#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7y s ARG 4 N 0.00 2.43 0.55 3.52 1.70 -1.26 -4.94 118.95 120.95 1s7y s ARG 4 Ca 0.00 1.42 -0.19 0.00 -0.47 0.00 0.00 55.73 56.49 1s7y s ARG 4 Cb 0.00 -1.90 -0.05 0.00 -0.57 0.00 0.00 34.95 32.42 1s7y s ARG 4 CO 0.00 -1.54 1.12 -1.54 -1.08 0.00 0.00 175.30 172.26 1s7y s SER 5 N -2.67 5.71 0.35 -2.89 1.04 -1.26 -4.80 113.70 109.18 1s7y s SER 5 Ca 0.67 2.13 -0.20 0.00 0.48 0.00 0.00 55.95 59.04 1s7y s SER 5 Cb -0.21 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.23 1s7y s SER 5 CO 0.47 -1.22 0.85 -0.76 0.98 0.00 0.00 173.24 173.56 1s7y s LEU 6 N -3.89 4.10 -0.29 2.42 1.43 0.41 -4.87 118.68 118.00 1s7y s LEU 6 Ca 0.72 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 1s7y s LEU 6 Cb -0.23 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 1s7y s LEU 6 CO 0.28 -0.21 0.20 -0.63 0.23 0.00 0.00 176.35 176.22 1s7y s ILE 7 N -1.94 5.30 -0.26 -0.59 -1.09 -1.26 -0.89 121.20 120.47 1s7y s ILE 7 Ca 0.55 0.13 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1s7y s ILE 7 Cb -0.12 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1s7y s ILE 7 CO 0.17 0.21 0.00 -0.69 -1.23 0.00 0.00 174.94 173.41 1s7y s VAL 8 N 1.77 3.44 0.25 2.92 1.01 -0.05 -0.33 120.40 129.41 1s7y s VAL 8 Ca 0.07 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1s7y s VAL 8 Cb -0.16 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 1s7y s VAL 8 CO 0.11 0.19 0.66 0.28 0.00 0.00 0.00 175.10 176.33 1s7y s THR 9 N 1.43 4.75 0.14 3.92 -1.32 0.15 -0.51 115.64 124.20 1s7y s THR 9 Ca 0.02 0.88 -0.03 0.00 -1.21 0.00 0.00 61.69 61.35 1s7y s THR 9 Cb -0.16 -3.69 0.01 0.00 -1.51 0.00 0.00 72.50 67.15 1s7y s THR 9 CO -0.01 0.00 0.25 1.07 -2.21 0.00 0.00 174.62 173.72 1s7y n THR 10 N 0.12 0.00 -3.86 5.08 5.66 -0.33 -1.87 114.28 119.09 1s7y n THR 10 Ca -0.00 -0.52 -0.11 0.00 -3.05 0.00 0.00 64.05 60.37 1s7y n THR 10 Cb 0.52 0.40 -0.10 0.00 -1.55 0.00 0.00 70.33 69.60 1s7y n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1s7y s ILE 11 N -2.62 0.07 -0.15 1.09 2.07 -1.26 -0.71 121.20 119.69 1s7y s ILE 11 Ca 0.08 -0.60 -0.29 0.00 -1.41 0.00 0.00 60.65 58.43 1s7y s ILE 11 Cb -0.01 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 42.13 1s7y s ILE 11 CO 0.06 -0.33 1.44 -0.76 -1.91 0.00 0.00 174.94 173.44 1s7y s LEU 12 N -1.21 4.16 -0.30 8.50 1.43 -1.26 -4.58 118.68 125.41 1s7y s LEU 12 Ca -0.13 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 1s7y s LEU 12 Cb -0.07 -3.54 0.18 0.00 0.03 0.00 0.00 46.19 42.79 1s7y s LEU 12 CO 0.02 -0.91 0.72 -0.70 0.23 0.00 0.00 176.35 175.71 1s7y s GLU 13 N 3.89 0.48 0.28 1.70 2.56 -0.43 -4.99 118.70 122.18 1s7y s GLU 13 Ca 0.63 0.94 -0.29 0.00 0.00 0.00 0.00 54.97 56.25 1s7y s GLU 13 Cb -0.25 0.54 -0.09 0.00 2.00 0.00 0.00 34.13 36.32 1s7y s GLU 13 CO 0.22 -0.43 1.06 -2.00 -0.56 0.00 0.00 175.26 173.55 1s7y s GLU 14 N 2.85 4.65 -0.32 4.30 2.12 -1.25 -0.40 118.70 130.65 1s7y s GLU 14 Ca 0.10 1.72 0.10 0.00 0.36 0.00 0.00 54.97 57.25 1s7y s GLU 14 Cb -0.13 -3.16 0.76 0.00 0.26 0.00 0.00 34.13 31.86 1s7y s GLU 14 CO -0.19 0.25 1.82 -0.35 -0.54 0.00 0.00 175.26 176.25 1s7y n PRO 15 N 1.16 3.89 0.13 4.30 -0.04 -1.26 -4.91 135.00 138.26 1s7y n PRO 15 Ca -0.01 -3.11 -0.24 0.00 -0.04 0.00 0.00 63.50 60.10 1s7y n PRO 15 Cb 0.46 -2.23 -0.16 0.00 -0.04 0.00 0.00 33.50 31.52 1s7y n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s7y h TYR 16 N 2.84 0.90 -2.87 0.54 -1.99 -1.07 -1.40 116.97 113.92 1s7y h TYR 16 Ca 0.24 -0.66 -0.17 0.00 2.00 0.00 0.00 58.73 60.14 1s7y h TYR 16 Cb 2.33 -0.04 -0.29 0.00 2.00 0.00 0.00 36.73 40.73 1s7y h TYR 16 CO 1.29 1.58 -0.44 0.08 -0.00 0.00 0.00 178.16 180.66 1s7y s VAL 17 N -2.60 -0.14 0.14 -2.88 1.01 0.27 -1.26 120.40 114.93 1s7y s VAL 17 Ca -0.10 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1s7y s VAL 17 Cb 0.05 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 36.00 1s7y s VAL 17 CO 0.92 0.07 0.44 -1.48 0.00 0.00 0.00 175.10 175.05 1s7y s LEU 18 N 1.59 0.23 0.05 3.92 2.34 -0.39 -1.32 118.68 125.10 1s7y s LEU 18 Ca -0.07 -0.30 -0.30 0.00 0.06 0.00 0.00 54.13 53.52 1s7y s LEU 18 Cb -0.10 1.98 -0.05 0.00 -0.56 0.00 0.00 46.19 47.45 1s7y s LEU 18 CO -0.10 -0.89 1.15 -0.36 -1.06 0.00 0.00 176.35 175.08 1s7y s PHE 19 N -3.81 3.49 0.24 3.48 0.40 -1.26 -1.44 117.98 119.08 1s7y s PHE 19 Ca 0.04 1.40 -0.30 0.00 -0.60 0.00 0.00 56.93 57.47 1s7y s PHE 19 Cb 0.01 -3.35 -0.09 0.00 0.51 0.00 0.00 43.02 40.11 1s7y s PHE 19 CO -0.11 -0.97 1.04 0.21 0.70 0.00 0.00 175.22 176.09 1s7y s LYS 20 N 1.02 4.71 -0.01 0.44 2.20 0.71 -4.84 119.74 123.97 1s7y s LYS 20 Ca 0.57 1.66 -0.05 0.00 -0.36 0.00 0.00 55.97 57.80 1s7y s LYS 20 Cb -0.27 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1s7y s LYS 20 CO 0.29 0.29 0.22 0.15 -0.36 0.00 0.00 175.35 175.93 1s7y s LYS 21 N -1.07 3.50 -0.10 4.03 1.02 -1.26 -4.90 119.74 120.96 1s7y s LYS 21 Ca 0.44 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.93 1s7y s LYS 21 Cb -0.29 -3.09 0.11 0.00 -0.52 0.00 0.00 37.83 34.04 1s7y s LYS 21 CO 0.36 0.67 0.89 0.45 -0.92 0.00 0.00 175.35 176.80 1s7y s SER 22 N -1.79 -0.45 0.32 2.83 0.15 -1.26 -5.01 113.70 108.49 1s7y s SER 22 Ca 0.27 0.44 0.25 0.00 0.70 0.00 0.00 55.95 57.61 1s7y s SER 22 Cb -0.13 0.38 0.68 0.00 -1.71 0.00 0.00 66.02 65.25 1s7y s SER 22 CO 0.17 -0.46 1.72 -2.24 1.20 0.00 0.00 173.24 173.63 1s7y h ASP 23 N 2.61 0.00 -3.09 5.45 2.03 -2.07 -3.45 116.42 117.90 1s7y h ASP 23 Ca -0.21 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.45 1s7y h ASP 23 Cb 1.17 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.52 1s7y h ASP 23 CO 0.33 0.00 -0.74 -0.54 -1.03 0.00 0.00 179.24 177.27 1s7y s LYS 24 N -3.19 2.00 0.30 4.15 -0.14 -1.26 -5.10 119.74 116.50 1s7y s LYS 24 Ca 0.08 -1.28 -0.29 0.00 -1.36 0.00 0.00 55.97 53.12 1s7y s LYS 24 Cb 0.09 -2.14 -0.12 0.00 -1.68 0.00 0.00 37.83 33.98 1s7y s LYS 24 CO 0.61 0.44 1.41 -2.30 -0.76 0.00 0.00 175.35 174.74 1s7y n PRO 25 N 0.13 2.28 -4.22 -1.68 -0.02 -1.26 -5.02 135.00 125.21 1s7y n PRO 25 Ca -0.11 0.81 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 1s7y n PRO 25 Cb 0.55 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 1s7y n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s7y s LEU 26 N -0.69 3.29 0.09 2.45 1.43 -1.26 -5.12 118.68 118.87 1s7y s LEU 26 Ca 0.61 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1s7y s LEU 26 Cb -0.57 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1s7y s LEU 26 CO 0.56 0.20 -0.09 -0.31 0.23 0.00 0.00 176.35 176.94 1s7y s TYR 27 N -1.22 1.01 0.00 0.29 1.51 -1.26 -4.82 117.35 112.87 1s7y s TYR 27 Ca 0.23 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1s7y s TYR 27 Cb -0.11 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 1s7y s TYR 27 CO 0.15 -0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.97 1s7y n GLY 28 N 0.50 2.65 0.19 0.71 0.00 -1.26 -2.09 105.19 105.89 1s7y n GLY 28 Ca -0.16 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.72 1s7y n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s7y h ASN 29 N 5.66 0.00 0.65 1.61 2.35 -1.96 -2.64 115.58 121.24 1s7y h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s7y h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1s7y h ASN 29 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 1s7y n ASP 30 N -2.51 0.00 0.17 5.81 8.00 -0.89 -2.84 116.55 124.29 1s7y n ASP 30 Ca 0.00 0.42 0.13 0.00 0.71 0.00 0.00 54.79 56.05 1s7y n ASP 30 Cb 0.17 -0.46 0.45 0.00 -0.02 0.00 0.00 41.12 41.25 1s7y n ASP 30 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1s7y h ARG 31 N 0.00 0.00 -6.23 -1.24 3.08 -1.58 -3.44 114.38 104.97 1s7y h ARG 31 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1s7y h ARG 31 Cb 0.32 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.25 1s7y h ARG 31 CO 0.00 0.00 -0.72 -0.06 -1.07 0.00 0.00 179.97 178.12 1s7y s PHE 32 N -3.31 2.45 0.25 3.04 0.40 -1.13 -0.20 117.98 119.47 1s7y s PHE 32 Ca 0.06 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.94 1s7y s PHE 32 Cb 0.09 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.55 1s7y s PHE 32 CO 0.54 0.67 0.55 -1.83 0.70 0.00 0.00 175.22 175.85 1s7y s GLU 33 N -3.51 1.58 0.00 0.44 -1.05 -0.52 -4.69 118.70 110.94 1s7y s GLU 33 Ca 0.30 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 1s7y s GLU 33 Cb -0.06 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1s7y s GLU 33 CO 0.17 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 176.10 1s7y n GLY 34 N -0.39 2.92 0.22 -3.83 0.00 -1.26 -1.26 105.19 101.59 1s7y n GLY 34 Ca -0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.04 1s7y n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1s7y h TYR 35 N 0.00 0.15 0.00 1.61 3.20 -1.04 -0.06 116.97 120.83 1s7y h TYR 35 Ca 0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1s7y h TYR 35 Cb 0.00 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1s7y h TYR 35 CO 0.00 -0.04 -0.42 0.00 -1.64 0.00 0.00 178.16 176.06 1s7y h ILE 37 N 0.00 1.33 -0.37 0.00 1.08 -1.24 -0.97 117.51 117.34 1s7y h ILE 37 Ca -0.00 -1.87 -0.08 0.00 -0.39 0.00 0.00 64.86 62.52 1s7y h ILE 37 Cb 0.87 1.84 -0.01 0.00 -3.07 0.00 0.00 36.82 36.45 1s7y h ILE 37 CO 0.06 0.58 -0.06 0.44 -0.69 0.00 0.00 178.15 178.47 1s7y h ASP 38 N 0.41 0.69 -0.27 1.72 3.32 -0.80 -2.25 116.42 119.25 1s7y h ASP 38 Ca -0.00 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.71 1s7y h ASP 38 Cb 1.15 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1s7y h ASP 38 CO 0.11 0.88 0.14 0.25 -1.72 0.00 0.00 179.24 178.90 1s7y h LEU 39 N 0.50 0.21 -0.81 1.55 5.85 -1.11 -1.94 115.31 119.56 1s7y h LEU 39 Ca 0.10 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1s7y h LEU 39 Cb 0.56 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1s7y h LEU 39 CO 0.03 0.16 0.51 0.25 -0.34 0.00 0.00 178.44 179.05 1s7y h LEU 40 N 0.29 0.84 -0.39 2.25 5.85 -1.10 -0.58 115.31 122.47 1s7y h LEU 40 Ca 0.11 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1s7y h LEU 40 Cb 0.02 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1s7y h LEU 40 CO -0.07 0.57 0.24 -0.09 -0.34 0.00 0.00 178.44 178.74 1s7y h ARG 41 N 0.98 0.53 -0.74 1.25 2.43 -1.00 -1.19 114.38 116.63 1s7y h ARG 41 Ca 0.33 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1s7y h ARG 41 Cb 0.05 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1s7y h ARG 41 CO -0.13 0.39 0.46 0.93 -1.51 0.00 0.00 179.97 180.11 1s7y h GLU 42 N 0.51 1.00 -0.31 0.20 4.39 -0.80 -2.47 114.58 117.10 1s7y h GLU 42 Ca 0.14 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1s7y h GLU 42 Cb -0.01 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1s7y h GLU 42 CO -0.03 0.69 0.20 -0.07 -1.16 0.00 0.00 179.01 178.64 1s7y h LEU 43 N 1.01 0.37 -1.38 1.33 3.38 -0.76 -1.79 115.31 117.47 1s7y h LEU 43 Ca 0.27 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1s7y h LEU 43 Cb -0.06 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1s7y h LEU 43 CO -0.05 0.29 0.45 0.77 0.09 0.00 0.00 178.44 179.99 1s7y h SER 44 N 0.41 0.70 0.59 -0.43 4.64 -0.79 -0.55 113.55 118.11 1s7y h SER 44 Ca 0.11 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 61.14 1s7y h SER 44 Cb -0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1s7y h SER 44 CO -0.02 0.48 -1.38 0.71 -0.87 0.00 0.00 176.83 175.75 1s7y h THR 45 N 0.81 1.32 -0.40 2.95 1.35 -1.29 -0.21 112.91 117.43 1s7y h THR 45 Ca 0.28 -2.96 -0.15 0.00 -0.55 0.00 0.00 66.41 63.02 1s7y h THR 45 Cb 0.09 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1s7y h THR 45 CO -0.08 0.84 -0.35 0.40 -0.25 0.00 0.00 175.52 176.08 1s7y h ILE 46 N 0.06 1.27 0.00 6.82 2.04 -1.11 -3.29 117.51 123.30 1s7y h ILE 46 Ca -0.18 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1s7y h ILE 46 Cb 1.97 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1s7y h ILE 46 CO 0.16 0.51 -0.99 0.18 0.00 0.00 0.00 178.15 178.01 1s7y n LEU 47 N -4.07 0.82 -2.07 1.44 4.77 -0.24 -5.03 117.00 112.63 1s7y n LEU 47 Ca -0.02 -0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 55.56 1s7y n LEU 47 Cb 0.53 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1s7y n LEU 47 CO 0.48 0.20 0.01 0.61 -1.33 0.00 0.00 177.39 177.36 1s7y n GLY 48 N 1.47 0.23 3.09 -0.72 0.00 -0.22 -5.05 105.19 103.99 1s7y n GLY 48 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1s7y n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s7y s PHE 49 N -3.13 0.35 0.29 1.61 -0.12 -0.45 -5.04 117.98 111.50 1s7y s PHE 49 Ca 0.15 -0.77 0.07 0.00 -0.05 0.00 0.00 56.93 56.33 1s7y s PHE 49 Cb -0.02 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.08 1s7y s PHE 49 CO 0.24 -0.35 0.26 0.95 -0.05 0.00 0.00 175.22 176.27 1s7y s THR 50 N -3.09 4.05 0.23 -4.49 -4.23 -1.26 -4.64 115.64 102.21 1s7y s THR 50 Ca -0.01 -1.36 -0.21 0.00 -1.18 0.00 0.00 61.69 58.94 1s7y s THR 50 Cb 0.02 -3.32 0.04 0.00 1.34 0.00 0.00 72.50 70.57 1s7y s THR 50 CO -0.07 -0.26 0.65 -0.72 -0.54 0.00 0.00 174.62 173.68 1s7y s TYR 51 N -2.21 -0.28 -0.02 3.99 -0.85 -1.26 -0.45 117.35 116.28 1s7y s TYR 51 Ca 0.37 -0.09 0.03 0.00 -0.52 0.00 0.00 57.07 56.87 1s7y s TYR 51 Cb -0.07 0.61 -0.00 0.00 0.38 0.00 0.00 41.96 42.88 1s7y s TYR 51 CO 0.26 -1.08 -0.12 -1.21 -1.52 0.00 0.00 175.55 171.88 1s7y s GLU 52 N -3.86 1.12 -0.06 -3.49 2.02 -0.07 -4.87 118.70 109.49 1s7y s GLU 52 Ca 0.08 -0.43 -0.18 0.00 0.02 0.00 0.00 54.97 54.46 1s7y s GLU 52 Cb -0.04 -1.04 -0.05 0.00 0.10 0.00 0.00 34.13 33.10 1s7y s GLU 52 CO -0.00 0.21 0.50 0.42 0.02 0.00 0.00 175.26 176.41 1s7y s ILE 53 N -0.08 5.07 -0.03 -1.63 1.01 -1.26 -0.87 121.20 123.40 1s7y s ILE 53 Ca 0.01 1.02 0.05 0.00 0.00 0.00 0.00 60.65 61.73 1s7y s ILE 53 Cb -0.07 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1s7y s ILE 53 CO 0.00 0.41 -0.17 -0.60 0.00 0.00 0.00 174.94 174.58 1s7y s ARG 54 N 0.02 1.55 -0.17 2.79 3.52 0.34 -4.93 118.95 122.07 1s7y s ARG 54 Ca 0.27 -0.61 -0.18 0.00 -0.13 0.00 0.00 55.73 55.09 1s7y s ARG 54 Cb -0.16 -1.43 -0.04 0.00 -1.56 0.00 0.00 34.95 31.76 1s7y s ARG 54 CO 0.13 0.31 0.48 -0.51 -0.81 0.00 0.00 175.30 174.91 1s7y s LEU 55 N -0.20 4.20 -0.33 -0.88 1.43 -1.26 -1.18 118.68 120.45 1s7y s LEU 55 Ca 0.02 0.70 -0.42 0.00 -1.03 0.00 0.00 54.13 53.40 1s7y s LEU 55 Cb -0.09 -2.67 -0.17 0.00 0.03 0.00 0.00 46.19 43.29 1s7y s LEU 55 CO 0.01 -0.10 1.71 0.55 0.23 0.00 0.00 176.35 178.75 1s7y n VAL 56 N 4.18 0.23 -0.01 -1.59 3.14 0.11 -4.83 118.33 119.56 1s7y n VAL 56 Ca -0.06 -0.04 0.03 0.00 -2.96 0.00 0.00 64.34 61.31 1s7y n VAL 56 Cb 0.51 -1.04 0.41 0.00 -1.06 0.00 0.00 33.84 32.65 1s7y n VAL 56 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1s7y h GLU 57 N 6.66 0.56 -0.30 1.45 5.08 -1.93 -2.04 114.58 124.06 1s7y h GLU 57 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1s7y h GLU 57 Cb 1.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1s7y h GLU 57 CO 0.96 0.38 0.00 -0.40 -1.00 0.00 0.00 179.01 178.96 1s7y n ASP 58 N -4.46 2.15 -1.37 1.42 5.68 -1.26 -4.94 116.55 113.77 1s7y n ASP 58 Ca 0.03 -1.86 -0.18 0.00 -0.50 0.00 0.00 54.79 52.28 1s7y n ASP 58 Cb 0.07 -0.20 -0.08 0.00 -1.14 0.00 0.00 41.12 39.78 1s7y n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s7y n GLY 59 N 1.20 1.75 3.61 6.12 0.00 -0.77 -4.95 105.19 112.15 1s7y n GLY 59 Ca 0.16 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1s7y n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s7y s LYS 60 N -3.50 2.16 -0.11 1.61 1.02 -1.26 -5.02 119.74 114.63 1s7y s LYS 60 Ca 0.00 -1.49 -0.09 0.00 0.02 0.00 0.00 55.97 54.41 1s7y s LYS 60 Cb 0.00 -2.08 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 1s7y s LYS 60 CO 0.00 0.36 0.25 1.88 -0.92 0.00 0.00 175.35 176.92 1s7y h TYR 61 N 1.98 -0.01 0.00 3.18 -1.99 -1.88 -2.45 116.97 115.80 1s7y h TYR 61 Ca -0.43 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1s7y h TYR 61 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1s7y h TYR 61 CO 0.71 0.29 0.00 0.41 -0.00 0.00 0.00 178.16 179.57 1s7y n GLY 62 N 1.68 3.29 3.28 3.88 0.00 -0.61 -1.62 105.19 115.09 1s7y n GLY 62 Ca -0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1s7y n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7y s ALA 63 N 0.00 -0.55 -0.11 4.61 0.00 -1.24 -4.50 121.76 119.97 1s7y s ALA 63 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.41 1s7y s ALA 63 Cb 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1s7y s ALA 63 CO 0.00 -0.60 0.48 -1.14 0.00 0.00 0.00 175.76 174.50 1s7y s GLN 64 N -3.85 4.32 0.20 0.00 0.74 -1.26 -2.47 119.66 117.35 1s7y s GLN 64 Ca 0.05 0.46 -0.31 0.00 0.05 0.00 0.00 55.36 55.62 1s7y s GLN 64 Cb 0.03 -3.42 -0.10 0.00 1.10 0.00 0.00 33.01 30.62 1s7y s GLN 64 CO -0.10 0.19 1.51 0.34 -0.55 0.00 0.00 175.29 176.68 1s7y s ASP 65 N 0.52 6.61 0.40 6.67 -1.08 0.27 -4.90 116.67 125.16 1s7y s ASP 65 Ca 0.26 2.64 0.08 0.00 -0.52 0.00 0.00 52.55 55.01 1s7y s ASP 65 Cb -0.15 -2.61 0.81 0.00 -1.46 0.00 0.00 42.92 39.51 1s7y s ASP 65 CO 0.11 -0.77 1.99 0.44 0.52 0.00 0.00 175.17 177.46 1s7y h ASP 66 N 5.99 0.39 0.00 -0.34 3.32 -1.96 0.30 116.42 124.12 1s7y h ASP 66 Ca -0.44 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1s7y h ASP 66 Cb 1.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1s7y h ASP 66 CO 0.85 0.38 -0.00 0.58 -1.72 0.00 0.00 179.24 179.32 1s7y h VAL 67 N 0.44 0.00 -0.28 -1.35 2.07 -1.98 -3.41 116.25 111.74 1s7y h VAL 67 Ca 0.11 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1s7y h VAL 67 Cb 0.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1s7y h VAL 67 CO -0.01 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.12 1s7y n ASN 68 N -2.89 2.84 -0.15 0.57 0.23 -1.25 -4.97 115.26 109.64 1s7y n ASN 68 Ca -0.00 -1.90 -0.02 0.00 -0.53 0.00 0.00 54.58 52.13 1s7y n ASN 68 Cb 0.00 -0.18 -0.01 0.00 -2.08 0.00 0.00 39.78 37.52 1s7y n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s7y n GLY 69 N 1.37 0.25 3.80 4.83 0.00 0.10 -4.94 105.19 110.60 1s7y n GLY 69 Ca 0.18 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1s7y n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s7y s GLN 70 N -1.91 4.37 0.53 1.61 -1.52 -1.26 -4.46 119.66 117.02 1s7y s GLN 70 Ca 0.00 1.13 -0.06 0.00 -1.95 0.00 0.00 55.36 54.48 1s7y s GLN 70 Cb 0.00 -2.61 -0.02 0.00 -0.22 0.00 0.00 33.01 30.16 1s7y s GLN 70 CO 0.00 0.20 0.84 -1.58 -0.25 0.00 0.00 175.29 174.50 1s7y s TRP 71 N -1.79 3.43 0.04 0.91 0.52 -1.26 -0.56 118.94 120.23 1s7y s TRP 71 Ca 0.53 0.75 0.00 0.00 0.02 0.00 0.00 56.10 57.40 1s7y s TRP 71 Cb -0.15 -2.49 -0.00 0.00 -1.15 0.00 0.00 33.47 29.68 1s7y s TRP 71 CO 0.20 -0.51 0.02 0.27 0.02 0.00 0.00 176.95 176.94 1s7y n ASN 72 N -2.40 0.68 0.00 2.95 0.23 -1.03 -4.71 115.26 110.97 1s7y n ASN 72 Ca 0.02 -1.21 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 1s7y n ASN 72 Cb 0.56 0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.38 1s7y n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s7y n GLY 73 N 1.45 0.75 0.29 4.83 0.00 -1.26 -2.10 105.19 109.14 1s7y n GLY 73 Ca -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 1s7y n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1s7y h MET 74 N 0.00 0.76 -0.49 1.61 2.86 -0.79 -2.22 114.93 116.67 1s7y h MET 74 Ca 0.00 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1s7y h MET 74 Cb 0.00 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1s7y h MET 74 CO 0.00 0.72 0.22 0.28 1.06 0.00 0.00 176.91 179.19 1s7y h VAL 75 N 0.73 0.91 -0.27 -2.22 2.07 -1.58 -1.71 116.25 114.19 1s7y h VAL 75 Ca 0.16 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 1s7y h VAL 75 Cb 0.33 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1s7y h VAL 75 CO 0.01 0.08 -0.33 -0.09 0.02 0.00 0.00 177.57 177.26 1s7y h ARG 76 N 0.43 0.57 -0.26 1.57 9.65 -1.08 -1.92 114.38 123.34 1s7y h ARG 76 Ca 0.22 -0.26 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 1s7y h ARG 76 Cb 0.17 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1s7y h ARG 76 CO -0.18 0.83 -0.06 0.93 2.80 0.00 0.00 179.97 184.29 1s7y h GLU 77 N 0.49 0.41 -0.09 0.20 5.08 -0.79 -0.90 114.58 118.98 1s7y h GLU 77 Ca 0.06 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1s7y h GLU 77 Cb 0.81 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1s7y h GLU 77 CO 0.07 0.49 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.41 1s7y h LEU 78 N 0.40 0.23 -0.68 1.33 3.38 -1.04 0.20 115.31 119.13 1s7y h LEU 78 Ca 0.08 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.67 1s7y h LEU 78 Cb 0.36 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 1s7y h LEU 78 CO 0.02 0.66 0.31 0.40 0.09 0.00 0.00 178.44 179.92 1s7y h ILE 79 N -0.20 0.81 -0.17 1.22 2.04 -1.08 -0.85 117.51 119.29 1s7y h ILE 79 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1s7y h ILE 79 Cb 0.59 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1s7y h ILE 79 CO 0.02 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.74 1s7y n ASP 80 N -4.91 1.06 -3.41 1.72 8.00 -0.37 -4.91 116.55 113.73 1s7y n ASP 80 Ca 0.10 -1.86 -0.25 0.00 0.71 0.00 0.00 54.79 53.49 1s7y n ASP 80 Cb 0.28 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1s7y n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1s7y n HIS 81 N 0.02 -2.28 0.95 1.24 8.25 -0.32 -4.85 115.22 118.23 1s7y n HIS 81 Ca 0.10 0.73 0.12 0.00 -0.26 0.00 0.00 57.72 58.41 1s7y n HIS 81 Cb 0.19 -4.34 0.25 0.00 1.12 0.00 0.00 29.99 27.21 1s7y n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1s7y n LYS 82 N -4.40 0.03 -3.88 -0.41 5.02 0.65 -4.87 118.16 110.31 1s7y n LYS 82 Ca -0.03 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1s7y n LYS 82 Cb 0.57 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 1s7y n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s7y s ALA 83 N -3.02 -0.26 -0.08 7.82 0.00 -1.20 -4.95 121.76 120.07 1s7y s ALA 83 Ca 0.11 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1s7y s ALA 83 Cb 0.17 0.20 -0.24 0.00 0.00 0.00 0.00 23.12 23.25 1s7y s ALA 83 CO 0.70 -0.29 0.52 -0.25 0.00 0.00 0.00 175.76 176.44 1s7y n ASP 84 N 1.01 1.44 -4.01 0.00 8.00 0.56 -4.66 116.55 118.88 1s7y n ASP 84 Ca -0.20 0.32 -0.08 0.00 0.71 0.00 0.00 54.79 55.53 1s7y n ASP 84 Cb 0.57 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 1s7y n ASP 84 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s7y s LEU 85 N -6.52 2.21 -0.22 0.64 1.43 -1.14 -4.24 118.68 110.84 1s7y s LEU 85 Ca -0.13 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1s7y s LEU 85 Cb 0.07 0.30 0.05 0.00 0.03 0.00 0.00 46.19 46.65 1s7y s LEU 85 CO 0.80 -0.50 -0.08 0.00 0.23 0.00 0.00 176.35 176.80 1s7y s ALA 86 N -2.89 2.05 -0.34 4.21 0.00 -0.41 -0.67 121.76 123.70 1s7y s ALA 86 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1s7y s ALA 86 Cb 0.00 -1.38 0.09 0.00 0.00 0.00 0.00 23.12 21.83 1s7y s ALA 86 CO -0.06 -1.03 0.06 0.08 0.00 0.00 0.00 175.76 174.81 1s7y s VAL 87 N 1.36 2.73 0.18 0.00 1.01 -0.78 -1.74 120.40 123.16 1s7y s VAL 87 Ca -0.04 -1.94 -0.17 0.00 0.00 0.00 0.00 61.98 59.83 1s7y s VAL 87 Cb -0.18 -2.81 0.06 0.00 0.00 0.00 0.00 36.38 33.45 1s7y s VAL 87 CO -0.07 -0.44 0.81 0.00 0.00 0.00 0.00 175.10 175.41 1s7y n ALA 88 N 4.46 -2.07 -1.53 5.51 0.00 -1.26 -4.59 120.51 121.03 1s7y n ALA 88 Ca -0.04 -0.88 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 1s7y n ALA 88 Cb 0.42 0.53 -0.01 0.00 0.00 0.00 0.00 19.45 20.39 1s7y n ALA 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s7y n PRO 89 N -0.57 2.83 -3.29 0.00 -0.04 -1.26 -4.69 135.00 127.98 1s7y n PRO 89 Ca -0.03 -2.37 -0.42 0.00 -0.04 0.00 0.00 63.50 60.64 1s7y n PRO 89 Cb 0.48 -3.11 -0.08 0.00 -0.04 0.00 0.00 33.50 30.75 1s7y n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1s7y s LEU 90 N 1.56 4.62 0.24 1.53 2.96 -1.26 -5.02 118.68 123.30 1s7y s LEU 90 Ca 0.53 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.74 1s7y s LEU 90 Cb 0.15 -2.47 -0.10 0.00 0.50 0.00 0.00 46.19 44.27 1s7y s LEU 90 CO -0.06 -0.54 1.46 0.00 -1.32 0.00 0.00 176.35 175.90 1s7y s ALA 91 N 2.26 3.65 -0.34 5.97 0.00 -1.26 -1.88 121.76 130.15 1s7y s ALA 91 Ca 0.15 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.19 1s7y s ALA 91 Cb -0.16 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1s7y s ALA 91 CO 0.14 -0.75 0.90 0.42 0.00 0.00 0.00 175.76 176.47 1s7y s ILE 92 N 0.13 4.64 0.13 0.00 1.01 0.23 -4.88 121.20 122.47 1s7y s ILE 92 Ca 0.61 1.26 0.05 0.00 0.00 0.00 0.00 60.65 62.57 1s7y s ILE 92 Cb -0.42 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.72 1s7y s ILE 92 CO 0.42 -0.44 -0.12 0.42 0.00 0.00 0.00 174.94 175.22 1s7y s THR 93 N 3.33 1.20 0.15 2.92 -4.23 -1.26 -4.55 115.64 113.21 1s7y s THR 93 Ca 0.37 -1.83 -0.16 0.00 -1.18 0.00 0.00 61.69 58.89 1s7y s THR 93 Cb -0.13 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.11 1s7y s THR 93 CO 0.16 -0.56 1.79 0.22 -0.54 0.00 0.00 174.62 175.69 1s7y h TYR 94 N 3.26 0.40 -0.31 3.99 3.20 -1.99 -0.63 116.97 124.88 1s7y h TYR 94 Ca -0.38 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.46 1s7y h TYR 94 Cb 1.19 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 1s7y h TYR 94 CO 0.65 0.23 -0.01 -0.39 -1.64 0.00 0.00 178.16 177.00 1s7y h VAL 95 N 0.43 1.19 -0.01 1.81 -1.51 -2.01 -2.58 116.25 113.57 1s7y h VAL 95 Ca 0.15 -0.76 -0.21 0.00 -1.23 0.00 0.00 66.70 64.66 1s7y h VAL 95 Cb 0.01 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 30.14 1s7y h VAL 95 CO -0.07 0.26 -0.89 0.03 -1.23 0.00 0.00 177.57 175.67 1s7y h ARG 96 N 0.46 0.31 0.00 5.19 3.08 -1.86 -3.06 114.38 118.50 1s7y h ARG 96 Ca 0.10 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1s7y h ARG 96 Cb 0.32 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1s7y h ARG 96 CO 0.01 1.02 0.00 0.93 -1.07 0.00 0.00 179.97 180.86 1s7y h GLU 97 N 0.18 0.00 0.00 0.04 5.08 -0.71 -0.57 114.58 118.59 1s7y h GLU 97 Ca -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1s7y h GLU 97 Cb 1.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 1s7y h GLU 97 CO 0.15 0.00 -0.08 0.87 -1.00 0.00 0.00 179.01 178.95 1s7y h LYS 98 N 0.00 0.00 0.00 2.33 1.79 -1.42 -3.36 116.57 115.90 1s7y h LYS 98 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1s7y h LYS 98 Cb 0.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1s7y h LYS 98 CO 0.00 0.08 -1.10 1.33 -1.08 0.00 0.00 179.45 178.68 1s7y n VAL 99 N -3.16 0.04 -4.24 0.50 0.24 -0.38 -5.08 118.33 106.26 1s7y n VAL 99 Ca 0.02 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 1s7y n VAL 99 Cb 0.44 0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 1s7y n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1s7y s ILE 100 N -2.10 0.35 0.10 1.34 -4.36 -0.36 -4.22 121.20 111.94 1s7y s ILE 100 Ca -0.01 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 1s7y s ILE 100 Cb 0.01 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 1s7y s ILE 100 CO 0.08 -0.18 0.09 -1.81 0.24 0.00 0.00 174.94 173.35 1s7y s ASP 101 N -3.19 5.54 0.09 4.36 1.01 -0.56 -4.19 116.67 119.73 1s7y s ASP 101 Ca 0.33 -0.03 0.07 0.00 0.71 0.00 0.00 52.55 53.63 1s7y s ASP 101 Cb 0.07 -1.48 -0.03 0.00 1.01 0.00 0.00 42.92 42.49 1s7y s ASP 101 CO 0.09 0.15 -0.19 -0.36 0.21 0.00 0.00 175.17 175.07 1s7y s PHE 102 N -1.46 1.62 0.93 4.23 0.40 -1.26 -0.97 117.98 121.48 1s7y s PHE 102 Ca 0.30 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 56.06 1s7y s PHE 102 Cb -0.12 -0.90 0.19 0.00 0.51 0.00 0.00 43.02 42.70 1s7y s PHE 102 CO 0.22 0.16 1.29 -1.54 0.70 0.00 0.00 175.22 176.05 1s7y s SER 103 N -1.80 3.31 0.81 1.36 1.04 -0.51 -4.96 113.70 112.94 1s7y s SER 103 Ca 0.04 0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.61 1s7y s SER 103 Cb -0.10 -0.34 0.08 0.00 0.10 0.00 0.00 66.02 65.76 1s7y s SER 103 CO 0.03 -2.61 1.10 -0.54 0.98 0.00 0.00 173.24 172.21 1s7y s LYS 104 N -5.81 1.91 0.48 4.02 -0.14 -1.26 -4.59 119.74 114.35 1s7y s LYS 104 Ca 0.73 1.21 -0.24 0.00 -1.36 0.00 0.00 55.97 56.31 1s7y s LYS 104 Cb -0.04 -1.85 -0.07 0.00 -1.68 0.00 0.00 37.83 34.18 1s7y s LYS 104 CO 0.52 -1.90 1.33 -2.14 -0.76 0.00 0.00 175.35 172.40 1s7y s PRO 105 N -4.85 3.57 0.00 -1.68 0.02 -1.26 -4.58 135.00 126.22 1s7y s PRO 105 Ca 0.62 2.19 0.13 0.00 0.02 0.00 0.00 61.00 63.96 1s7y s PRO 105 Cb -0.18 -2.50 0.05 0.00 0.02 0.00 0.00 34.50 31.89 1s7y s PRO 105 CO 0.57 -0.83 0.81 1.97 -0.33 0.00 0.00 177.00 179.19 1s7y n PHE 106 N -0.46 0.00 -3.62 6.54 1.16 -0.08 -4.95 117.46 116.04 1s7y n PHE 106 Ca 0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.53 1s7y n PHE 106 Cb 0.44 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.25 1s7y n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1s7y s MET 107 N -1.33 0.67 0.12 3.97 0.00 -1.25 -5.01 119.30 116.47 1s7y s MET 107 Ca 0.13 0.67 0.07 0.00 0.00 0.00 0.00 55.69 56.55 1s7y s MET 107 Cb 0.10 0.33 -0.04 0.00 0.00 0.00 0.00 34.83 35.22 1s7y s MET 107 CO 0.24 -0.11 -0.07 0.95 0.00 0.00 0.00 175.02 176.03 1s7y s THR 108 N 0.04 3.50 0.00 10.11 -4.23 -1.26 -0.93 115.64 122.87 1s7y s THR 108 Ca 0.00 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1s7y s THR 108 Cb -0.04 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1s7y s THR 108 CO -0.02 0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.13 1s7y n LEU 109 N 0.54 0.00 -3.45 4.79 -0.00 -0.09 -4.88 117.00 113.91 1s7y n LEU 109 Ca -0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.76 1s7y n LEU 109 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.92 1s7y n LEU 109 CO 0.35 0.00 0.46 -0.83 -0.00 0.00 0.00 177.39 177.37 1s7y s GLY 110 N -1.13 -0.58 0.25 1.47 0.00 -1.26 -1.05 107.32 105.01 1s7y s GLY 110 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 1s7y s GLY 110 CO 0.00 0.32 1.09 -0.42 0.00 0.00 0.00 173.10 174.08 1s7y s ILE 111 N -3.24 3.65 0.00 0.90 1.01 -1.24 -0.37 121.20 121.90 1s7y s ILE 111 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1s7y s ILE 111 Cb -0.01 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1s7y s ILE 111 CO -0.09 0.35 0.00 -0.24 0.00 0.00 0.00 174.94 174.96 1s7y n SER 112 N 1.58 0.00 -4.28 3.58 2.88 0.05 0.18 113.62 117.61 1s7y n SER 112 Ca -0.00 -0.92 -0.32 0.00 -1.33 0.00 0.00 58.87 56.31 1s7y n SER 112 Cb 0.45 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.75 1s7y n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1s7y s ILE 113 N -2.34 2.19 -0.14 2.46 1.01 -1.25 -1.79 121.20 121.34 1s7y s ILE 113 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 1s7y s ILE 113 Cb 0.00 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1s7y s ILE 113 CO 0.00 0.57 -0.05 -0.22 0.00 0.00 0.00 174.94 175.23 1s7y s LEU 114 N -0.04 3.19 0.36 2.97 2.96 0.73 0.04 118.68 128.89 1s7y s LEU 114 Ca -0.07 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1s7y s LEU 114 Cb -0.15 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1s7y s LEU 114 CO 0.05 0.19 0.72 -0.47 -1.32 0.00 0.00 176.35 175.52 1s7y s TYR 115 N 0.21 0.23 0.50 5.38 5.04 -0.74 -0.85 117.35 127.12 1s7y s TYR 115 Ca -0.03 -0.80 -0.18 0.00 -2.44 0.00 0.00 57.07 53.62 1s7y s TYR 115 Cb -0.14 0.66 -0.08 0.00 0.35 0.00 0.00 41.96 42.75 1s7y s TYR 115 CO 0.03 -1.44 0.99 1.03 -1.34 0.00 0.00 175.55 174.82 1s7y s ARG 116 N -2.70 3.93 0.43 4.97 0.52 -1.26 -1.19 118.95 123.65 1s7y s ARG 116 Ca 0.17 1.06 -0.03 0.00 -0.52 0.00 0.00 55.73 56.41 1s7y s ARG 116 Cb -0.04 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1s7y s ARG 116 CO 0.12 -0.29 0.70 -1.59 0.02 0.00 0.00 175.30 174.26 1s7y s LYS 117 N -3.79 3.52 0.00 3.54 -2.85 -0.84 -4.36 119.74 114.97 1s7y s LYS 117 Ca 0.61 0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.59 1s7y s LYS 117 Cb -0.11 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 1s7y s LYS 117 CO 0.27 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.05 1s7y n GLY 118 N -2.08 0.71 3.63 0.59 0.00 -1.26 -5.01 105.19 101.76 1s7y n GLY 118 Ca -0.01 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1s7y n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s7y s THR 119 N -2.00 2.25 -2.21 2.61 -4.23 -1.26 -5.03 115.64 105.76 1s7y s THR 119 Ca 0.00 -1.98 0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1s7y s THR 119 Cb 0.00 -2.88 0.76 0.00 1.34 0.00 0.00 72.50 71.72 1s7y s THR 119 CO 0.00 -0.09 2.02 -0.81 -0.54 0.00 0.00 174.62 175.20 1s7y n PRO 120 N -0.98 1.28 -2.50 3.99 -0.04 -1.26 -4.83 135.00 130.66 1s7y n PRO 120 Ca -0.04 -0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 62.59 1s7y n PRO 120 Cb 0.65 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1s7y n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1s7y s ILE 121 N -2.00 4.38 0.00 0.52 -1.09 -1.26 -4.89 121.20 116.86 1s7y s ILE 121 Ca 0.44 1.68 0.00 0.00 -2.23 0.00 0.00 60.65 60.54 1s7y s ILE 121 Cb 0.22 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1s7y s ILE 121 CO 0.35 -0.04 0.21 -0.67 -1.23 0.00 0.00 174.94 173.57 1s7y n ASP 122 N 5.53 0.43 -3.42 3.58 2.03 -1.26 -4.93 116.55 118.51 1s7y n ASP 122 Ca 0.11 -0.79 -0.05 0.00 0.52 0.00 0.00 54.79 54.58 1s7y n ASP 122 Cb 0.46 0.18 0.01 0.00 -0.72 0.00 0.00 41.12 41.05 1s7y n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1s7y s SER 123 N -0.18 -0.06 0.38 1.67 1.04 -1.26 -3.35 113.70 111.93 1s7y s SER 123 Ca 0.00 -0.69 0.11 0.00 0.48 0.00 0.00 55.95 55.85 1s7y s SER 123 Cb 0.00 0.58 0.75 0.00 0.10 0.00 0.00 66.02 67.45 1s7y s SER 123 CO 0.00 -1.13 1.86 0.00 0.98 0.00 0.00 173.24 174.95 1s7y h ALA 124 N 2.00 1.44 -0.64 5.32 0.00 -1.98 -2.30 119.26 123.10 1s7y h ALA 124 Ca -0.27 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1s7y h ALA 124 Cb 1.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1s7y h ALA 124 CO 0.33 0.41 0.11 -0.44 0.00 0.00 0.00 179.25 179.66 1s7y h ASP 125 N 0.10 0.98 -0.01 0.00 3.32 -1.97 0.54 116.42 119.39 1s7y h ASP 125 Ca 0.02 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 1s7y h ASP 125 Cb 0.54 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1s7y h ASP 125 CO 0.04 0.97 -0.06 0.44 -1.72 0.00 0.00 179.24 178.91 1s7y h ASP 126 N 0.97 0.16 0.08 6.45 3.32 -1.80 -1.75 116.42 123.85 1s7y h ASP 126 Ca 0.20 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 1s7y h ASP 126 Cb 0.40 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.93 1s7y h ASP 126 CO 0.01 0.25 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.09 1s7y h LEU 127 N 0.17 0.41 -1.74 1.55 3.38 -1.25 -3.34 115.31 114.49 1s7y h LEU 127 Ca 0.04 -0.90 -0.03 0.00 0.09 0.00 0.00 57.88 57.08 1s7y h LEU 127 Cb 0.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1s7y h LEU 127 CO 0.01 1.27 -0.16 0.00 0.09 0.00 0.00 178.44 179.65 1s7y h ALA 128 N 0.15 1.27 -0.16 1.53 0.00 -0.72 -2.88 119.26 118.45 1s7y h ALA 128 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1s7y h ALA 128 Cb 1.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1s7y h ALA 128 CO 0.12 0.20 0.00 0.36 0.00 0.00 0.00 179.25 179.93 1s7y n LYS 129 N -3.67 1.44 -3.91 0.00 2.85 -0.67 -4.84 118.16 109.36 1s7y n LYS 129 Ca -0.02 -0.68 -0.10 0.00 -1.05 0.00 0.00 58.31 56.46 1s7y n LYS 129 Cb 0.28 -1.22 -0.10 0.00 -0.65 0.00 0.00 35.03 33.33 1s7y n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1s7y s GLN 130 N -1.79 0.41 0.00 -1.58 1.03 -1.09 -5.05 119.66 111.60 1s7y s GLN 130 Ca 0.19 -0.45 0.10 0.00 0.04 0.00 0.00 55.36 55.24 1s7y s GLN 130 Cb 0.10 0.17 0.13 0.00 0.03 0.00 0.00 33.01 33.43 1s7y s GLN 130 CO 0.14 -0.09 0.92 0.25 -2.54 0.00 0.00 175.29 173.97 1s7y n THR 131 N 1.56 0.25 0.07 3.63 -2.24 -1.26 -4.71 114.28 111.57 1s7y n THR 131 Ca -0.23 -0.62 -0.05 0.00 -2.27 0.00 0.00 64.05 60.88 1s7y n THR 131 Cb 0.55 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 1s7y n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s7y h LYS 132 N 1.94 -0.26 -6.32 -0.78 3.64 -1.97 -3.43 116.57 109.39 1s7y h LYS 132 Ca 0.00 0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.85 1s7y h LYS 132 Cb 0.49 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1s7y h LYS 132 CO 0.00 -0.12 0.82 0.42 -2.27 0.00 0.00 179.45 178.31 1s7y s ILE 133 N -2.56 3.94 0.45 2.00 1.01 -1.26 -5.01 121.20 119.77 1s7y s ILE 133 Ca -0.05 1.27 -0.06 0.00 0.00 0.00 0.00 60.65 61.81 1s7y s ILE 133 Cb 0.00 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1s7y s ILE 133 CO 0.17 -0.02 0.75 -1.61 0.00 0.00 0.00 174.94 174.23 1s7y s GLU 134 N 2.61 3.58 0.05 2.79 2.02 -1.04 -4.92 118.70 123.78 1s7y s GLU 134 Ca 0.61 0.19 -0.15 0.00 0.02 0.00 0.00 54.97 55.64 1s7y s GLU 134 Cb -0.28 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.56 1s7y s GLU 134 CO 0.24 -0.13 0.34 1.52 0.02 0.00 0.00 175.26 177.25 1s7y s TYR 135 N -2.61 -0.15 0.00 1.61 -0.85 -1.26 -0.80 117.35 113.29 1s7y s TYR 135 Ca 0.47 0.03 0.00 0.00 -0.52 0.00 0.00 57.07 57.05 1s7y s TYR 135 Cb -0.10 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.37 1s7y s TYR 135 CO 0.41 -0.53 0.00 0.41 -1.52 0.00 0.00 175.55 174.32 1s7y n GLY 136 N 0.52 2.59 3.69 5.49 0.00 -1.02 -4.77 105.19 111.70 1s7y n GLY 136 Ca -0.18 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1s7y n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7y s ALA 137 N -1.00 -0.22 0.01 4.61 0.00 -1.25 -1.14 121.76 122.76 1s7y s ALA 137 Ca 0.00 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1s7y s ALA 137 Cb 0.00 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 1s7y s ALA 137 CO 0.00 -0.91 1.23 0.08 0.00 0.00 0.00 175.76 176.16 1s7y s VAL 138 N -2.81 4.07 0.34 0.00 1.01 -1.26 -1.31 120.40 120.45 1s7y s VAL 138 Ca 0.21 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.35 1s7y s VAL 138 Cb -0.03 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1s7y s VAL 138 CO 0.14 0.05 1.36 -0.70 0.00 0.00 0.00 175.10 175.95 1s7y s GLU 139 N 1.71 4.28 -1.61 2.72 2.12 0.45 -3.11 118.70 125.26 1s7y s GLU 139 Ca 0.58 2.32 -0.02 0.00 0.36 0.00 0.00 54.97 58.21 1s7y s GLU 139 Cb -0.28 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1s7y s GLU 139 CO 0.26 -0.29 0.26 -0.25 -0.54 0.00 0.00 175.26 174.70 1s7y n ASP 140 N 0.71 -5.80 -4.77 -1.70 8.00 -1.26 -4.81 116.55 106.92 1s7y n ASP 140 Ca 0.00 -0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.06 1s7y n ASP 140 Cb 0.41 -4.74 -0.07 0.00 -0.02 0.00 0.00 41.12 36.71 1s7y n ASP 140 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1s7y s GLY 141 N -2.38 2.82 0.24 0.44 0.00 -1.18 -1.58 107.32 105.68 1s7y s GLY 141 Ca 0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1s7y s GLY 141 CO 0.16 -2.13 1.76 0.00 0.00 0.00 0.00 173.10 172.89 1s7y h ALA 142 N 1.29 1.07 -0.11 3.20 0.00 -1.88 -2.47 119.26 120.36 1s7y h ALA 142 Ca -0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 1s7y h ALA 142 Cb 1.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1s7y h ALA 142 CO 0.72 0.61 0.06 1.15 0.00 0.00 0.00 179.25 181.78 1s7y h THR 143 N 0.90 1.11 -0.34 0.00 2.02 -1.95 0.02 112.91 114.66 1s7y h THR 143 Ca 0.19 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 67.11 1s7y h THR 143 Cb 0.37 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1s7y h THR 143 CO 0.01 0.09 0.08 -0.03 0.37 0.00 0.00 175.52 176.04 1s7y h MET 144 N 0.06 0.20 -0.75 6.66 -1.53 -1.72 -2.02 114.93 115.82 1s7y h MET 144 Ca 0.04 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.30 1s7y h MET 144 Cb 0.10 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.07 1s7y h MET 144 CO -0.01 0.13 0.50 1.15 0.14 0.00 0.00 176.91 178.82 1s7y h THR 145 N 0.21 1.16 -0.40 -0.77 2.02 -1.19 -0.37 112.91 113.56 1s7y h THR 145 Ca 0.16 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1s7y h THR 145 Cb 0.16 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1s7y h THR 145 CO -0.19 0.18 0.25 0.15 0.37 0.00 0.00 175.52 176.28 1s7y h PHE 146 N 0.98 0.48 -0.29 3.16 3.57 -0.29 -1.46 116.94 123.09 1s7y h PHE 146 Ca 0.29 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.61 1s7y h PHE 146 Cb -0.05 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1s7y h PHE 146 CO -0.00 0.29 -0.54 0.74 -2.23 0.00 0.00 178.31 176.57 1s7y h PHE 147 N 0.52 1.10 0.00 0.41 -1.00 -0.88 -1.25 116.94 115.84 1s7y h PHE 147 Ca 0.15 -0.39 -0.00 0.00 2.81 0.00 0.00 57.97 60.53 1s7y h PHE 147 Cb -0.03 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.32 1s7y h PHE 147 CO -0.06 1.23 -0.02 -0.22 -1.61 0.00 0.00 178.31 177.63 1s7y h LYS 148 N 0.67 0.00 -0.02 1.51 3.64 -0.89 -2.78 116.57 118.70 1s7y h LYS 148 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1s7y h LYS 148 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1s7y h LYS 148 CO 0.12 0.02 -0.16 1.63 -2.27 0.00 0.00 179.45 178.79 1s7y n LYS 149 N -4.33 1.53 -2.25 1.90 5.02 -0.57 -5.01 118.16 114.45 1s7y n LYS 149 Ca -0.03 -1.22 -0.41 0.00 -2.02 0.00 0.00 58.31 54.63 1s7y n LYS 149 Cb 0.10 -1.32 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1s7y n LYS 149 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1s7y s SER 150 N -1.68 6.96 0.00 4.39 0.15 -0.48 -4.92 113.70 118.11 1s7y s SER 150 Ca 0.17 2.50 0.18 0.00 0.70 0.00 0.00 55.95 59.51 1s7y s SER 150 Cb 0.14 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.93 1s7y s SER 150 CO 0.31 -0.40 1.03 0.29 1.20 0.00 0.00 173.24 175.67 1s7y n LYS 151 N 1.23 1.49 -2.43 5.44 5.02 -1.26 -4.44 118.16 123.20 1s7y n LYS 151 Ca 0.01 -1.45 -0.42 0.00 -2.02 0.00 0.00 58.31 54.43 1s7y n LYS 151 Cb 0.43 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1s7y n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s7y s ILE 152 N -1.55 4.21 0.14 -0.18 1.01 -1.26 -4.90 121.20 118.67 1s7y s ILE 152 Ca 0.20 1.53 -0.28 0.00 0.00 0.00 0.00 60.65 62.10 1s7y s ILE 152 Cb 0.15 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 1s7y s ILE 152 CO 0.25 -0.02 1.49 0.77 0.00 0.00 0.00 174.94 177.44 1s7y h SER 153 N 7.59 -1.96 -0.54 3.58 4.64 -1.98 0.15 113.55 125.03 1s7y h SER 153 Ca -0.33 0.30 0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1s7y h SER 153 Cb 1.16 0.86 -0.08 0.00 -0.31 0.00 0.00 62.40 64.03 1s7y h SER 153 CO 0.89 -0.22 0.10 0.74 -0.87 0.00 0.00 176.83 177.47 1s7y h THR 154 N -0.02 0.67 -0.17 2.95 2.02 -2.00 -1.24 112.91 115.11 1s7y h THR 154 Ca 0.14 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.13 1s7y h THR 154 Cb 0.38 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1s7y h THR 154 CO -0.84 0.04 -0.38 1.88 0.37 0.00 0.00 175.52 176.59 1s7y h TYR 155 N 0.23 0.44 -0.44 3.16 0.99 -1.70 -2.01 116.97 117.65 1s7y h TYR 155 Ca 0.28 -0.12 -0.09 0.00 2.00 0.00 0.00 58.73 60.80 1s7y h TYR 155 Cb 0.40 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 38.01 1s7y h TYR 155 CO -0.25 0.71 -0.10 0.22 -0.00 0.00 0.00 178.16 178.74 1s7y h ASP 156 N 0.32 0.77 1.06 3.88 1.82 0.12 -0.89 116.42 123.49 1s7y h ASP 156 Ca 0.03 -0.23 -0.15 0.00 -0.39 0.00 0.00 57.03 56.29 1s7y h ASP 156 Cb 0.82 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 1s7y h ASP 156 CO 0.07 0.90 -0.71 0.07 -1.61 0.00 0.00 179.24 177.95 1s7y h LYS 157 N 0.71 0.00 -0.32 0.28 2.10 -1.10 -2.55 116.57 115.69 1s7y h LYS 157 Ca 0.12 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.63 1s7y h LYS 157 Cb 0.58 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1s7y h LYS 157 CO 0.04 0.71 -0.37 0.52 -2.00 0.00 0.00 179.45 178.35 1s7y h MET 158 N 0.00 0.74 -0.53 0.07 2.86 -1.01 -2.31 114.93 114.75 1s7y h MET 158 Ca -0.01 -0.37 -0.12 0.00 -2.06 0.00 0.00 59.70 57.14 1s7y h MET 158 Cb 1.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.08 1s7y h MET 158 CO 0.09 0.99 -0.14 2.35 1.06 0.00 0.00 176.91 181.26 1s7y h TRP 159 N 0.62 1.16 -0.95 -0.22 2.91 -1.12 -1.03 115.95 117.32 1s7y h TRP 159 Ca 0.06 -0.25 0.07 0.00 1.13 0.00 0.00 58.89 59.90 1s7y h TRP 159 Cb 0.91 -0.28 -0.07 0.00 -0.51 0.00 0.00 29.16 29.21 1s7y h TRP 159 CO 0.05 1.08 0.60 0.00 -1.03 0.00 0.00 178.44 179.14 1s7y h ALA 160 N 0.92 1.33 0.35 2.65 0.00 -1.26 0.25 119.26 123.49 1s7y h ALA 160 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s7y h ALA 160 Cb 0.72 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s7y h ALA 160 CO 0.06 0.36 -0.17 0.35 0.00 0.00 0.00 179.25 179.84 1s7y h PHE 161 N 1.08 -0.43 -0.30 0.00 3.57 -1.08 -1.78 116.94 118.00 1s7y h PHE 161 Ca 0.42 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.94 1s7y h PHE 161 Cb 0.21 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1s7y h PHE 161 CO -0.01 -0.12 0.11 0.52 -2.23 0.00 0.00 178.31 176.57 1s7y h MET 162 N -0.73 0.24 -0.81 1.11 2.86 -0.77 -2.63 114.93 114.19 1s7y h MET 162 Ca -0.05 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1s7y h MET 162 Cb 0.50 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 1s7y h MET 162 CO 0.08 0.16 0.51 1.03 1.06 0.00 0.00 176.91 179.74 1s7y h SER 163 N 0.25 0.81 0.75 1.22 0.87 -0.55 0.26 113.55 117.15 1s7y h SER 163 Ca 0.13 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1s7y h SER 163 Cb 0.10 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1s7y h SER 163 CO -0.13 0.53 0.00 -1.54 -0.53 0.00 0.00 176.83 175.16 1s7y n SER 164 N -4.63 0.61 -0.95 6.23 3.41 -0.67 -2.90 113.62 114.72 1s7y n SER 164 Ca 0.11 0.65 0.05 0.00 -0.26 0.00 0.00 58.87 59.41 1s7y n SER 164 Cb 0.14 -0.78 0.08 0.00 -0.26 0.00 0.00 64.21 63.40 1s7y n SER 164 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s7y n ARG 165 N -2.17 0.58 -0.32 4.33 1.74 -0.67 -4.96 116.66 115.19 1s7y n ARG 165 Ca 0.02 -2.28 -0.01 0.00 -0.77 0.00 0.00 57.85 54.82 1s7y n ARG 165 Cb 0.24 -0.69 0.03 0.00 -1.02 0.00 0.00 32.46 31.02 1s7y n ARG 165 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1s7y n ARG 166 N -0.23 -0.20 0.23 5.56 0.63 0.82 -0.58 116.66 122.88 1s7y n ARG 166 Ca 0.10 1.29 0.06 0.00 -0.92 0.00 0.00 57.85 58.38 1s7y n ARG 166 Cb 0.90 -1.92 0.52 0.00 0.45 0.00 0.00 32.46 32.42 1s7y n ARG 166 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1s7y h GLN 167 N 0.00 0.00 0.00 -0.14 1.08 -1.88 -1.84 115.11 112.33 1s7y h GLN 167 Ca 0.29 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.26 1s7y h GLN 167 Cb 0.50 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.89 1s7y h GLN 167 CO -0.83 0.21 -1.48 0.77 -0.95 0.00 0.00 178.83 176.55 1s7y h SER 168 N 0.00 0.00 0.00 1.46 0.02 -1.22 -3.42 113.55 110.39 1s7y h SER 168 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1s7y h SER 168 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1s7y h SER 168 CO 0.03 0.79 -1.45 1.33 -1.14 0.00 0.00 176.83 176.40 1s7y n VAL 169 N -3.01 0.13 -3.12 2.27 0.24 -0.59 -4.97 118.33 109.28 1s7y n VAL 169 Ca -0.12 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.34 61.55 1s7y n VAL 169 Cb 0.94 0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 1s7y n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1s7y s LEU 170 N -3.85 4.55 0.37 1.34 1.43 -0.70 -3.77 118.68 118.05 1s7y s LEU 170 Ca -0.03 1.45 0.08 0.00 -1.03 0.00 0.00 54.13 54.60 1s7y s LEU 170 Cb 0.05 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 1s7y s LEU 170 CO 0.36 0.22 0.01 0.68 0.23 0.00 0.00 176.35 177.85 1s7y s VAL 171 N -1.01 2.34 -0.72 -1.59 -7.23 -0.43 -4.82 120.40 106.93 1s7y s VAL 171 Ca 0.33 -2.00 0.26 0.00 -1.81 0.00 0.00 61.98 58.75 1s7y s VAL 171 Cb -0.21 -2.83 0.26 0.00 0.56 0.00 0.00 36.38 34.16 1s7y s VAL 171 CO 0.22 -0.13 1.72 0.29 -0.31 0.00 0.00 175.10 176.90 1s7y n LYS 172 N -0.95 0.27 -3.53 4.82 4.76 -1.26 -0.42 118.16 121.84 1s7y n LYS 172 Ca -0.04 0.20 -0.10 0.00 -2.87 0.00 0.00 58.31 55.50 1s7y n LYS 172 Cb 0.64 -1.79 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1s7y n LYS 172 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1s7y s SER 173 N -4.49 -0.45 0.29 4.39 1.04 -1.26 -4.85 113.70 108.37 1s7y s SER 173 Ca 0.10 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 1s7y s SER 173 Cb 0.12 0.57 0.41 0.00 0.10 0.00 0.00 66.02 67.23 1s7y s SER 173 CO 0.61 -0.96 1.95 0.78 0.98 0.00 0.00 173.24 176.60 1s7y h ASN 174 N 2.00 0.97 -0.93 7.02 2.35 -1.95 -1.92 115.58 123.12 1s7y h ASN 174 Ca -0.28 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1s7y h ASN 174 Cb 1.28 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 39.36 1s7y h ASN 174 CO 0.33 0.72 0.62 -0.08 -1.65 0.00 0.00 177.43 177.37 1s7y h GLU 175 N 1.14 1.22 -0.51 0.81 4.81 -1.97 0.58 114.58 120.65 1s7y h GLU 175 Ca 0.30 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1s7y h GLU 175 Cb -0.10 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 28.99 1s7y h GLU 175 CO -0.06 0.81 -0.16 1.49 -0.73 0.00 0.00 179.01 180.35 1s7y h GLU 176 N 1.25 1.00 -0.62 1.92 4.81 -1.77 -2.26 114.58 118.90 1s7y h GLU 176 Ca 0.34 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1s7y h GLU 176 Cb -0.13 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1s7y h GLU 176 CO -0.08 1.07 0.29 0.78 -0.73 0.00 0.00 179.01 180.35 1s7y h GLY 177 N 0.91 0.97 1.02 1.92 0.00 -0.60 -1.71 103.07 105.58 1s7y h GLY 177 Ca 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1s7y h GLY 177 CO 0.06 0.46 0.46 -2.22 0.00 0.00 0.00 176.54 175.30 1s7y h ILE 178 N 0.86 1.24 -0.39 2.60 2.04 -0.73 -2.03 117.51 121.09 1s7y h ILE 178 Ca 0.21 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 1s7y h ILE 178 Cb 0.13 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1s7y h ILE 178 CO -0.03 0.26 -0.20 1.56 0.00 0.00 0.00 178.15 179.74 1s7y h GLN 179 N 1.13 0.76 -0.77 2.37 1.08 -1.19 -2.25 115.11 116.24 1s7y h GLN 179 Ca 0.29 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1s7y h GLN 179 Cb 0.01 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.36 1s7y h GLN 179 CO -0.05 0.90 0.42 -0.09 -0.95 0.00 0.00 178.83 179.06 1s7y h ARG 180 N 0.67 1.06 -0.42 1.46 9.65 -0.88 -1.39 114.38 124.54 1s7y h ARG 180 Ca 0.10 -0.12 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 1s7y h ARG 180 Cb 0.70 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1s7y h ARG 180 CO 0.05 0.78 -0.26 0.28 2.80 0.00 0.00 179.97 183.62 1s7y h VAL 181 N 1.07 1.27 0.00 0.20 2.07 -1.09 -0.82 116.25 118.96 1s7y h VAL 181 Ca 0.27 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1s7y h VAL 181 Cb 0.02 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1s7y h VAL 181 CO -0.04 0.48 0.00 0.18 0.02 0.00 0.00 177.57 178.20 1s7y n LEU 182 N -4.10 0.00 0.00 2.57 4.77 -0.87 -4.00 117.00 115.37 1s7y n LEU 182 Ca -0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1s7y n LEU 182 Cb 0.47 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1s7y n LEU 182 CO 0.46 -0.02 0.05 0.35 -1.33 0.00 0.00 177.39 176.89 1s7y n THR 183 N -1.47 0.00 -4.04 -5.08 -2.24 -0.57 -5.08 114.28 95.80 1s7y n THR 183 Ca 0.08 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1s7y n THR 183 Cb 0.31 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 1s7y n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1s7y s SER 184 N -0.63 0.01 -1.22 3.42 1.04 -0.33 -5.04 113.70 110.94 1s7y s SER 184 Ca 0.00 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.17 1s7y s SER 184 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1s7y s SER 184 CO 0.00 -1.09 1.82 -0.62 0.98 0.00 0.00 173.24 174.33 1s7y s ASP 185 N -3.06 5.94 -0.04 7.02 -1.08 -1.26 -4.60 116.67 119.60 1s7y s ASP 185 Ca 0.26 -1.99 -0.02 0.00 -0.52 0.00 0.00 52.55 50.28 1s7y s ASP 185 Cb 0.01 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1s7y s ASP 185 CO 0.10 -2.11 0.09 -0.47 0.52 0.00 0.00 175.17 173.31 1s7y s TYR 186 N 7.55 -0.09 -0.05 -5.34 5.04 -1.26 -2.50 117.35 120.70 1s7y s TYR 186 Ca 0.61 0.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.51 1s7y s TYR 186 Cb 0.01 -0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.26 1s7y s TYR 186 CO 0.09 -0.08 -0.03 0.00 -1.34 0.00 0.00 175.55 174.19 1s7y s ALA 187 N 0.43 3.14 -0.14 3.97 0.00 0.02 -4.42 121.76 124.77 1s7y s ALA 187 Ca -0.03 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1s7y s ALA 187 Cb -0.05 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1s7y s ALA 187 CO -0.02 0.60 -0.21 0.12 0.00 0.00 0.00 175.76 176.25 1s7y s PHE 188 N -0.93 2.67 -0.38 0.00 5.36 -0.03 -2.42 117.98 122.26 1s7y s PHE 188 Ca 0.15 -1.25 -0.25 0.00 -0.96 0.00 0.00 56.93 54.63 1s7y s PHE 188 Cb -0.11 -1.81 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 1s7y s PHE 188 CO 0.05 -0.56 0.88 -0.51 -1.46 0.00 0.00 175.22 173.62 1s7y s LEU 189 N 0.73 4.04 0.29 6.12 2.01 -0.29 -0.19 118.68 131.39 1s7y s LEU 189 Ca -0.09 0.45 -0.01 0.00 0.01 0.00 0.00 54.13 54.49 1s7y s LEU 189 Cb -0.16 -3.17 -0.02 0.00 0.01 0.00 0.00 46.19 42.85 1s7y s LEU 189 CO 0.00 -0.84 0.33 0.00 1.01 0.00 0.00 176.35 176.85 1s7y s MET 190 N 3.38 1.63 0.17 1.70 0.23 -0.74 -4.52 119.30 121.15 1s7y s MET 190 Ca 0.36 -1.72 -0.30 0.00 -1.03 0.00 0.00 55.69 53.00 1s7y s MET 190 Cb -0.12 0.37 -0.07 0.00 -1.53 0.00 0.00 34.83 33.48 1s7y s MET 190 CO 0.19 -0.63 0.99 -1.21 -2.03 0.00 0.00 175.02 172.34 1s7y s GLU 191 N -3.59 4.72 0.34 3.16 2.02 -1.26 -0.77 118.70 123.31 1s7y s GLU 191 Ca 0.34 1.53 0.09 0.00 0.02 0.00 0.00 54.97 56.96 1s7y s GLU 191 Cb 0.02 -3.32 0.84 0.00 0.10 0.00 0.00 34.13 31.77 1s7y s GLU 191 CO 0.18 0.27 1.81 0.66 0.02 0.00 0.00 175.26 178.20 1s7y h SER 192 N 5.02 0.67 -0.06 -0.19 4.64 -1.03 -0.63 113.55 121.98 1s7y h SER 192 Ca -0.44 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 60.89 1s7y h SER 192 Cb 1.21 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1s7y h SER 192 CO 0.71 0.27 -0.13 0.71 -0.87 0.00 0.00 176.83 177.51 1s7y h THR 193 N 0.67 1.21 0.11 2.95 1.35 -1.90 -1.12 112.91 116.18 1s7y h THR 193 Ca 0.53 -0.93 -0.29 0.00 -0.55 0.00 0.00 66.41 65.18 1s7y h THR 193 Cb 0.94 1.18 0.02 0.00 -1.73 0.00 0.00 68.15 68.56 1s7y h THR 193 CO -0.29 0.30 -1.21 0.74 -0.25 0.00 0.00 175.52 174.80 1s7y h THR 194 N 0.35 1.34 -0.87 6.82 2.02 -1.56 -3.06 112.91 117.95 1s7y h THR 194 Ca 0.07 -2.58 0.03 0.00 0.77 0.00 0.00 66.41 64.70 1s7y h THR 194 Cb 0.44 2.71 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 1s7y h THR 194 CO 0.03 0.77 0.57 0.40 0.37 0.00 0.00 175.52 177.66 1s7y h ILE 195 N 0.23 1.17 -0.57 3.11 2.04 -0.99 -0.63 117.51 121.86 1s7y h ILE 195 Ca -0.17 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.38 1s7y h ILE 195 Cb 1.89 -0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 1s7y h ILE 195 CO 0.22 0.20 0.26 -0.08 0.00 0.00 0.00 178.15 178.75 1s7y h GLU 196 N 1.12 0.47 -0.24 2.37 4.81 -1.22 0.78 114.58 122.66 1s7y h GLU 196 Ca 0.34 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1s7y h GLU 196 Cb -0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1s7y h GLU 196 CO -0.10 0.31 -0.01 0.35 -0.73 0.00 0.00 179.01 178.83 1s7y h PHE 197 N 0.48 0.47 -0.06 0.92 3.57 -1.28 -2.94 116.94 118.10 1s7y h PHE 197 Ca 0.27 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1s7y h PHE 197 Cb 0.25 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1s7y h PHE 197 CO -0.13 0.61 0.03 0.28 -2.23 0.00 0.00 178.31 176.87 1s7y h VAL 198 N 0.19 1.14 0.00 1.41 2.07 -0.58 -3.00 116.25 117.48 1s7y h VAL 198 Ca 0.07 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1s7y h VAL 198 Cb 0.43 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1s7y h VAL 198 CO 0.01 0.12 -0.15 0.71 0.02 0.00 0.00 177.57 178.28 1s7y h THR 199 N -0.06 0.82 0.00 2.57 1.35 -0.95 -1.17 112.91 115.47 1s7y h THR 199 Ca 0.02 -0.58 -0.04 0.00 -0.55 0.00 0.00 66.41 65.26 1s7y h THR 199 Cb 0.17 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1s7y h THR 199 CO -0.00 0.15 -0.19 -0.61 -0.25 0.00 0.00 175.52 174.61 1s7y h GLN 200 N 0.00 0.00 -0.01 4.72 5.75 -1.38 -3.21 115.11 120.99 1s7y h GLN 200 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1s7y h GLN 200 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1s7y h GLN 200 CO 0.02 0.19 -0.14 0.54 -2.65 0.00 0.00 178.83 176.79 1s7y n ARG 201 N -3.43 1.64 -3.60 1.69 1.74 -0.65 -4.81 116.66 109.25 1s7y n ARG 201 Ca -0.00 -0.73 -0.29 0.00 -0.77 0.00 0.00 57.85 56.05 1s7y n ARG 201 Cb 0.38 -1.10 -0.13 0.00 -1.02 0.00 0.00 32.46 30.59 1s7y n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1s7y s ASN 202 N -1.19 3.40 0.04 0.55 3.84 -0.54 -4.99 114.94 116.07 1s7y s ASN 202 Ca 0.09 -2.25 0.03 0.00 0.21 0.00 0.00 52.86 50.94 1s7y s ASN 202 Cb 0.08 -0.71 0.14 0.00 -0.55 0.00 0.00 41.25 40.21 1s7y s ASN 202 CO 0.21 -0.31 1.03 0.00 -2.79 0.00 0.00 177.10 175.23 1s7y n ASN 204 N -1.55 1.39 -4.67 0.00 3.02 -1.26 -4.93 115.26 107.26 1s7y n ASN 204 Ca -0.00 -1.14 -0.24 0.00 -0.03 0.00 0.00 54.58 53.17 1s7y n ASN 204 Cb 0.07 0.22 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 1s7y n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s7y s LEU 205 N -2.44 3.31 0.16 3.41 1.43 -0.23 -1.98 118.68 122.33 1s7y s LEU 205 Ca 0.24 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 1s7y s LEU 205 Cb 0.19 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1s7y s LEU 205 CO 0.51 0.04 0.51 0.28 0.23 0.00 0.00 176.35 177.92 1s7y s THR 206 N -2.04 0.03 0.21 5.49 -1.32 -0.33 -4.78 115.64 112.91 1s7y s THR 206 Ca 0.30 -0.47 -0.25 0.00 -1.21 0.00 0.00 61.69 60.06 1s7y s THR 206 Cb -0.08 -1.26 -0.08 0.00 -1.51 0.00 0.00 72.50 69.57 1s7y s THR 206 CO 0.20 -0.15 0.81 -1.58 -2.21 0.00 0.00 174.62 171.69 1s7y s GLN 207 N -3.81 4.55 -0.23 7.08 0.74 -1.26 -1.79 119.66 124.93 1s7y s GLN 207 Ca 0.04 1.17 -0.05 0.00 0.05 0.00 0.00 55.36 56.58 1s7y s GLN 207 Cb -0.00 -3.11 -0.01 0.00 1.10 0.00 0.00 33.01 30.98 1s7y s GLN 207 CO -0.09 0.48 -0.00 0.42 -0.55 0.00 0.00 175.29 175.55 1s7y s ILE 208 N -1.30 3.65 0.00 -2.34 -1.09 0.11 -4.94 121.20 115.28 1s7y s ILE 208 Ca 0.40 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1s7y s ILE 208 Cb -0.21 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 1s7y s ILE 208 CO 0.26 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 1s7y n GLY 209 N 4.83 -1.34 0.00 6.18 0.00 -1.21 -3.80 105.19 109.85 1s7y n GLY 209 Ca -0.17 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1s7y n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s7y n GLY 210 N 0.00 2.66 3.73 -0.02 0.00 -1.26 -4.91 105.19 105.39 1s7y n GLY 210 Ca 0.00 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1s7y n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s7y s LEU 211 N 0.00 4.36 0.24 0.99 1.02 -1.26 -4.62 118.68 119.41 1s7y s LEU 211 Ca 0.00 1.25 0.13 0.00 0.02 0.00 0.00 54.13 55.53 1s7y s LEU 211 Cb 0.00 -3.10 0.00 0.00 0.02 0.00 0.00 46.19 43.11 1s7y s LEU 211 CO 0.00 -0.07 1.39 0.40 0.02 0.00 0.00 176.35 178.10 1s7y h ILE 212 N 4.56 1.02 -3.47 -0.59 2.04 -0.60 -3.48 117.51 116.99 1s7y h ILE 212 Ca -0.42 -2.45 -0.14 0.00 1.00 0.00 0.00 64.86 62.85 1s7y h ILE 212 Cb 1.20 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 1s7y h ILE 212 CO 0.74 0.58 0.09 1.51 0.00 0.00 0.00 178.15 181.07 1s7y s ASP 213 N -6.49 0.44 -0.04 1.72 -4.77 -1.26 -4.94 116.67 101.34 1s7y s ASP 213 Ca 0.03 -1.34 0.01 0.00 -3.30 0.00 0.00 52.55 47.96 1s7y s ASP 213 Cb 0.08 0.79 0.02 0.00 -1.09 0.00 0.00 42.92 42.72 1s7y s ASP 213 CO 0.76 -1.56 -0.06 -0.55 0.70 0.00 0.00 175.17 174.46 1s7y s SER 214 N -3.16 0.97 0.14 2.11 0.15 -1.26 -3.69 113.70 108.97 1s7y s SER 214 Ca 0.22 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.69 1s7y s SER 214 Cb -0.03 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 1s7y s SER 214 CO 0.16 -0.02 0.26 2.29 1.20 0.00 0.00 173.24 177.13 1s7y n LYS 215 N 3.81 0.37 -3.97 5.44 2.85 -0.22 -4.99 118.16 121.46 1s7y n LYS 215 Ca -0.23 -0.93 -0.09 0.00 -1.05 0.00 0.00 58.31 56.00 1s7y n LYS 215 Cb 0.52 1.05 -0.08 0.00 -0.65 0.00 0.00 35.03 35.87 1s7y n LYS 215 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1s7y s GLY 216 N -1.80 0.45 -0.11 2.58 0.00 -1.26 -0.91 107.32 106.26 1s7y s GLY 216 Ca 0.08 -0.94 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 1s7y s GLY 216 CO 0.06 -0.97 0.15 -0.19 0.00 0.00 0.00 173.10 172.15 1s7y s TYR 217 N -3.94 3.60 0.17 1.90 4.12 -0.10 -0.60 117.35 122.49 1s7y s TYR 217 Ca 0.14 0.53 -0.06 0.00 0.02 0.00 0.00 57.07 57.70 1s7y s TYR 217 Cb 0.05 -1.94 -0.02 0.00 -1.52 0.00 0.00 41.96 38.53 1s7y s TYR 217 CO -0.04 0.73 0.22 0.20 0.02 0.00 0.00 175.55 176.68 1s7y s GLY 218 N -1.08 0.74 0.04 0.71 0.00 -0.79 -0.90 107.32 106.03 1s7y s GLY 218 Ca 0.16 -1.15 -0.28 0.00 0.00 0.00 0.00 44.72 43.44 1s7y s GLY 218 CO 0.05 -1.04 0.91 0.14 0.00 0.00 0.00 173.10 173.16 1s7y s VAL 219 N -4.02 4.74 0.17 1.40 1.01 -1.26 -4.48 120.40 117.96 1s7y s VAL 219 Ca 0.22 1.93 -0.04 0.00 0.00 0.00 0.00 61.98 64.08 1s7y s VAL 219 Cb 0.05 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1s7y s VAL 219 CO 0.03 0.26 0.40 -0.83 0.00 0.00 0.00 175.10 174.95 1s7y s GLY 220 N 0.48 2.14 0.09 4.51 0.00 -0.71 -1.43 107.32 112.40 1s7y s GLY 220 Ca 0.47 -0.59 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 1s7y s GLY 220 CO 0.27 -0.51 0.17 -0.51 0.00 0.00 0.00 173.10 172.52 1s7y s THR 221 N -1.74 0.14 0.55 0.90 -4.23 -0.14 -1.29 115.64 109.84 1s7y s THR 221 Ca 0.41 -1.28 -0.21 0.00 -1.18 0.00 0.00 61.69 59.44 1s7y s THR 221 Cb -0.12 -1.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.26 1s7y s THR 221 CO 0.26 -0.65 1.25 -2.84 -0.54 0.00 0.00 174.62 172.09 1s7y s PRO 222 N -3.88 3.16 0.27 3.99 0.02 -1.26 -1.50 135.00 135.80 1s7y s PRO 222 Ca 0.07 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 1s7y s PRO 222 Cb 0.05 -2.13 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 1s7y s PRO 222 CO -0.10 -1.09 1.30 -0.12 -0.33 0.00 0.00 177.00 176.66 1s7y n MET 223 N -1.20 1.89 -0.76 5.54 1.56 -1.26 -1.68 117.12 121.21 1s7y n MET 223 Ca 0.11 0.67 0.00 0.00 -0.27 0.00 0.00 57.70 58.21 1s7y n MET 223 Cb 0.48 -2.25 0.00 0.00 2.15 0.00 0.00 33.22 33.60 1s7y n MET 223 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1s7y n GLY 224 N 1.62 1.19 3.75 -5.12 0.00 -1.26 -4.97 105.19 100.39 1s7y n GLY 224 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1s7y n GLY 224 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s7y n SER 225 N 0.00 3.91 0.09 1.61 2.88 -0.68 -4.88 113.62 116.56 1s7y n SER 225 Ca 0.00 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.79 1s7y n SER 225 Cb 0.00 -1.60 0.45 0.00 -0.75 0.00 0.00 64.21 62.31 1s7y n SER 225 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1s7y n PRO 226 N 2.33 0.15 0.14 -1.46 -0.04 -1.26 -2.97 135.00 131.89 1s7y n PRO 226 Ca 0.09 0.34 0.01 0.00 -0.04 0.00 0.00 63.50 63.90 1s7y n PRO 226 Cb 0.37 -1.76 0.11 0.00 -0.04 0.00 0.00 33.50 32.18 1s7y n PRO 226 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s7y h TYR 227 N 0.00 0.00 -0.19 0.54 0.05 -1.97 -3.37 116.97 112.04 1s7y h TYR 227 Ca 0.00 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 1s7y h TYR 227 Cb 0.39 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 1s7y h TYR 227 CO 0.00 0.58 -0.14 -0.09 -1.05 0.00 0.00 178.16 177.46 1s7y h ARG 228 N 0.00 -0.13 -0.08 4.88 1.12 -1.93 -0.32 114.38 117.92 1s7y h ARG 228 Ca -0.01 0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.78 1s7y h ARG 228 Cb 1.28 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.26 1s7y h ARG 228 CO 0.07 -0.09 -0.37 -0.44 -3.11 0.00 0.00 179.97 176.04 1s7y h ASP 229 N -0.14 0.17 -0.43 -3.80 3.32 -1.81 -1.89 116.42 111.84 1s7y h ASP 229 Ca 0.11 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1s7y h ASP 229 Cb 0.30 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1s7y h ASP 229 CO -0.27 0.53 -0.07 0.11 -1.72 0.00 0.00 179.24 177.82 1s7y h LYS 230 N 0.14 0.80 -0.48 3.56 1.57 -1.59 -2.36 116.57 118.21 1s7y h LYS 230 Ca 0.02 -0.29 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1s7y h LYS 230 Cb 0.72 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1s7y h LYS 230 CO 0.05 0.91 -0.04 0.82 -0.57 0.00 0.00 179.45 180.62 1s7y h ILE 231 N 0.63 1.25 -0.55 1.86 2.04 -0.86 -1.92 117.51 119.97 1s7y h ILE 231 Ca 0.11 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1s7y h ILE 231 Cb 0.59 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1s7y h ILE 231 CO 0.04 0.38 0.32 0.74 0.00 0.00 0.00 178.15 179.63 1s7y h THR 232 N 0.77 1.17 -0.49 -0.27 2.02 -1.21 0.29 112.91 115.20 1s7y h THR 232 Ca 0.14 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1s7y h THR 232 Cb 0.52 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1s7y h THR 232 CO 0.03 0.18 0.29 0.40 0.37 0.00 0.00 175.52 176.79 1s7y h ILE 233 N 0.74 1.05 -0.15 3.11 2.04 -1.08 -0.50 117.51 122.73 1s7y h ILE 233 Ca 0.20 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1s7y h ILE 233 Cb 0.01 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1s7y h ILE 233 CO -0.03 0.11 0.09 0.00 0.00 0.00 0.00 178.15 178.31 1s7y h ALA 234 N 1.21 0.19 -0.51 1.87 0.00 -0.87 -2.19 119.26 118.96 1s7y h ALA 234 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1s7y h ALA 234 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1s7y h ALA 234 CO -0.08 -0.29 0.31 0.82 0.00 0.00 0.00 179.25 180.01 1s7y h ILE 235 N 0.16 1.15 -0.29 0.00 2.04 -0.71 -1.05 117.51 118.82 1s7y h ILE 235 Ca 0.05 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1s7y h ILE 235 Cb 0.04 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1s7y h ILE 235 CO -0.01 0.15 0.00 -0.07 0.00 0.00 0.00 178.15 178.22 1s7y h LEU 236 N 0.69 0.40 -0.22 1.44 3.38 -1.01 0.22 115.31 120.22 1s7y h LEU 236 Ca 0.18 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1s7y h LEU 236 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1s7y h LEU 236 CO -0.04 0.47 -0.05 -0.61 0.09 0.00 0.00 178.44 178.30 1s7y h GLN 237 N 0.42 0.42 -0.50 1.13 4.15 -0.88 -0.94 115.11 118.92 1s7y h GLN 237 Ca 0.09 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 1s7y h GLN 237 Cb 0.28 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1s7y h GLN 237 CO 0.01 0.66 0.10 -0.07 -1.93 0.00 0.00 178.83 177.60 1s7y h LEU 238 N 0.15 0.71 -0.17 -2.39 3.38 -0.86 -2.01 115.31 114.12 1s7y h LEU 238 Ca 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1s7y h LEU 238 Cb 0.51 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1s7y h LEU 238 CO 0.02 0.72 -0.04 -0.61 0.09 0.00 0.00 178.44 178.62 1s7y h GLN 239 N 0.74 0.33 -0.56 1.13 4.15 -0.81 -0.46 115.11 119.63 1s7y h GLN 239 Ca 0.16 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 1s7y h GLN 239 Cb 0.31 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1s7y h GLN 239 CO 0.00 0.60 0.12 1.49 -1.93 0.00 0.00 178.83 179.12 1s7y h GLU 240 N 0.03 0.86 -0.00 1.69 4.81 -1.01 -2.37 114.58 118.59 1s7y h GLU 240 Ca 0.04 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1s7y h GLU 240 Cb 0.48 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1s7y h GLU 240 CO 0.02 0.78 -0.02 -0.85 -0.73 0.00 0.00 179.01 178.21 1s7y n GLU 241 N -4.26 0.90 -0.82 1.92 0.28 -0.77 -4.90 120.64 112.99 1s7y n GLU 241 Ca 0.04 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 1s7y n GLU 241 Cb 0.24 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.61 1s7y n GLU 241 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1s7y n GLY 242 N 1.12 0.67 0.27 -1.84 0.00 -0.89 -4.95 105.19 99.57 1s7y n GLY 242 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 1s7y n GLY 242 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s7y h LYS 243 N 2.00 0.76 -0.33 1.61 1.63 -1.31 -1.73 116.57 119.19 1s7y h LYS 243 Ca 0.00 -0.26 -0.08 0.00 -0.85 0.00 0.00 60.65 59.46 1s7y h LYS 243 Cb 0.00 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1s7y h LYS 243 CO 0.00 0.86 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.66 1s7y h LEU 244 N 0.68 0.56 -0.39 5.20 3.38 -1.81 -0.22 115.31 122.71 1s7y h LEU 244 Ca 0.11 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1s7y h LEU 244 Cb 0.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1s7y h LEU 244 CO 0.04 0.72 -0.12 -0.74 0.09 0.00 0.00 178.44 178.44 1s7y h HIS 245 N 0.53 0.88 -0.68 1.13 2.76 -1.79 -1.65 115.15 116.32 1s7y h HIS 245 Ca 0.09 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 58.02 1s7y h HIS 245 Cb 0.54 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 1s7y h HIS 245 CO 0.02 0.92 0.24 1.98 -1.30 0.00 0.00 177.93 179.78 1s7y h MET 246 N 0.58 1.03 -0.42 5.26 1.85 -0.98 -1.68 114.93 120.58 1s7y h MET 246 Ca 0.10 -0.19 -0.10 0.00 -0.61 0.00 0.00 59.70 58.89 1s7y h MET 246 Cb 0.65 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1s7y h MET 246 CO 0.04 0.86 -0.15 0.52 -0.40 0.00 0.00 176.91 177.79 1s7y h MET 247 N 1.00 0.78 -0.07 0.39 2.07 -0.81 -1.48 114.93 116.81 1s7y h MET 247 Ca 0.23 -0.27 -0.01 0.00 -2.07 0.00 0.00 59.70 57.57 1s7y h MET 247 Cb 0.25 -0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1s7y h MET 247 CO -0.01 0.88 0.01 -0.22 1.07 0.00 0.00 176.91 178.63 1s7y h LYS 248 N 0.69 0.11 -0.83 1.72 1.63 -0.93 -2.27 116.57 116.69 1s7y h LYS 248 Ca 0.11 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1s7y h LYS 248 Cb 0.63 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 1s7y h LYS 248 CO 0.04 0.36 0.55 0.93 -3.45 0.00 0.00 179.45 177.88 1s7y h GLU 249 N -0.15 1.04 -0.34 1.90 4.39 -1.21 -0.22 114.58 119.99 1s7y h GLU 249 Ca 0.02 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1s7y h GLU 249 Cb 0.30 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1s7y h GLU 249 CO 0.00 0.69 0.14 -0.22 -1.16 0.00 0.00 179.01 178.46 1s7y h LYS 250 N 1.07 0.50 0.00 2.33 3.64 -1.09 0.13 116.57 123.16 1s7y h LYS 250 Ca 0.32 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1s7y h LYS 250 Cb -0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1s7y h LYS 250 CO -0.09 0.49 -0.63 0.91 -2.27 0.00 0.00 179.45 177.86 1s7y n TRP 251 N -4.71 0.54 -0.12 1.91 7.02 -0.87 -4.31 117.44 116.90 1s7y n TRP 251 Ca -0.01 0.16 -0.19 0.00 -1.02 0.00 0.00 57.50 56.44 1s7y n TRP 251 Cb 0.13 -0.64 -0.10 0.00 -2.42 0.00 0.00 31.31 28.27 1s7y n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1s7y n TRP 252 N -2.09 0.00 -0.34 -5.99 8.01 -0.12 -4.83 117.44 112.09 1s7y n TRP 252 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1s7y n TRP 252 Cb 0.44 -0.89 0.00 0.00 -2.01 0.00 0.00 31.31 28.85 1s7y n TRP 252 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55