 0.12 0.00 0.03 0.00 0.00 33.01 31.04 1igi s GLN 90 CO 0.04 0.54 1.00 0.25 -2.54 0.00 0.00 175.29 174.57 1igi n THR 91 N 2.04 0.96 0.13 3.63 -2.24 -0.66 -3.43 114.28 114.71 1igi n THR 91 Ca -0.16 -1.12 -0.24 0.00 -2.27 0.00 0.00 64.05 60.26 1igi n THR 91 Cb 0.52 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.86 1igi n THR 91 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1igi h THR 92 N 2.25 1.22 -3.16 4.28 2.02 -1.87 -3.47 112.91 114.18 1igi h THR 92 Ca 0.00 -2.69 -0.65 0.00 0.77 0.00 0.00 66.41 63.84 1igi h THR 92 Cb 1.01 2.97 -0.17 0.00 -1.74 0.00 0.00 68.15 70.22 1igi h THR 92 CO 0.00 0.83 -0.79 -1.00 0.37 0.00 0.00 175.52 174.93 1igi s HIS 93 N -2.60 2.42 0.11 3.16 3.76 -1.26 -4.99 115.29 115.89 1igi s HIS 93 Ca -0.10 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1igi s HIS 93 Cb 0.05 -1.20 -0.06 0.00 1.11 0.00 0.00 32.58 32.48 1igi s HIS 93 CO 0.92 0.50 0.46 0.08 -0.85 0.00 0.00 174.74 175.85 1igi s VAL 94 N -1.65 5.00 1.00 -0.90 1.01 -1.26 -3.51 120.40 120.08 1igi s VAL 94 Ca 0.22 0.59 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1igi s VAL 94 Cb -0.08 -3.68 0.19 0.00 0.00 0.00 0.00 36.38 32.81 1igi s VAL 94 CO 0.11 0.25 1.09 -2.16 0.00 0.00 0.00 175.10 174.40 1igi s PRO 95 N -1.97 0.41 0.20 2.72 0.04 -1.26 -2.99 135.00 132.15 1igi s PRO 95 Ca 0.35 0.55 -0.32 0.00 0.04 0.00 0.00 61.00 61.63 1igi s PRO 95 Cb -0.14 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 1igi s PRO 95 CO 0.19 -2.75 1.23 -2.30 0.04 0.00 0.00 177.00 173.40 1igi n PRO 96 N -4.19 1.43 -4.32 0.56 -0.02 -1.23 -4.66 135.00 122.56 1igi n PRO 96 Ca 0.05 0.51 -0.17 0.00 -2.02 0.00 0.00 63.50 61.87 1igi n PRO 96 Cb 0.57 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 1igi n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1igi s THR 97 N -0.20 0.82 -0.01 3.45 -4.23 -1.22 -5.00 115.64 109.25 1igi s THR 97 Ca 0.71 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 59.12 1igi s THR 97 Cb -0.78 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 70.60 1igi s THR 97 CO 0.52 -0.20 0.19 -0.36 -0.54 0.00 0.00 174.62 174.23 1igi s PHE 98 N -3.57 -0.04 0.99 3.99 0.40 -1.26 -1.48 117.98 117.01 1igi s PHE 98 Ca 0.32 0.05 -0.15 0.00 -0.60 0.00 0.00 56.93 56.55 1igi s PHE 98 Cb 0.07 0.00 0.19 0.00 0.51 0.00 0.00 43.02 43.79 1igi s PHE 98 CO 0.10 -0.29 1.17 0.20 0.70 0.00 0.00 175.22 177.11 1igi s GLY 99 N -1.18 1.62 0.03 4.36 0.00 0.21 -4.54 107.32 107.82 1igi s GLY 99 Ca -0.13 -0.77 0.27 0.00 0.00 0.00 0.00 44.72 44.09 1igi s GLY 99 CO 0.02 -0.09 1.73 0.61 0.00 0.00 0.00 173.10 175.37 1igi n GLY 100 N -2.23 -1.45 0.00 0.20 0.00 -1.26 -4.63 105.19 95.82 1igi n GLY 100 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1igi n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igi n GLY 101 N 1.47 1.64 2.98 -0.02 0.00 -1.26 -4.98 105.19 105.02 1igi n GLY 101 Ca 0.06 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1igi n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1igi s THR 102 N -1.94 2.08 -0.29 2.61 2.01 -0.29 -4.73 115.64 115.09 1igi s THR 102 Ca 0.00 -2.17 -0.29 0.00 0.31 0.00 0.00 61.69 59.54 1igi s THR 102 Cb 0.00 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1igi s THR 102 CO 0.00 -0.57 1.60 -0.75 -0.69 0.00 0.00 174.62 174.21 1igi s LYS 103 N 1.01 3.65 0.06 4.92 2.47 -1.14 -2.72 119.74 127.99 1igi s LYS 103 Ca 0.10 1.44 -0.30 0.00 -1.56 0.00 0.00 55.97 55.65 1igi s LYS 103 Cb -0.19 -4.06 -0.05 0.00 -1.46 0.00 0.00 37.83 32.08 1igi s LYS 103 CO -0.10 -1.47 0.97 -0.51 0.16 0.00 0.00 175.35 174.41 1igi s LEU 104 N 5.59 4.44 0.06 5.43 1.43 -0.60 -0.97 118.68 134.06 1igi s LEU 104 Ca 0.70 1.74 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 1igi s LEU 104 Cb -0.22 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 1igi s LEU 104 CO 0.30 -0.15 0.05 -1.83 0.23 0.00 0.00 176.35 174.95 1igi s GLU 105 N 0.43 0.65 -0.10 1.70 -1.05 -0.71 -3.57 118.70 116.05 1igi s GLU 105 Ca 0.49 -1.03 -0.30 0.00 -0.15 0.00 0.00 54.97 53.98 1igi s GLU 105 Cb -0.22 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.69 1igi s GLU 105 CO 0.29 -0.15 1.03 0.42 0.95 0.00 0.00 175.26 177.80 1igi s ILE 106 N -3.53 4.72 0.59 1.83 1.01 -1.26 -1.23 121.20 123.33 1igi s ILE 106 Ca 0.03 1.99 -0.16 0.00 0.00 0.00 0.00 60.65 62.51 1igi s ILE 106 Cb 0.05 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1igi s ILE 106 CO -0.09 -0.00 1.07 -0.75 0.00 0.00 0.00 174.94 175.17 1igi s LYS 107 N 2.08 3.27 0.11 2.79 2.20 -0.77 -4.84 119.74 124.59 1igi s LYS 107 Ca 0.49 1.29 -0.08 0.00 -0.36 0.00 0.00 55.97 57.32 1igi s LYS 107 Cb -0.19 -2.02 0.03 0.00 -1.51 0.00 0.00 37.83 34.14 1igi s LYS 107 CO 0.18 -0.86 0.38 2.89 -0.36 0.00 0.00 175.35 177.59 1igi n ARG 108 N -1.92 0.34 -2.90 4.03 1.85 -1.26 -4.90 116.66 111.90 1igi n ARG 108 Ca 0.09 -0.71 -0.40 0.00 -1.00 0.00 0.00 57.85 55.83 1igi n ARG 108 Cb 0.52 0.93 -0.04 0.00 -1.05 0.00 0.00 32.46 32.82 1igi n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1igi s ALA 109 N -1.43 3.30 0.24 2.89 0.00 -1.26 -4.99 121.76 120.51 1igi s ALA 109 Ca 0.08 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.08 1igi s ALA 109 Cb -0.01 -3.11 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 1igi s ALA 109 CO 0.03 -0.05 1.22 -0.25 0.00 0.00 0.00 175.76 176.71 1igi n ASP 110 N 3.28 1.92 -4.54 0.00 8.00 -1.26 -4.81 116.55 119.13 1igi n ASP 110 Ca 0.00 1.16 -0.24 0.00 0.71 0.00 0.00 54.79 56.42 1igi n ASP 110 Cb 0.50 -1.33 -0.09 0.00 -0.02 0.00 0.00 41.12 40.19 1igi n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1igi s ALA 111 N -0.43 2.94 -0.06 2.24 0.00 -0.84 -4.89 121.76 120.72 1igi s ALA 111 Ca 0.67 -1.88 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1igi s ALA 111 Cb -0.72 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1igi s ALA 111 CO 0.54 0.21 -0.16 0.00 0.00 0.00 0.00 175.76 176.35 1igi s ALA 112 N -2.49 2.56 0.37 0.00 0.00 -1.26 -3.15 121.76 117.79 1igi s ALA 112 Ca 0.31 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 1igi s ALA 112 Cb -0.03 -0.93 -0.11 0.00 0.00 0.00 0.00 23.12 22.04 1igi s ALA 112 CO 0.17 0.50 1.27 -0.35 0.00 0.00 0.00 175.76 177.35 1igi n PRO 113 N 2.54 2.02 -3.48 0.00 -0.04 -1.26 -4.63 135.00 130.16 1igi n PRO 113 Ca -0.17 0.71 -0.41 0.00 -0.04 0.00 0.00 63.50 63.59 1igi n PRO 113 Cb 0.52 -2.32 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1igi n PRO 113 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1igi n THR 114 N 0.13 3.86 -1.82 0.52 -1.04 -1.04 -4.94 114.28 109.95 1igi n THR 114 Ca 0.05 -5.27 -0.40 0.00 -2.04 0.00 0.00 64.05 56.40 1igi n THR 114 Cb 0.37 -2.49 0.01 0.00 -1.82 0.00 0.00 70.33 66.41 1igi n THR 114 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1igi s VAL 115 N -1.35 2.12 -0.18 12.58 1.01 -1.25 -2.68 120.40 130.65 1igi s VAL 115 Ca 0.30 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 1igi s VAL 115 Cb -0.08 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1igi s VAL 115 CO -0.10 0.02 0.43 -0.44 0.00 0.00 0.00 175.10 175.01 1igi s SER 116 N -0.53 -0.54 0.08 3.32 0.01 -0.09 -4.94 113.70 111.01 1igi s SER 116 Ca 0.60 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.87 1igi s SER 116 Cb -0.43 0.84 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 1igi s SER 116 CO 0.56 -0.19 -0.12 -0.51 0.41 0.00 0.00 173.24 173.39 1igi s ILE 117 N 1.23 3.26 -0.06 1.44 2.07 -1.26 -0.40 121.20 127.48 1igi s ILE 117 Ca -0.08 -1.19 -0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1igi s ILE 117 Cb -0.07 -2.48 0.02 0.00 0.13 0.00 0.00 42.46 40.06 1igi s ILE 117 CO -0.11 0.20 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.73 1igi s PHE 118 N -1.12 0.78 0.51 3.50 0.40 0.14 -4.94 117.98 117.24 1igi s PHE 118 Ca 0.19 -0.24 -0.21 0.00 -0.60 0.00 0.00 56.93 56.07 1igi s PHE 118 Cb -0.11 -0.77 -0.06 0.00 0.51 0.00 0.00 43.02 42.59 1igi s PHE 118 CO 0.11 -0.27 1.18 -2.14 0.70 0.00 0.00 175.22 174.80 1igi s PRO 119 N 1.40 3.49 0.64 0.24 0.02 -1.26 -2.15 135.00 137.38 1igi s PRO 119 Ca -0.03 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.60 1igi s PRO 119 Cb -0.13 -2.23 -0.06 0.00 0.02 0.00 0.00 34.50 32.09 1igi s PRO 119 CO -0.03 -0.78 0.60 -0.35 -0.33 0.00 0.00 177.00 176.12 1igi n PRO 120 N -0.88 0.49 -2.88 5.54 -0.04 -1.17 -4.89 135.00 131.16 1igi n PRO 120 Ca 0.09 0.20 -0.32 0.00 -0.04 0.00 0.00 63.50 63.44 1igi n PRO 120 Cb 0.49 -1.83 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 1igi n PRO 120 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1igi s SER 121 N -1.31 6.69 0.18 3.54 1.04 -1.26 -4.93 113.70 117.65 1igi s SER 121 Ca 0.69 1.34 -0.26 0.00 0.48 0.00 0.00 55.95 58.20 1igi s SER 121 Cb -0.40 -2.40 0.05 0.00 0.10 0.00 0.00 66.02 63.36 1igi s SER 121 CO 0.54 -0.35 1.55 0.77 0.98 0.00 0.00 173.24 176.74 1igi h SER 122 N 1.67 -1.71 -0.68 7.02 4.64 -1.98 0.18 113.55 122.69 1igi h SER 122 Ca -0.48 0.29 0.14 0.00 -0.47 0.00 0.00 61.79 61.27 1igi h SER 122 Cb 1.18 0.79 -0.13 0.00 -0.31 0.00 0.00 62.40 63.93 1igi h SER 122 CO 0.64 -0.30 -0.17 -0.33 -0.87 0.00 0.00 176.83 175.80 1igi h GLU 123 N -0.12 0.00 -0.36 4.77 3.07 -1.98 0.37 114.58 120.34 1igi h GLU 123 Ca 0.21 -0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.90 1igi h GLU 123 Cb 0.53 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1igi h GLU 123 CO -0.83 0.00 -0.43 0.37 -1.40 0.00 0.00 179.01 176.72 1igi h GLN 124 N 0.00 0.91 -0.15 2.33 4.15 -1.33 0.63 115.11 121.65 1igi h GLN 124 Ca 0.32 -0.50 -0.09 0.00 0.77 0.00 0.00 58.65 59.15 1igi h GLN 124 Cb 0.49 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1igi h GLN 124 CO -0.70 1.15 -0.30 -0.07 -1.93 0.00 0.00 178.83 176.99 1igi h LEU 125 N 0.73 0.30 -0.84 -2.39 3.38 0.10 0.56 115.31 117.15 1igi h LEU 125 Ca 0.05 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1igi h LEU 125 Cb 1.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1igi h LEU 125 CO 0.10 0.59 0.27 0.74 0.09 0.00 0.00 178.44 180.23 1igi h THR 126 N 0.26 1.25 -0.15 0.22 2.02 0.19 -1.71 112.91 115.00 1igi h THR 126 Ca 0.04 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.40 1igi h THR 126 Cb 0.67 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1igi h THR 126 CO 0.05 0.34 0.10 -1.28 0.37 0.00 0.00 175.52 175.10 1igi h SER 127 N 1.09 0.05 0.00 4.18 0.87 0.13 -3.46 113.55 116.41 1igi h SER 127 Ca 0.24 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1igi h SER 127 Cb 0.25 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1igi h SER 127 CO -0.01 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 1igi n GLY 128 N -1.55 1.40 3.17 5.77 0.00 -0.56 -5.09 105.19 108.33 1igi n GLY 128 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1igi n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1igi s GLY 129 N -2.00 0.36 -0.20 -0.02 0.00 -0.84 -2.63 107.32 101.98 1igi s GLY 129 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 1igi s GLY 129 CO 0.00 -1.04 0.28 0.00 0.00 0.00 0.00 173.10 172.33 1igi s ALA 130 N -3.91 -0.58 -0.20 3.20 0.00 0.02 -3.29 121.76 117.00 1igi s ALA 130 Ca 0.09 0.61 -0.07 0.00 0.00 0.00 0.00 51.96 52.58 1igi s ALA 130 Cb 0.06 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1igi s ALA 130 CO -0.08 -1.10 0.07 -1.12 0.00 0.00 0.00 175.76 173.53 1igi s SER 131 N 2.41 5.50 -0.28 0.00 0.01 -1.26 -0.77 113.70 119.32 1igi s SER 131 Ca 0.07 0.00 -0.08 0.00 1.31 0.00 0.00 55.95 57.25 1igi s SER 131 Cb -0.15 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 1igi s SER 131 CO -0.12 0.11 0.11 -0.69 0.41 0.00 0.00 173.24 173.06 1igi s VAL 132 N 0.74 4.48 0.09 3.43 1.01 0.02 -3.04 120.40 127.14 1igi s VAL 132 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1igi s VAL 132 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1igi s VAL 132 CO 0.02 0.20 0.16 -0.69 0.00 0.00 0.00 175.10 174.79 1igi s VAL 133 N 1.62 4.93 -0.16 2.92 1.01 -0.91 -0.92 120.40 128.89 1igi s VAL 133 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1igi s VAL 133 Cb -0.16 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 32.87 1igi s VAL 133 CO 0.05 0.07 0.27 0.00 0.00 0.00 0.00 175.10 175.50 1igi s PHE 135 N 2.42 3.26 -0.58 0.00 0.08 0.47 -0.86 117.98 122.78 1igi s PHE 135 Ca 0.03 0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.20 1igi s PHE 135 Cb -0.13 -2.19 0.14 0.00 -0.57 0.00 0.00 43.02 40.28 1igi s PHE 135 CO -0.10 0.05 0.34 -0.51 -0.10 0.00 0.00 175.22 174.90 1igi s LEU 136 N 0.84 4.54 -0.09 -0.37 1.02 -0.25 -0.91 118.68 123.46 1igi s LEU 136 Ca 0.06 -3.21 -0.23 0.00 0.02 0.00 0.00 54.13 50.76 1igi s LEU 136 Cb -0.13 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 1igi s LEU 136 CO 0.02 -0.21 0.70 0.20 0.02 0.00 0.00 176.35 177.09 1igi s ASN 137 N -0.47 6.95 -0.72 2.29 0.01 -1.09 -1.56 114.94 120.34 1igi s ASN 137 Ca 0.19 1.15 -0.00 0.00 -0.71 0.00 0.00 52.86 53.49 1igi s ASN 137 Cb -0.20 -2.41 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 1igi s ASN 137 CO -0.04 -0.16 0.60 0.59 -1.51 0.00 0.00 177.10 176.58 1igi n ASN 138 N 4.05 -2.11 -4.98 -1.22 4.13 -0.65 -2.51 115.26 111.97 1igi n ASN 138 Ca -0.01 -0.37 -0.20 0.00 1.68 0.00 0.00 54.58 55.68 1igi n ASN 138 Cb 0.51 -3.29 -0.01 0.00 -1.54 0.00 0.00 39.78 35.45 1igi n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1igi s PHE 139 N -3.22 3.29 -0.10 3.10 -0.71 0.23 -4.51 117.98 116.06 1igi s PHE 139 Ca 0.01 -0.11 -0.07 0.00 -1.04 0.00 0.00 56.93 55.71 1igi s PHE 139 Cb -0.00 -1.76 0.03 0.00 -1.21 0.00 0.00 43.02 40.08 1igi s PHE 139 CO 0.44 0.24 0.25 -0.47 -1.34 0.00 0.00 175.22 174.34 1igi s TYR 140 N -2.07 -0.29 1.17 3.49 5.04 -1.19 -1.70 117.35 121.80 1igi s TYR 140 Ca 0.39 0.71 -0.13 0.00 -2.44 0.00 0.00 57.07 55.59 1igi s TYR 140 Cb -0.09 0.08 0.27 0.00 0.35 0.00 0.00 41.96 42.57 1igi s TYR 140 CO 0.30 -0.17 0.89 -0.35 -1.34 0.00 0.00 175.55 174.88 1igi n PRO 141 N 3.40 -2.38 0.00 4.97 -0.04 -1.26 -1.99 135.00 137.70 1igi n PRO 141 Ca -0.17 -0.67 0.12 0.00 -0.04 0.00 0.00 63.50 62.75 1igi n PRO 141 Cb 0.56 -2.11 0.60 0.00 -0.04 0.00 0.00 33.50 32.52 1igi n PRO 141 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1igi n LYS 142 N -4.60 0.21 -2.32 0.54 2.85 -1.26 -4.61 118.16 108.96 1igi n LYS 142 Ca 0.03 0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.91 1igi n LYS 142 Cb 0.55 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.41 1igi n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1igi s ASP 143 N -2.76 6.21 0.15 -5.58 1.01 -1.26 -4.95 116.67 109.49 1igi s ASP 143 Ca 0.19 0.72 0.02 0.00 0.71 0.00 0.00 52.55 54.19 1igi s ASP 143 Cb 0.17 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1igi s ASP 143 CO 0.42 -1.56 -0.02 -0.51 0.21 0.00 0.00 175.17 173.72 1igi s ILE 144 N 5.83 0.66 -0.20 0.77 2.07 -1.26 -4.23 121.20 124.84 1igi s ILE 144 Ca 0.61 -1.96 -0.05 0.00 -1.41 0.00 0.00 60.65 57.84 1igi s ILE 144 Cb -0.14 -1.97 0.07 0.00 0.13 0.00 0.00 42.46 40.56 1igi s ILE 144 CO 0.31 -0.61 0.12 0.21 -1.91 0.00 0.00 174.94 173.06 1igi s ASN 145 N -3.12 2.31 -0.14 4.50 2.47 0.05 -4.99 114.94 116.02 1igi s ASN 145 Ca 0.20 -0.64 -0.13 0.00 0.42 0.00 0.00 52.86 52.71 1igi s ASN 145 Cb 0.06 -0.12 -0.05 0.00 -1.45 0.00 0.00 41.25 39.69 1igi s ASN 145 CO 0.01 -0.36 0.28 -0.69 -3.72 0.00 0.00 177.10 172.62 1igi s VAL 146 N 2.17 5.30 0.10 -5.21 1.01 -1.26 0.80 120.40 123.30 1igi s VAL 146 Ca 0.04 0.53 0.09 0.00 0.00 0.00 0.00 61.98 62.64 1igi s VAL 146 Cb -0.16 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1igi s VAL 146 CO -0.14 0.44 -0.23 -0.54 0.00 0.00 0.00 175.10 174.62 1igi s LYS 147 N 0.12 1.33 -0.08 2.72 1.02 -0.56 -5.01 119.74 119.28 1igi s LYS 147 Ca 0.17 -1.18 0.04 0.00 0.02 0.00 0.00 55.97 55.02 1igi s LYS 147 Cb -0.13 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 1igi s LYS 147 CO 0.05 0.39 -0.21 -1.58 -0.92 0.00 0.00 175.35 173.08 1igi s TRP 148 N -1.03 2.57 -0.06 3.18 0.52 -1.26 -1.50 118.94 121.35 1igi s TRP 148 Ca 0.10 -0.73 0.03 0.00 0.02 0.00 0.00 56.10 55.52 1igi s TRP 148 Cb -0.10 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.55 1igi s TRP 148 CO 0.04 -0.22 -0.16 0.15 0.02 0.00 0.00 176.95 176.78 1igi s LYS 149 N -0.00 1.93 -0.15 4.98 1.02 -0.50 0.94 119.74 127.96 1igi s LYS 149 Ca -0.07 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.37 1igi s LYS 149 Cb -0.15 -1.59 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1igi s LYS 149 CO 0.05 0.14 -0.19 0.42 -0.92 0.00 0.00 175.35 174.85 1igi s ILE 150 N 0.35 1.91 -1.62 2.17 1.01 -1.09 -0.83 121.20 123.10 1igi s ILE 150 Ca -0.11 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1igi s ILE 150 Cb -0.14 -1.72 0.10 0.00 0.01 0.00 0.00 42.46 40.71 1igi s ILE 150 CO 0.04 0.52 0.53 0.47 0.00 0.00 0.00 174.94 176.50 1igi n ASP 151 N 4.35 -1.58 0.00 3.58 8.00 -0.84 -2.92 116.55 127.14 1igi n ASP 151 Ca -0.20 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1igi n ASP 151 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 1igi n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1igi n GLY 152 N -1.71 2.67 3.88 0.44 0.00 -1.26 -5.01 105.19 104.20 1igi n GLY 152 Ca -0.09 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1igi n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1igi s SER 153 N 0.44 6.60 0.72 1.61 0.01 -1.15 -5.10 113.70 116.83 1igi s SER 153 Ca 0.00 0.81 -0.11 0.00 1.31 0.00 0.00 55.95 57.95 1igi s SER 153 Cb 0.00 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 64.07 1igi s SER 153 CO 0.00 0.02 1.08 -0.70 0.41 0.00 0.00 173.24 174.05 1igi s GLU 154 N -2.56 2.76 -0.04 12.44 -6.30 -1.26 -2.68 118.70 121.05 1igi s GLU 154 Ca 0.42 0.65 0.02 0.00 -2.50 0.00 0.00 54.97 53.56 1igi s GLU 154 Cb -0.12 -1.99 0.01 0.00 0.00 0.00 0.00 34.13 32.03 1igi s GLU 154 CO 0.22 -1.15 -0.09 0.50 0.02 0.00 0.00 175.26 174.76 1igi s ARG 155 N -5.21 1.15 0.01 4.30 6.06 0.27 -4.81 118.95 120.72 1igi s ARG 155 Ca 0.58 -0.29 0.00 0.00 -2.50 0.00 0.00 55.73 53.53 1igi s ARG 155 Cb -0.13 -1.04 0.00 0.00 0.06 0.00 0.00 34.95 33.85 1igi s ARG 155 CO 0.53 0.04 0.00 1.04 -2.50 0.00 0.00 175.30 174.41 1igi n GLN 156 N 3.64 0.00 -2.06 5.12 1.13 -1.26 -4.05 117.38 119.90 1igi n GLN 156 Ca -0.22 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.42 1igi n GLN 156 Cb 0.52 -0.49 -0.03 0.00 0.11 0.00 0.00 30.24 30.35 1igi n GLN 156 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1igi s ASN 157 N -5.11 6.25 0.00 1.08 3.04 -1.26 -3.42 114.94 115.53 1igi s ASN 157 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 52.86 54.49 1igi s ASN 157 Cb 0.00 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.18 1igi s ASN 157 CO 0.00 -1.37 0.00 0.61 -3.04 0.00 0.00 177.10 173.30 1igi n GLY 158 N 4.86 1.02 3.59 1.21 0.00 -1.26 -4.73 105.19 109.88 1igi n GLY 158 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1igi n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1igi s VAL 159 N -2.00 4.63 -0.29 1.61 1.01 -1.22 -0.99 120.40 123.16 1igi s VAL 159 Ca 0.00 0.97 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1igi s VAL 159 Cb 0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1igi s VAL 159 CO 0.00 -0.55 0.15 -0.22 0.00 0.00 0.00 175.10 174.48 1igi s LEU 160 N 3.36 3.93 -0.02 3.92 2.96 -0.21 -4.95 118.68 127.67 1igi s LEU 160 Ca 0.35 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1igi s LEU 160 Cb -0.12 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1igi s LEU 160 CO 0.19 -0.11 -0.23 0.20 -1.32 0.00 0.00 176.35 175.09 1igi s ASN 161 N 1.67 3.34 0.30 3.68 0.01 -1.26 -2.29 114.94 120.38 1igi s ASN 161 Ca 0.06 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1igi s ASN 161 Cb -0.16 -0.48 -0.00 0.00 0.41 0.00 0.00 41.25 41.01 1igi s ASN 161 CO 0.07 0.32 0.38 -0.24 -1.51 0.00 0.00 177.10 176.12 1igi n SER 162 N 2.36 -1.03 -3.54 -1.22 2.88 -0.59 -5.00 113.62 107.48 1igi n SER 162 Ca -0.16 -2.69 -0.11 0.00 -1.33 0.00 0.00 58.87 54.58 1igi n SER 162 Cb 0.51 2.00 -0.04 0.00 -0.75 0.00 0.00 64.21 65.93 1igi n SER 162 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1igi s TRP 163 N -3.19 -0.41 0.18 0.66 -0.11 -1.26 -2.34 118.94 112.47 1igi s TRP 163 Ca 0.27 0.57 0.01 0.00 1.22 0.00 0.00 56.10 58.17 1igi s TRP 163 Cb -0.00 0.47 -0.04 0.00 -1.50 0.00 0.00 33.47 32.40 1igi s TRP 163 CO 0.19 -0.46 0.35 0.99 -4.62 0.00 0.00 176.95 173.41 1igi s THR 164 N -1.80 5.26 0.43 5.86 2.01 0.29 -4.99 115.64 122.69 1igi s THR 164 Ca -0.01 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 1igi s THR 164 Cb -0.01 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.84 1igi s THR 164 CO -0.01 -0.16 0.58 -0.67 -0.69 0.00 0.00 174.62 173.68 1igi n ASP 165 N -0.69 0.76 -4.65 3.53 2.03 -1.26 -4.48 116.55 111.79 1igi n ASP 165 Ca -0.06 -1.65 -0.42 0.00 0.52 0.00 0.00 54.79 53.18 1igi n ASP 165 Cb 0.54 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 1igi n ASP 165 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1igi s GLN 166 N -3.98 4.08 0.16 -0.67 -0.21 -1.26 -4.64 119.66 113.13 1igi s GLN 166 Ca 0.38 2.39 -0.31 0.00 0.02 0.00 0.00 55.36 57.84 1igi s GLN 166 Cb -0.02 -4.11 -0.10 0.00 1.00 0.00 0.00 33.01 29.78 1igi s GLN 166 CO 0.26 -1.00 1.60 0.34 -2.12 0.00 0.00 175.29 174.36 1igi s ASP 167 N 4.28 6.56 -1.18 5.90 2.15 -1.14 -4.90 116.67 128.35 1igi s ASP 167 Ca 0.83 2.63 -0.15 0.00 0.43 0.00 0.00 52.55 56.30 1igi s ASP 167 Cb -0.38 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 39.59 1igi s ASP 167 CO 0.36 -0.85 2.23 -1.54 -0.17 0.00 0.00 175.17 175.20 1igi n SER 168 N 4.20 4.37 0.08 -0.34 3.41 -1.26 -1.89 113.62 122.20 1igi n SER 168 Ca 0.14 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1igi n SER 168 Cb 0.38 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 1igi n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1igi n LYS 169 N 5.69 0.00 -0.24 4.33 5.02 -1.26 -4.99 118.16 126.71 1igi n LYS 169 Ca 0.54 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.88 1igi n LYS 169 Cb 0.33 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.41 1igi n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1igi n ASP 170 N -2.95 1.26 -1.26 4.39 5.68 -1.17 -5.02 116.55 117.49 1igi n ASP 170 Ca 0.00 -2.50 -0.07 0.00 -0.50 0.00 0.00 54.79 51.72 1igi n ASP 170 Cb 0.00 -0.30 -0.03 0.00 -1.14 0.00 0.00 41.12 39.66 1igi n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1igi n SER 171 N -0.73 -1.87 -4.71 -1.12 7.64 -0.79 -4.92 113.62 107.12 1igi n SER 171 Ca 0.08 0.18 -0.32 0.00 1.01 0.00 0.00 58.87 59.82 1igi n SER 171 Cb 0.64 -1.97 -0.08 0.00 -1.01 0.00 0.00 64.21 61.79 1igi n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1igi s THR 172 N -1.62 4.27 0.43 0.44 -4.23 -1.26 -4.69 115.64 108.98 1igi s THR 172 Ca 0.00 -0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1igi s THR 172 Cb 0.00 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 1igi s THR 172 CO 0.00 0.29 0.67 -0.31 -0.54 0.00 0.00 174.62 174.72 1igi s TYR 173 N -1.19 3.40 -0.08 3.99 1.51 -0.69 -2.91 117.35 121.39 1igi s TYR 173 Ca 0.23 0.43 -0.08 0.00 -1.01 0.00 0.00 57.07 56.63 1igi s TYR 173 Cb -0.12 -2.19 0.02 0.00 -0.11 0.00 0.00 41.96 39.56 1igi s TYR 173 CO 0.14 -0.20 0.23 -1.12 -1.11 0.00 0.00 175.55 173.49 1igi s SER 174 N -4.13 -0.22 0.07 2.29 0.01 -1.26 -0.61 113.70 109.84 1igi s SER 174 Ca 0.45 0.41 0.01 0.00 1.31 0.00 0.00 55.95 58.13 1igi s SER 174 Cb -0.10 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 1igi s SER 174 CO 0.39 -0.12 -0.06 0.00 0.41 0.00 0.00 173.24 173.87 1igi s MET 175 N -0.04 0.66 0.02 12.44 0.23 -0.60 -0.55 119.30 131.46 1igi s MET 175 Ca -0.02 -1.10 0.07 0.00 -1.03 0.00 0.00 55.69 53.61 1igi s MET 175 Cb -0.02 -0.11 -0.02 0.00 -1.53 0.00 0.00 34.83 33.15 1igi s MET 175 CO 0.01 -0.02 -0.20 0.45 -2.03 0.00 0.00 175.02 173.23 1igi s SER 176 N -2.50 2.32 -0.01 -1.18 0.15 -0.99 -1.09 113.70 110.40 1igi s SER 176 Ca 0.03 -0.46 0.03 0.00 0.70 0.00 0.00 55.95 56.25 1igi s SER 176 Cb 0.01 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1igi s SER 176 CO -0.04 0.17 -0.10 -0.55 1.20 0.00 0.00 173.24 173.92 1igi s SER 177 N -0.94 1.25 -0.02 5.45 0.15 -0.04 -1.54 113.70 118.02 1igi s SER 177 Ca 0.07 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1igi s SER 177 Cb -0.08 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.08 1igi s SER 177 CO 0.01 0.12 0.02 -0.89 1.20 0.00 0.00 173.24 173.70 1igi s THR 178 N -0.16 0.01 -0.10 6.45 2.01 -0.97 0.49 115.64 123.37 1igi s THR 178 Ca 0.03 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1igi s THR 178 Cb -0.05 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.31 1igi s THR 178 CO -0.00 0.10 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.64 1igi s LEU 179 N 1.03 2.51 -0.16 4.42 2.96 -0.10 -1.04 118.68 128.31 1igi s LEU 179 Ca -0.09 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1igi s LEU 179 Cb -0.13 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.06 1igi s LEU 179 CO -0.03 0.20 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.19 1igi s THR 180 N 0.11 1.53 0.34 3.68 2.01 -0.16 -0.80 115.64 122.35 1igi s THR 180 Ca -0.08 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.26 1igi s THR 180 Cb -0.15 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1igi s THR 180 CO 0.05 0.37 0.16 -1.48 -0.69 0.00 0.00 174.62 173.04 1igi s LEU 181 N 1.49 1.79 0.92 4.42 0.05 0.05 -4.55 118.68 122.85 1igi s LEU 181 Ca 0.03 -1.61 -0.11 0.00 0.05 0.00 0.00 54.13 52.50 1igi s LEU 181 Cb -0.14 0.13 0.15 0.00 -2.05 0.00 0.00 46.19 44.28 1igi s LEU 181 CO -0.10 -0.91 1.10 -0.89 -0.55 0.00 0.00 176.35 175.00 1igi s THR 182 N -3.47 2.49 0.03 5.48 2.01 -1.26 -0.80 115.64 120.12 1igi s THR 182 Ca 0.33 0.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.24 1igi s THR 182 Cb 0.04 -2.41 -0.18 0.00 0.01 0.00 0.00 72.50 69.97 1igi s THR 182 CO 0.18 -0.21 1.45 0.50 -0.69 0.00 0.00 174.62 175.85 1igi h LYS 183 N -1.76 -0.10 -0.87 4.92 3.64 -1.76 -2.72 116.57 117.93 1igi h LYS 183 Ca -0.48 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.13 1igi h LYS 183 Cb 1.28 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.97 1igi h LYS 183 CO 0.49 0.17 0.12 0.22 -2.27 0.00 0.00 179.45 178.18 1igi h ASP 184 N -0.37 -0.22 1.40 4.20 3.58 -1.93 -0.70 116.42 122.38 1igi h ASP 184 Ca -0.01 0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 1igi h ASP 184 Cb 0.32 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1igi h ASP 184 CO 0.02 -0.21 -0.43 -0.08 -2.88 0.00 0.00 179.24 175.65 1igi h GLU 185 N 0.13 0.00 0.22 0.28 4.81 -1.93 -3.17 114.58 114.92 1igi h GLU 185 Ca 0.52 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.74 1igi h GLU 185 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1igi h GLU 185 CO -0.72 0.43 -0.11 -0.92 -0.73 0.00 0.00 179.01 176.96 1igi h TYR 186 N 0.00 -0.28 -0.70 0.92 3.20 -0.83 -3.23 116.97 116.06 1igi h TYR 186 Ca -0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 1igi h TYR 186 Cb 1.25 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 1igi h TYR 186 CO 0.00 0.09 0.47 0.93 -1.64 0.00 0.00 178.16 178.01 1igi h GLU 187 N -0.72 0.41 -1.03 1.82 5.08 -1.42 -1.67 114.58 117.04 1igi h GLU 187 Ca -0.03 -0.02 -0.40 0.00 -1.00 0.00 0.00 59.36 57.90 1igi h GLU 187 Cb 0.49 -0.09 -0.23 0.00 0.50 0.00 0.00 28.75 29.42 1igi h GLU 187 CO 0.05 0.27 0.51 2.89 -1.00 0.00 0.00 179.01 181.73 1igi n ARG 188 N -4.47 1.97 -4.03 2.33 1.85 -1.20 -4.91 116.66 108.20 1igi n ARG 188 Ca 0.13 -2.26 -0.10 0.00 -1.00 0.00 0.00 57.85 54.61 1igi n ARG 188 Cb 0.47 -1.89 -0.07 0.00 -1.05 0.00 0.00 32.46 29.92 1igi n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1igi s HIS 189 N -2.50 0.55 0.00 2.89 3.76 -0.63 -5.04 115.29 114.33 1igi s HIS 189 Ca 0.43 -0.88 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1igi s HIS 189 Cb 0.36 -0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.98 1igi s HIS 189 CO 0.07 -0.82 0.00 -1.71 -0.85 0.00 0.00 174.74 171.43 1igi n ASN 190 N -0.30 0.07 -4.68 1.40 2.85 -1.26 -4.78 115.26 108.55 1igi n ASN 190 Ca -0.03 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.09 1igi n ASN 190 Cb 0.63 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.56 1igi n ASN 190 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1igi s SER 191 N -4.12 5.35 -0.06 1.20 1.04 -1.26 0.00 113.70 115.85 1igi s SER 191 Ca 0.00 0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.61 1igi s SER 191 Cb 0.00 -1.60 0.01 0.00 0.10 0.00 0.00 66.02 64.53 1igi s SER 191 CO 0.00 0.35 -0.13 -0.31 0.98 0.00 0.00 173.24 174.12 1igi s TYR 192 N -0.70 1.54 -0.15 5.02 2.02 -0.49 -1.98 117.35 122.62 1igi s TYR 192 Ca 0.11 -0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 1igi s TYR 192 Cb -0.12 -1.11 0.05 0.00 -0.40 0.00 0.00 41.96 40.38 1igi s TYR 192 CO 0.02 -0.27 0.04 0.99 -1.57 0.00 0.00 175.55 174.76 1igi s THR 193 N 0.55 0.33 -0.47 -0.71 2.01 -0.01 -2.49 115.64 114.86 1igi s THR 193 Ca -0.13 -0.24 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1igi s THR 193 Cb -0.15 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.63 1igi s THR 193 CO 0.04 -0.07 0.78 0.00 -0.69 0.00 0.00 174.62 174.68 1igi s GLU 195 N 3.27 1.10 0.33 0.00 4.04 -0.56 -1.22 118.70 125.65 1igi s GLU 195 Ca 0.28 -1.49 -0.26 0.00 0.04 0.00 0.00 54.97 53.53 1igi s GLU 195 Cb -0.13 -2.57 -0.10 0.00 0.02 0.00 0.00 34.13 31.35 1igi s GLU 195 CO 0.21 -0.97 0.96 0.00 -1.84 0.00 0.00 175.26 173.61 1igi s ALA 196 N 1.22 3.20 -0.14 -0.84 0.00 0.97 -1.50 121.76 124.67 1igi s ALA 196 Ca 0.11 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1igi s ALA 196 Cb -0.18 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1igi s ALA 196 CO -0.16 0.13 -0.19 0.99 0.00 0.00 0.00 175.76 176.53 1igi s THR 197 N -1.61 2.39 0.18 0.00 2.01 0.24 -1.19 115.64 117.65 1igi s THR 197 Ca 0.51 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.70 1igi s THR 197 Cb -0.19 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1igi s THR 197 CO 0.25 0.54 -0.15 -2.28 -0.69 0.00 0.00 174.62 172.29 1igi s HIS 198 N 0.66 1.63 -0.54 4.92 2.46 -1.26 -0.77 115.29 122.38 1igi s HIS 198 Ca -0.10 -0.57 0.21 0.00 0.47 0.00 0.00 55.06 55.07 1igi s HIS 198 Cb -0.16 -0.79 0.91 0.00 -0.13 0.00 0.00 32.58 32.41 1igi s HIS 198 CO 0.02 0.29 1.63 0.36 -2.47 0.00 0.00 174.74 174.57 1igi n LYS 199 N -0.09 0.14 0.21 2.88 -0.00 -1.26 -3.04 118.16 117.00 1igi n LYS 199 Ca -0.10 0.44 0.10 0.00 -0.00 0.00 0.00 58.31 58.74 1igi n LYS 199 Cb 0.59 -1.81 0.26 0.00 -0.00 0.00 0.00 35.03 34.07 1igi n LYS 199 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1igi h THR 200 N 0.00 0.37 -3.70 0.58 1.35 -1.91 -3.44 112.91 106.15 1igi h THR 200 Ca 0.00 -1.31 -0.38 0.00 -0.55 0.00 0.00 66.41 64.17 1igi h THR 200 Cb 0.26 2.00 -0.31 0.00 -1.73 0.00 0.00 68.15 68.37 1igi h THR 200 CO 0.00 0.19 -0.77 -0.94 -0.25 0.00 0.00 175.52 173.75 1igi s SER 201 N -6.21 0.86 0.40 5.36 1.04 -1.17 -4.97 113.70 109.02 1igi s SER 201 Ca 0.04 -0.12 0.12 0.00 0.48 0.00 0.00 55.95 56.47 1igi s SER 201 Cb 0.07 -0.28 0.83 0.00 0.10 0.00 0.00 66.02 66.74 1igi s SER 201 CO 0.67 0.01 1.90 0.71 0.98 0.00 0.00 173.24 177.51 1igi h THR 202 N 5.60 1.20 -3.45 2.02 1.35 -1.86 -3.39 112.91 114.38 1igi h THR 202 Ca -0.34 -0.94 -0.59 0.00 -0.55 0.00 0.00 66.41 63.98 1igi h THR 202 Cb 1.17 1.46 -0.09 0.00 -1.73 0.00 0.00 68.15 68.96 1igi h THR 202 CO 0.49 0.27 0.58 -0.94 -0.25 0.00 0.00 175.52 175.67 1igi s SER 203 N -6.95 6.71 0.44 5.36 1.04 -1.26 -5.05 113.70 113.99 1igi s SER 203 Ca -0.04 0.66 -0.25 0.00 0.48 0.00 0.00 55.95 56.80 1igi s SER 203 Cb 0.15 -2.46 -0.08 0.00 0.10 0.00 0.00 66.02 63.73 1igi s SER 203 CO 0.72 -0.80 1.31 -2.84 0.98 0.00 0.00 173.24 172.61 1igi s PRO 204 N 3.37 3.77 -0.25 4.02 0.02 -1.26 -4.82 135.00 139.84 1igi s PRO 204 Ca 0.38 2.15 -0.23 0.00 0.02 0.00 0.00 61.00 63.31 1igi s PRO 204 Cb -0.13 -2.61 -0.01 0.00 0.02 0.00 0.00 34.50 31.77 1igi s PRO 204 CO 0.17 -0.66 0.75 0.42 -0.33 0.00 0.00 177.00 177.35 1igi s ILE 205 N -1.30 4.89 -0.29 2.83 1.09 -0.34 -4.93 121.20 123.15 1igi s ILE 205 Ca 0.61 1.39 0.02 0.00 -1.10 0.00 0.00 60.65 61.56 1igi s ILE 205 Cb -0.38 -4.05 0.07 0.00 -1.06 0.00 0.00 42.46 37.04 1igi s ILE 205 CO 0.48 -0.04 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.54 1igi s VAL 206 N 2.72 2.46 -0.13 2.92 1.01 -1.26 -0.02 120.40 128.10 1igi s VAL 206 Ca 0.32 -1.70 -0.03 0.00 0.00 0.00 0.00 61.98 60.57 1igi s VAL 206 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1igi s VAL 206 CO 0.08 -0.17 -0.04 -0.54 0.00 0.00 0.00 175.10 174.43 1igi s LYS 207 N 1.11 3.41 0.19 2.72 -0.14 -0.36 -4.98 119.74 121.70 1igi s LYS 207 Ca -0.04 -0.51 0.01 0.00 -1.36 0.00 0.00 55.97 54.07 1igi s LYS 207 Cb -0.20 -2.84 -0.05 0.00 -1.68 0.00 0.00 37.83 33.06 1igi s LYS 207 CO -0.04 0.38 0.05 -1.12 -0.76 0.00 0.00 175.35 173.86 1igi s SER 208 N -0.03 0.94 0.10 2.83 0.01 -1.26 -0.30 113.70 116.00 1igi s SER 208 Ca 0.01 -1.25 -0.25 0.00 1.31 0.00 0.00 55.95 55.77 1igi s SER 208 Cb -0.13 0.18 0.08 0.00 0.21 0.00 0.00 66.02 66.36 1igi s SER 208 CO 0.03 -0.66 0.70 0.72 0.41 0.00 0.00 173.24 174.43 1igi s PHE 209 N -3.80 -0.48 -0.13 2.43 -0.12 -1.04 -5.01 117.98 109.84 1igi s PHE 209 Ca 0.29 0.30 0.01 0.00 -0.05 0.00 0.00 56.93 57.48 1igi s PHE 209 Cb 0.07 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 43.03 1igi s PHE 209 CO 0.07 -0.74 -0.14 -0.80 -0.05 0.00 0.00 175.22 173.56 1igi s ASN 210 N -2.63 2.55 0.62 1.98 0.01 -1.26 -1.40 114.94 114.82 1igi s ASN 210 Ca 0.02 -0.45 0.26 0.00 -0.71 0.00 0.00 52.86 51.98 1igi s ASN 210 Cb -0.01 -1.11 1.29 0.00 0.41 0.00 0.00 41.25 41.83 1igi s ASN 210 CO -0.11 -0.04 1.72 -0.09 -1.51 0.00 0.00 177.10 177.07 1igi h ARG 211 N 7.88 0.00 0.00 -0.60 1.12 -0.72 -3.38 114.38 118.67 1igi h ARG 211 Ca -0.35 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.52 1igi h ARG 211 Cb 1.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1igi h ARG 211 CO 0.50 0.00 0.00 0.09 -3.11 0.00 0.00 179.97 177.45 1igi n ASN 212 N -3.25 0.00 0.00 -3.80 5.03 -1.26 -5.11 115.26 106.86 1igi n ASN 212 Ca 0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1igi n ASN 212 Cb 0.73 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.49 1igi n ASN 212 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81