#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7h s ILE 10 N 0.00 2.69 0.11 5.15 1.01 -1.26 -4.84 121.20 124.05 1s7h s ILE 10 Ca 0.00 0.63 0.04 0.00 0.00 0.00 0.00 60.65 61.32 1s7h s ILE 10 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1s7h s ILE 10 CO 0.00 0.12 0.07 0.00 0.00 0.00 0.00 174.94 175.13 1s7h s ALA 11 N -0.53 3.48 0.12 9.38 0.00 0.75 -4.21 121.76 130.75 1s7h s ALA 11 Ca 0.54 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1s7h s ALA 11 Cb -0.41 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1s7h s ALA 11 CO 0.48 0.67 -0.02 0.20 0.00 0.00 0.00 175.76 177.09 1s7h s GLY 12 N -2.56 0.93 -0.27 0.00 0.00 0.46 -1.67 107.32 104.21 1s7h s GLY 12 Ca 0.29 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1s7h s GLY 12 CO 0.21 -1.45 0.33 -0.12 0.00 0.00 0.00 173.10 172.08 1s7h s PHE 13 N -3.75 -0.66 -0.27 1.90 5.99 0.27 -1.44 117.98 120.02 1s7h s PHE 13 Ca 0.18 0.22 -0.12 0.00 0.00 0.00 0.00 56.93 57.20 1s7h s PHE 13 Cb 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 43.02 42.77 1s7h s PHE 13 CO -0.01 -0.85 0.25 0.50 -0.00 0.00 0.00 175.22 175.10 1s7h s ARG 14 N 2.44 3.99 0.30 10.12 3.52 -0.72 -1.12 118.95 137.47 1s7h s ARG 14 Ca 0.10 -0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 55.48 1s7h s ARG 14 Cb -0.14 -3.65 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 1s7h s ARG 14 CO -0.26 -0.19 0.40 -0.59 -0.81 0.00 0.00 175.30 173.85 1s7h s PHE 15 N 1.80 1.00 -0.04 5.12 -0.12 0.16 0.10 117.98 126.00 1s7h s PHE 15 Ca 0.10 -1.23 -0.09 0.00 -0.05 0.00 0.00 56.93 55.66 1s7h s PHE 15 Cb -0.16 -0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.08 1s7h s PHE 15 CO 0.10 -1.00 0.22 -1.12 -0.05 0.00 0.00 175.22 173.37 1s7h s SER 16 N -3.19 -0.15 -0.19 1.98 0.01 -0.47 -0.60 113.70 111.09 1s7h s SER 16 Ca 0.31 0.18 -0.08 0.00 1.31 0.00 0.00 55.95 57.67 1s7h s SER 16 Cb 0.01 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 1s7h s SER 16 CO 0.17 -0.25 0.07 -0.76 0.41 0.00 0.00 173.24 172.89 1s7h s LEU 17 N -0.64 3.88 -0.41 2.44 1.43 -1.26 -1.76 118.68 122.35 1s7h s LEU 17 Ca -0.07 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1s7h s LEU 17 Cb -0.04 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.30 1s7h s LEU 17 CO 0.01 0.17 0.15 -0.31 0.23 0.00 0.00 176.35 176.61 1s7h s TYR 18 N 0.39 3.56 -0.24 0.29 2.02 0.42 -4.95 117.35 118.84 1s7h s TYR 18 Ca 0.04 -2.97 -0.21 0.00 -0.37 0.00 0.00 57.07 53.56 1s7h s TYR 18 Cb -0.12 -2.95 -0.02 0.00 -0.40 0.00 0.00 41.96 38.47 1s7h s TYR 18 CO -0.00 -0.89 0.64 -1.25 -1.57 0.00 0.00 175.55 172.48 1s7h s PRO 19 N 0.54 4.14 -1.46 -1.71 0.04 -1.26 -1.49 135.00 133.80 1s7h s PRO 19 Ca 0.13 0.59 -0.10 0.00 0.04 0.00 0.00 61.00 61.67 1s7h s PRO 19 Cb -0.21 -3.63 0.03 0.00 0.04 0.00 0.00 34.50 30.73 1s7h s PRO 19 CO -0.05 -0.37 2.49 -1.33 0.04 0.00 0.00 177.00 177.78 1s7h n MET 20 N 5.54 3.74 -3.72 4.56 2.81 -0.14 -4.73 117.12 125.18 1s7h n MET 20 Ca -0.00 -2.82 -0.10 0.00 -1.81 0.00 0.00 57.70 52.97 1s7h n MET 20 Cb 0.49 -2.88 -0.05 0.00 -0.71 0.00 0.00 33.22 30.07 1s7h n MET 20 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1s7h s THR 21 N 1.26 0.07 0.18 2.03 -1.32 -1.26 -4.70 115.64 111.89 1s7h s THR 21 Ca 0.56 -0.77 -0.09 0.00 -1.21 0.00 0.00 61.69 60.18 1s7h s THR 21 Cb 0.16 -1.36 0.07 0.00 -1.51 0.00 0.00 72.50 69.86 1s7h s THR 21 CO -0.06 -0.30 1.64 0.44 -2.21 0.00 0.00 174.62 174.13 1s7h h ASP 22 N 2.38 1.07 -0.79 8.08 3.32 -2.02 -3.06 116.42 125.39 1s7h h ASP 22 Ca -0.32 -0.31 -0.45 0.00 0.02 0.00 0.00 57.03 55.97 1s7h h ASP 22 Cb 1.25 -0.29 -0.14 0.00 0.22 0.00 0.00 39.33 40.37 1s7h h ASP 22 CO 0.46 1.11 0.46 -0.90 -1.72 0.00 0.00 179.24 178.65 1s7h n ASP 23 N -4.17 6.37 0.12 6.45 5.75 -1.26 -4.56 116.55 125.24 1s7h n ASP 23 Ca 0.03 -3.01 -0.01 0.00 -0.01 0.00 0.00 54.79 51.79 1s7h n ASP 23 Cb 0.35 -1.30 0.24 0.00 -1.03 0.00 0.00 41.12 39.39 1s7h n ASP 23 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 1s7h h PHE 24 N 3.18 0.18 -0.15 2.11 -5.15 -1.82 -2.74 116.94 112.55 1s7h h PHE 24 Ca 0.38 -0.05 -0.02 0.00 -0.20 0.00 0.00 57.97 58.09 1s7h h PHE 24 Cb 0.86 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.99 1s7h h PHE 24 CO 1.56 0.57 0.04 0.82 -2.00 0.00 0.00 178.31 179.30 1s7h h ILE 25 N 0.13 1.20 -0.27 0.88 2.04 -1.90 -2.21 117.51 117.39 1s7h h ILE 25 Ca 0.01 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 1s7h h ILE 25 Cb 0.82 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1s7h h ILE 25 CO 0.06 0.19 -0.26 0.77 0.00 0.00 0.00 178.15 178.92 1s7h h SER 26 N 0.05 0.52 -0.73 1.72 4.64 -1.93 -2.17 113.55 115.65 1s7h h SER 26 Ca 0.05 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1s7h h SER 26 Cb 0.27 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1s7h h SER 26 CO 0.00 0.77 0.27 0.58 -0.87 0.00 0.00 176.83 177.58 1s7h h VAL 27 N 0.45 1.25 -0.10 0.95 2.07 -1.37 -1.82 116.25 117.69 1s7h h VAL 27 Ca 0.07 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1s7h h VAL 27 Cb 0.69 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1s7h h VAL 27 CO 0.05 0.33 -0.16 0.40 0.02 0.00 0.00 177.57 178.22 1s7h h ILE 28 N 1.08 1.38 -0.27 4.57 2.04 -1.14 -2.67 117.51 122.50 1s7h h ILE 28 Ca 0.24 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.76 1s7h h ILE 28 Cb 0.25 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1s7h h ILE 28 CO -0.02 0.40 -0.02 0.11 0.00 0.00 0.00 178.15 178.62 1s7h h LYS 29 N -0.14 0.05 -0.48 2.37 1.57 -1.30 -2.26 116.57 116.38 1s7h h LYS 29 Ca 0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1s7h h LYS 29 Cb 0.71 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1s7h h LYS 29 CO 0.04 0.03 0.24 1.03 -0.57 0.00 0.00 179.45 180.22 1s7h h SER 30 N 0.05 0.35 0.30 0.86 0.87 -1.37 0.46 113.55 115.07 1s7h h SER 30 Ca 0.13 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1s7h h SER 30 Cb 0.18 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1s7h h SER 30 CO -0.24 0.24 -0.24 0.00 -0.53 0.00 0.00 176.83 176.06 1s7h h ALA 31 N 1.26 1.49 0.20 6.23 0.00 -1.23 0.16 119.26 127.37 1s7h h ALA 31 Ca 0.21 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1s7h h ALA 31 Cb 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s7h h ALA 31 CO -0.15 0.30 -1.51 -0.07 0.00 0.00 0.00 179.25 177.83 1s7h h LEU 32 N 0.00 0.67 0.38 0.00 3.38 -0.85 -3.25 115.31 115.63 1s7h h LEU 32 Ca -0.00 -0.79 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 1s7h h LEU 32 Cb 0.46 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1s7h h LEU 32 CO 0.03 1.63 -0.43 0.50 0.09 0.00 0.00 178.44 180.26 1s7h h LYS 33 N 0.12 -0.81 0.00 1.13 1.63 0.50 -2.22 116.57 116.91 1s7h h LYS 33 Ca -0.25 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1s7h h LYS 33 Cb 2.10 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.92 1s7h h LYS 33 CO 0.23 -0.54 0.00 1.63 -3.45 0.00 0.00 179.45 177.32 1s7h n LYS 34 N -5.51 0.06 -4.20 1.90 5.02 -0.01 -4.67 118.16 110.76 1s7h n LYS 34 Ca -0.10 0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 1s7h n LYS 34 Cb 0.41 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1s7h n LYS 34 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1s7h s THR 35 N -2.58 4.72 -0.66 -0.18 2.01 -0.83 -5.04 115.64 113.07 1s7h s THR 35 Ca 0.04 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 1s7h s THR 35 Cb 0.03 -3.02 0.09 0.00 0.01 0.00 0.00 72.50 69.61 1s7h s THR 35 CO 0.07 0.60 0.89 -0.62 -0.69 0.00 0.00 174.62 174.87 1s7h s ASP 36 N -0.87 6.22 -0.31 3.53 2.15 -1.26 -4.86 116.67 121.28 1s7h s ASP 36 Ca 0.13 -1.26 0.04 0.00 0.43 0.00 0.00 52.55 51.90 1s7h s ASP 36 Cb -0.12 -2.37 0.52 0.00 -0.30 0.00 0.00 42.92 40.65 1s7h s ASP 36 CO 0.03 -1.29 1.64 0.35 -0.17 0.00 0.00 175.17 175.73 1s7h n THR 37 N 5.74 2.54 0.19 1.71 -2.24 -1.26 -4.44 114.28 116.51 1s7h n THR 37 Ca -0.03 -1.36 0.08 0.00 -2.27 0.00 0.00 64.05 60.47 1s7h n THR 37 Cb 0.45 -0.55 0.21 0.00 -2.10 0.00 0.00 70.33 68.33 1s7h n THR 37 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s7h h SER 38 N 1.19 0.00 0.20 3.42 4.64 -2.00 -3.24 113.55 117.76 1s7h h SER 38 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1s7h h SER 38 Cb 2.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.34 1s7h h SER 38 CO 0.74 0.24 -0.13 0.29 -0.87 0.00 0.00 176.83 177.11 1s7h n LYS 39 N -3.21 1.00 -4.34 4.77 4.76 -1.26 -4.88 118.16 115.00 1s7h n LYS 39 Ca 0.02 -0.48 -0.18 0.00 -2.87 0.00 0.00 58.31 54.79 1s7h n LYS 39 Cb 0.58 -1.49 -0.15 0.00 -1.84 0.00 0.00 35.03 32.13 1s7h n LYS 39 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s7h s VAL 40 N -2.34 0.67 0.14 -0.18 -7.23 -1.22 -4.75 120.40 105.50 1s7h s VAL 40 Ca 0.31 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.81 1s7h s VAL 40 Cb 0.20 -0.57 -0.07 0.00 0.56 0.00 0.00 36.38 36.51 1s7h s VAL 40 CO 0.45 0.19 1.13 0.86 -0.31 0.00 0.00 175.10 177.42 1s7h s TRP 41 N -0.19 3.53 0.06 2.82 -0.00 0.50 -4.80 118.94 120.86 1s7h s TRP 41 Ca 0.03 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.64 1s7h s TRP 41 Cb -0.03 -3.33 -0.03 0.00 -0.00 0.00 0.00 33.47 30.07 1s7h s TRP 41 CO -0.00 -0.83 -0.05 0.95 -0.00 0.00 0.00 176.95 177.02 1s7h s THR 42 N 0.16 0.36 -0.14 5.86 -4.23 -1.26 -0.43 115.64 115.95 1s7h s THR 42 Ca 0.52 -1.57 -0.13 0.00 -1.18 0.00 0.00 61.69 59.33 1s7h s THR 42 Cb -0.29 -1.19 0.04 0.00 1.34 0.00 0.00 72.50 72.39 1s7h s THR 42 CO 0.33 -0.79 0.38 -0.75 -0.54 0.00 0.00 174.62 173.26 1s7h s LYS 43 N -3.10 0.45 -0.05 3.99 2.20 -1.03 -5.01 119.74 117.20 1s7h s LYS 43 Ca 0.01 0.53 0.04 0.00 -0.36 0.00 0.00 55.97 56.20 1s7h s LYS 43 Cb 0.01 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1s7h s LYS 43 CO -0.06 -0.05 -0.19 0.99 -0.36 0.00 0.00 175.35 175.68 1s7h s THR 44 N 0.19 1.56 0.21 3.43 2.01 -1.26 -1.38 115.64 120.39 1s7h s THR 44 Ca -0.00 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1s7h s THR 44 Cb -0.03 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1s7h s THR 44 CO 0.01 0.45 0.02 -0.90 -0.69 0.00 0.00 174.62 173.51 1s7h n ASP 45 N 3.19 2.04 0.14 3.53 5.68 -0.44 -5.02 116.55 125.66 1s7h n ASP 45 Ca -0.18 -1.96 0.12 0.00 -0.50 0.00 0.00 54.79 52.26 1s7h n ASP 45 Cb 0.53 0.26 0.51 0.00 -1.14 0.00 0.00 41.12 41.28 1s7h n ASP 45 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s7h n HIS 46 N -0.50 0.82 -0.06 2.11 1.44 -1.26 -3.76 115.22 114.01 1s7h n HIS 46 Ca -0.07 0.34 -0.08 0.00 -2.01 0.00 0.00 57.72 55.90 1s7h n HIS 46 Cb 0.28 -1.04 -0.06 0.00 0.12 0.00 0.00 29.99 29.28 1s7h n HIS 46 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1s7h n ILE 47 N -2.26 0.69 -3.88 0.61 5.41 -1.26 -5.11 119.36 113.56 1s7h n ILE 47 Ca 0.01 -0.29 -0.09 0.00 1.00 0.00 0.00 62.75 63.39 1s7h n ILE 47 Cb 0.20 -0.90 -0.01 0.00 -0.71 0.00 0.00 39.64 38.23 1s7h n ILE 47 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1s7h s SER 48 N -4.99 -0.00 -0.00 4.38 1.04 -1.25 -4.81 113.70 108.07 1s7h s SER 48 Ca -0.14 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 55.39 1s7h s SER 48 Cb 0.04 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.90 1s7h s SER 48 CO 0.30 -1.47 -0.25 -0.89 0.98 0.00 0.00 173.24 171.91 1s7h s THR 49 N -3.14 1.99 -0.01 2.02 2.01 0.23 -1.33 115.64 117.41 1s7h s THR 49 Ca 0.16 -1.14 0.08 0.00 0.31 0.00 0.00 61.69 61.11 1s7h s THR 49 Cb -0.04 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 1s7h s THR 49 CO 0.11 0.51 -0.26 0.54 -0.69 0.00 0.00 174.62 174.82 1s7h s VAL 50 N -0.64 2.06 -0.02 3.82 0.11 -0.48 -0.67 120.40 124.59 1s7h s VAL 50 Ca 0.10 -1.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1s7h s VAL 50 Cb -0.10 -1.72 -0.02 0.00 -1.53 0.00 0.00 36.38 33.02 1s7h s VAL 50 CO -0.00 0.54 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.33 1s7h s LEU 51 N -0.71 2.05 0.01 2.54 1.43 -0.28 -2.45 118.68 121.27 1s7h s LEU 51 Ca 0.10 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1s7h s LEU 51 Cb -0.10 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1s7h s LEU 51 CO -0.01 0.27 -0.03 -0.13 0.23 0.00 0.00 176.35 176.68 1s7h s ARG 52 N -0.54 0.26 0.00 1.70 0.52 0.42 -0.56 118.95 120.75 1s7h s ARG 52 Ca 0.09 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1s7h s ARG 52 Cb -0.09 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.22 1s7h s ARG 52 CO -0.01 0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.76 1s7h n GLY 53 N 2.61 -0.61 3.93 -3.53 0.00 -0.67 -0.37 105.19 106.55 1s7h n GLY 53 Ca -0.15 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1s7h n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s7h s SER 54 N -4.00 6.34 0.28 1.61 1.04 -1.26 -0.18 113.70 117.52 1s7h s SER 54 Ca 0.00 0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 1s7h s SER 54 Cb 0.00 -2.08 0.60 0.00 0.10 0.00 0.00 66.02 64.65 1s7h s SER 54 CO 0.00 -0.27 1.62 0.40 0.98 0.00 0.00 173.24 175.97 1s7h h ILE 55 N 0.92 0.25 0.01 -1.02 2.04 -1.91 0.33 117.51 118.13 1s7h h ILE 55 Ca -0.49 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1s7h h ILE 55 Cb 1.21 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1s7h h ILE 55 CO 0.63 0.02 -0.14 0.44 0.00 0.00 0.00 178.15 179.10 1s7h h ASP 56 N 0.11 -0.41 0.51 1.72 3.32 -1.99 -1.58 116.42 118.09 1s7h h ASP 56 Ca 0.51 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.51 1s7h h ASP 56 Cb 0.98 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1s7h h ASP 56 CO -0.73 -0.20 -0.51 0.45 -1.72 0.00 0.00 179.24 176.53 1s7h h HIS 57 N -0.24 0.01 -0.05 4.55 3.86 -1.46 -1.74 115.15 120.07 1s7h h HIS 57 Ca 0.05 -0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.03 1s7h h HIS 57 Cb 0.30 -0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.78 1s7h h HIS 57 CO -0.19 0.52 -0.83 0.28 0.86 0.00 0.00 177.93 178.56 1s7h h VAL 58 N 0.01 1.31 -0.15 2.45 2.07 -0.84 -2.93 116.25 118.17 1s7h h VAL 58 Ca -0.00 -2.09 -0.17 0.00 0.82 0.00 0.00 66.70 65.25 1s7h h VAL 58 Cb 0.91 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1s7h h VAL 58 CO 0.07 0.64 -0.61 -0.26 0.02 0.00 0.00 177.57 177.43 1s7h h PHE 59 N 0.32 0.65 -0.13 1.57 0.04 -1.28 -1.83 116.94 116.27 1s7h h PHE 59 Ca -0.09 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1s7h h PHE 59 Cb 1.49 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.52 1s7h h PHE 59 CO 0.11 0.98 0.09 0.22 -0.60 0.00 0.00 178.31 179.11 1s7h h ASP 60 N 0.37 0.16 -0.59 2.17 3.58 -1.38 -0.13 116.42 120.60 1s7h h ASP 60 Ca -0.01 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.34 1s7h h ASP 60 Cb 1.16 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 1s7h h ASP 60 CO 0.11 0.13 0.06 0.00 -2.88 0.00 0.00 179.24 176.66 1s7h h ALA 61 N 1.03 0.79 0.05 -0.78 0.00 -1.52 -1.76 119.26 117.07 1s7h h ALA 61 Ca 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1s7h h ALA 61 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1s7h h ALA 61 CO -0.01 0.57 -0.09 0.00 0.00 0.00 0.00 179.25 179.72 1s7h h ALA 62 N 1.00 -0.14 -0.58 0.00 0.00 -1.05 -0.45 119.26 118.04 1s7h h ALA 62 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1s7h h ALA 62 Cb 0.47 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1s7h h ALA 62 CO 0.02 -0.60 0.16 -0.22 0.00 0.00 0.00 179.25 178.60 1s7h h LYS 63 N -0.18 0.89 0.07 0.00 3.64 -0.92 -2.01 116.57 118.05 1s7h h LYS 63 Ca 0.02 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1s7h h LYS 63 Cb 0.20 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1s7h h LYS 63 CO -0.06 0.79 -0.03 0.00 -2.27 0.00 0.00 179.45 177.88 1s7h h ALA 64 N 1.31 -0.09 -0.86 5.00 0.00 -1.01 -1.18 119.26 122.44 1s7h h ALA 64 Ca 0.19 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1s7h h ALA 64 Cb 0.29 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1s7h h ALA 64 CO -0.00 -0.46 0.52 0.82 0.00 0.00 0.00 179.25 180.13 1s7h h ILE 65 N -0.28 0.98 0.03 0.00 2.04 -0.94 -1.02 117.51 118.32 1s7h h ILE 65 Ca -0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1s7h h ILE 65 Cb 0.24 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1s7h h ILE 65 CO 0.01 0.16 -0.01 0.22 0.00 0.00 0.00 178.15 178.53 1s7h h TYR 66 N 0.90 -0.04 -0.68 1.37 3.20 -1.16 -1.62 116.97 118.94 1s7h h TYR 66 Ca 0.39 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.29 1s7h h TYR 66 Cb 0.28 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1s7h h TYR 66 CO -0.04 0.14 0.43 -0.07 -1.64 0.00 0.00 178.16 176.98 1s7h h LEU 67 N -0.21 0.71 -0.18 2.82 3.38 -0.83 0.55 115.31 121.55 1s7h h LEU 67 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1s7h h LEU 67 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1s7h h LEU 67 CO 0.01 0.50 0.05 0.45 0.09 0.00 0.00 178.44 179.53 1s7h h HIS 68 N 0.84 0.30 -0.38 1.13 3.86 -1.17 0.20 115.15 119.93 1s7h h HIS 68 Ca 0.27 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1s7h h HIS 68 Cb -0.00 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1s7h h HIS 68 CO -0.04 0.41 0.19 0.00 0.86 0.00 0.00 177.93 179.35 1s7h h ALA 69 N 0.85 0.49 -0.87 2.45 0.00 -1.03 -2.64 119.26 118.51 1s7h h ALA 69 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1s7h h ALA 69 Cb 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1s7h h ALA 69 CO 0.00 0.04 0.50 0.00 0.00 0.00 0.00 179.25 179.79 1s7h h ALA 70 N 1.05 1.24 0.00 0.00 0.00 0.28 -2.51 119.26 119.32 1s7h h ALA 70 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s7h h ALA 70 Cb 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1s7h h ALA 70 CO -0.02 0.63 0.00 0.09 0.00 0.00 0.00 179.25 179.95 1s7h n ASN 71 N -4.35 0.12 0.05 0.00 4.13 0.69 -1.60 115.26 114.29 1s7h n ASN 71 Ca 0.09 -1.49 0.12 0.00 1.68 0.00 0.00 54.58 54.99 1s7h n ASN 71 Cb 0.08 -0.06 0.30 0.00 -1.54 0.00 0.00 39.78 38.56 1s7h n ASN 71 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s7h n SER 72 N -0.40 0.58 0.00 6.41 3.41 -0.95 -4.91 113.62 117.77 1s7h n SER 72 Ca 0.00 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1s7h n SER 72 Cb 0.03 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1s7h n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s7h n GLU 73 N -1.93 -0.31 -3.62 4.33 -0.58 -0.63 -5.01 120.64 112.90 1s7h n GLU 73 Ca 0.05 0.08 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 1s7h n GLU 73 Cb 0.40 -3.39 -0.04 0.00 -0.57 0.00 0.00 31.44 27.83 1s7h n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1s7h s GLN 74 N -0.48 3.63 -0.45 3.49 -1.52 -1.26 -4.97 119.66 118.10 1s7h s GLN 74 Ca 0.00 -0.07 -0.28 0.00 -1.95 0.00 0.00 55.36 53.06 1s7h s GLN 74 Cb 0.00 -2.81 -0.01 0.00 -0.22 0.00 0.00 33.01 29.97 1s7h s GLN 74 CO 0.00 0.42 1.75 -1.58 -0.25 0.00 0.00 175.29 175.63 1s7h s HIS 75 N -1.74 1.86 0.22 0.91 5.65 -1.26 -4.60 115.29 116.33 1s7h s HIS 75 Ca 0.42 0.68 0.11 0.00 0.25 0.00 0.00 55.06 56.52 1s7h s HIS 75 Cb -0.12 -4.15 -0.05 0.00 -1.18 0.00 0.00 32.58 27.08 1s7h s HIS 75 CO 0.25 -2.55 -0.21 0.96 -0.65 0.00 0.00 174.74 172.55 1s7h s ILE 76 N 7.40 2.26 -0.03 0.89 -5.25 -0.99 -0.97 121.20 124.50 1s7h s ILE 76 Ca 0.72 -2.18 0.01 0.00 -0.99 0.00 0.00 60.65 58.21 1s7h s ILE 76 Cb -0.17 -2.14 0.02 0.00 2.95 0.00 0.00 42.46 43.11 1s7h s ILE 76 CO 0.29 -0.31 -0.03 -0.69 -1.79 0.00 0.00 174.94 172.41 1s7h s VAL 77 N -2.19 0.40 -0.26 8.37 1.01 -0.56 -0.32 120.40 126.85 1s7h s VAL 77 Ca 0.24 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1s7h s VAL 77 Cb -0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1s7h s VAL 77 CO 0.11 0.18 0.12 -0.32 0.00 0.00 0.00 175.10 175.18 1s7h s MET 78 N 0.70 3.79 -0.19 2.72 0.00 -0.14 -0.44 119.30 125.73 1s7h s MET 78 Ca -0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 55.69 55.20 1s7h s MET 78 Cb -0.11 -3.46 0.05 0.00 0.00 0.00 0.00 34.83 31.30 1s7h s MET 78 CO -0.00 -0.17 -0.05 1.21 0.00 0.00 0.00 175.02 176.00 1s7h s ASN 79 N 1.63 3.12 0.30 1.11 3.84 -0.72 -1.10 114.94 123.12 1s7h s ASN 79 Ca 0.07 -0.81 -0.06 0.00 0.21 0.00 0.00 52.86 52.27 1s7h s ASN 79 Cb -0.15 -0.98 0.02 0.00 -0.55 0.00 0.00 41.25 39.59 1s7h s ASN 79 CO 0.06 -0.20 0.50 0.61 -2.79 0.00 0.00 177.10 175.28 1s7h n GLY 80 N 4.82 1.85 2.99 1.21 0.00 -0.98 -1.37 105.19 113.72 1s7h n GLY 80 Ca -0.12 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 1s7h n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s7h s THR 81 N -2.57 0.99 0.00 2.61 2.01 0.11 -0.62 115.64 118.18 1s7h s THR 81 Ca 0.20 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 1s7h s THR 81 Cb -0.02 -0.93 -0.06 0.00 0.01 0.00 0.00 72.50 71.51 1s7h s THR 81 CO 0.14 0.32 0.38 -0.36 -0.69 0.00 0.00 174.62 174.42 1s7h s PHE 82 N 0.74 3.70 -0.09 4.92 0.08 -0.17 -1.76 117.98 125.40 1s7h s PHE 82 Ca -0.13 0.93 -0.10 0.00 0.12 0.00 0.00 56.93 57.75 1s7h s PHE 82 Cb -0.15 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.08 1s7h s PHE 82 CO 0.03 0.64 0.26 0.45 -0.10 0.00 0.00 175.22 176.50 1s7h s SER 83 N -1.17 -0.25 -0.21 1.36 0.15 -0.52 -0.59 113.70 112.47 1s7h s SER 83 Ca 0.24 0.45 -0.19 0.00 0.70 0.00 0.00 55.95 57.15 1s7h s SER 83 Cb -0.16 0.50 0.06 0.00 -1.71 0.00 0.00 66.02 64.71 1s7h s SER 83 CO 0.13 -0.14 0.57 -0.51 1.20 0.00 0.00 173.24 174.48 1s7h s ILE 84 N -0.09 -0.00 0.00 6.45 2.07 -1.02 -0.40 121.20 128.21 1s7h s ILE 84 Ca -0.02 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 1s7h s ILE 84 Cb -0.03 -0.79 0.00 0.00 0.13 0.00 0.00 42.46 41.77 1s7h s ILE 84 CO 0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1s7h n GLY 85 N 2.90 0.73 3.50 1.50 0.00 -1.26 -2.11 105.19 110.46 1s7h n GLY 85 Ca -0.14 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.40 1s7h n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s7h n PRO 87 N 8.41 1.51 -1.00 0.00 -0.04 -1.26 -0.88 135.00 141.74 1s7h n PRO 87 Ca 0.37 0.54 -0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1s7h n PRO 87 Cb 0.31 -2.07 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1s7h n PRO 87 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s7h n GLY 88 N 1.10 0.32 3.69 0.55 0.00 -1.26 -4.96 105.19 104.63 1s7h n GLY 88 Ca 0.08 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1s7h n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s7h s ASP 89 N -2.01 6.70 -0.16 1.61 2.15 -0.06 -4.88 116.67 120.02 1s7h s ASP 89 Ca 0.00 2.35 -0.40 0.00 0.43 0.00 0.00 52.55 54.93 1s7h s ASP 89 Cb 0.00 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.88 1s7h s ASP 89 CO 0.00 -0.82 1.48 1.07 -0.17 0.00 0.00 175.17 176.73 1s7h n THR 90 N 4.64 0.11 0.95 1.71 5.66 -1.26 -4.78 114.28 121.30 1s7h n THR 90 Ca 0.15 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1s7h n THR 90 Cb 0.42 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 1s7h n THR 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s7h n GLN 91 N 3.60 0.95 0.00 1.09 1.13 -1.26 -4.69 117.38 118.19 1s7h n GLN 91 Ca 0.24 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1s7h n GLN 91 Cb 0.11 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1s7h n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s7h n GLY 92 N 0.04 5.01 4.16 1.08 0.00 -1.26 -4.90 105.19 109.31 1s7h n GLY 92 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1s7h n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s7h n ASP 93 N 0.00 0.06 -3.59 1.61 8.00 -1.26 -4.91 116.55 116.46 1s7h n ASP 93 Ca 0.00 -1.18 -0.08 0.00 0.71 0.00 0.00 54.79 54.24 1s7h n ASP 93 Cb 0.00 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.12 39.60 1s7h n ASP 93 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1s7h s THR 94 N -4.17 0.00 0.05 -3.53 -1.32 -1.26 -4.77 115.64 100.64 1s7h s THR 94 Ca 0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1s7h s THR 94 Cb -0.05 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1s7h s THR 94 CO 0.92 0.00 0.15 -0.31 -2.21 0.00 0.00 174.62 173.17 1s7h s TYR 95 N -1.38 3.39 -0.42 9.09 4.12 -1.26 -4.96 117.35 125.93 1s7h s TYR 95 Ca 0.03 0.21 -0.17 0.00 0.02 0.00 0.00 57.07 57.15 1s7h s TYR 95 Cb -0.01 -1.72 0.02 0.00 -1.52 0.00 0.00 41.96 38.73 1s7h s TYR 95 CO -0.02 0.57 0.43 -0.51 0.02 0.00 0.00 175.55 176.04 1s7h s LEU 96 N -2.29 4.87 -0.03 -1.29 1.43 -1.26 -4.80 118.68 115.31 1s7h s LEU 96 Ca 0.31 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1s7h s LEU 96 Cb -0.13 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.73 1s7h s LEU 96 CO 0.23 -0.57 0.08 -0.44 0.23 0.00 0.00 176.35 175.88 1s7h s SER 97 N 1.80 -0.07 -0.29 2.29 0.01 -1.26 -5.20 113.70 110.98 1s7h s SER 97 Ca 0.12 0.16 0.11 0.00 1.31 0.00 0.00 55.95 57.65 1s7h s SER 97 Cb -0.17 0.14 0.67 0.00 0.21 0.00 0.00 66.02 66.87 1s7h s SER 97 CO 0.13 -0.04 1.67 1.17 0.41 0.00 0.00 173.24 176.59 1s7h n LYS 98 N 3.19 3.30 -1.62 12.44 3.00 -1.26 -4.94 118.16 132.27 1s7h n LYS 98 Ca -0.14 -3.06 0.00 0.00 -0.00 0.00 0.00 58.31 55.11 1s7h n LYS 98 Cb 0.58 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1s7h n LYS 98 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1s7h n LYS 101 N -0.36 2.26 -2.30 1.64 2.85 -1.26 -5.15 118.16 115.84 1s7h n LYS 101 Ca 0.35 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.24 1s7h n LYS 101 Cb 1.23 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.57 1s7h n LYS 101 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1s7h s ARG 102 N -1.49 2.98 0.01 -1.58 1.81 -1.26 -4.84 118.95 114.58 1s7h s ARG 102 Ca 0.00 -0.16 0.05 0.00 -1.72 0.00 0.00 55.73 53.90 1s7h s ARG 102 Cb 0.00 -4.63 0.23 0.00 -0.45 0.00 0.00 34.95 30.09 1s7h s ARG 102 CO 0.00 -2.57 1.16 1.33 -0.68 0.00 0.00 175.30 174.55 1s7h n VAL 103 N 7.01 1.67 0.15 3.52 0.24 -1.26 -2.06 118.33 127.60 1s7h n VAL 103 Ca 0.21 0.44 0.03 0.00 -2.04 0.00 0.00 64.34 62.97 1s7h n VAL 103 Cb 0.50 -1.37 -0.03 0.00 -1.47 0.00 0.00 33.84 31.47 1s7h n VAL 103 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1s7h n ASN 104 N -1.54 1.63 -0.38 -1.34 3.02 -1.26 -4.72 115.26 110.67 1s7h n ASN 104 Ca 0.01 -0.38 -0.05 0.00 -0.03 0.00 0.00 54.58 54.13 1s7h n ASN 104 Cb 0.05 1.10 -0.02 0.00 -0.61 0.00 0.00 39.78 40.30 1s7h n ASN 104 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1s7h h GLU 105 N 0.00 -0.02 -0.15 3.52 4.81 -1.77 0.19 114.58 121.16 1s7h h GLU 105 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1s7h h GLU 105 Cb 0.17 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1s7h h GLU 105 CO 0.00 -0.02 -0.57 -0.44 -0.73 0.00 0.00 179.01 177.26 1s7h h ASP 106 N -0.02 0.51 0.19 1.04 3.32 -1.86 0.46 116.42 120.06 1s7h h ASP 106 Ca 0.26 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1s7h h ASP 106 Cb 0.53 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1s7h h ASP 106 CO -0.94 0.97 -0.25 0.00 -1.72 0.00 0.00 179.24 177.30 1s7h h ALA 107 N 1.04 1.45 0.00 3.45 0.00 -1.20 -3.31 119.26 120.69 1s7h h ALA 107 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1s7h h ALA 107 Cb 1.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1s7h h ALA 107 CO 0.10 0.39 -0.53 1.33 0.00 0.00 0.00 179.25 180.55 1s7h n VAL 108 N -4.20 0.00 -0.40 0.00 0.24 0.45 -4.68 118.33 109.75 1s7h n VAL 108 Ca -0.02 -0.31 0.33 0.00 -2.04 0.00 0.00 64.34 62.31 1s7h n VAL 108 Cb 0.33 0.83 0.62 0.00 -1.47 0.00 0.00 33.84 34.16 1s7h n VAL 108 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1s7h h ARG 109 N 0.00 0.17 0.00 7.34 2.43 -0.16 1.45 114.38 125.61 1s7h h ARG 109 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1s7h h ARG 109 Cb 0.17 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1s7h h ARG 109 CO 0.00 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 178.98 1s7h n GLY 110 N -1.56 -1.56 3.82 2.80 0.00 -1.26 -4.83 105.19 102.60 1s7h n GLY 110 Ca 0.32 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 1s7h n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s7h s LEU 111 N -4.27 4.17 0.11 0.99 1.43 0.50 -5.08 118.68 116.52 1s7h s LEU 111 Ca 0.09 1.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 1s7h s LEU 111 Cb 0.12 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1s7h s LEU 111 CO 0.53 -0.15 -0.13 -0.54 0.23 0.00 0.00 176.35 176.29 1s7h s LYS 112 N -2.56 0.96 -0.29 1.70 1.02 -1.26 -4.93 119.74 114.37 1s7h s LYS 112 Ca 0.52 -1.19 -0.21 0.00 0.02 0.00 0.00 55.97 55.11 1s7h s LYS 112 Cb -0.13 -0.80 0.16 0.00 -0.52 0.00 0.00 37.83 36.53 1s7h s LYS 112 CO 0.19 0.15 1.13 0.00 -0.92 0.00 0.00 175.35 175.89 1s7h s ALA 113 N -2.14 -2.23 0.20 5.17 0.00 -1.26 -4.82 121.76 116.68 1s7h s ALA 113 Ca 0.07 1.97 -0.30 0.00 0.00 0.00 0.00 51.96 53.70 1s7h s ALA 113 Cb -0.05 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.30 1s7h s ALA 113 CO 0.02 -0.26 1.26 -1.21 0.00 0.00 0.00 175.76 175.57 1s7h s GLU 114 N 0.70 4.43 -0.50 0.00 0.41 -1.26 0.22 118.70 122.70 1s7h s GLU 114 Ca -0.02 1.99 0.06 0.00 -0.41 0.00 0.00 54.97 56.59 1s7h s GLU 114 Cb -0.04 -3.21 0.38 0.00 -1.78 0.00 0.00 34.13 29.48 1s7h s GLU 114 CO -0.12 -0.18 1.00 0.00 -0.49 0.00 0.00 175.26 175.47 1s7h n ALA 115 N 2.49 4.58 -1.70 5.21 0.00 0.34 -4.58 120.51 126.85 1s7h n ALA 115 Ca 0.05 -4.39 -0.43 0.00 0.00 0.00 0.00 53.44 48.68 1s7h n ALA 115 Cb 0.43 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1s7h n ALA 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s7h n PRO 116 N -0.29 2.74 -4.20 0.00 -0.04 -1.26 -4.32 135.00 127.63 1s7h n PRO 116 Ca 0.32 1.00 -0.14 0.00 -0.04 0.00 0.00 63.50 64.64 1s7h n PRO 116 Cb 0.54 -2.87 -0.10 0.00 -0.04 0.00 0.00 33.50 31.02 1s7h n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s7h s GLN 118 N -3.32 0.45 0.27 0.00 -0.21 -0.83 -0.99 119.66 115.03 1s7h s GLN 118 Ca 0.11 -0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.34 1s7h s GLN 118 Cb 0.01 -1.83 -0.05 0.00 1.00 0.00 0.00 33.01 32.13 1s7h s GLN 118 CO -0.01 -0.59 -0.11 -0.59 -2.12 0.00 0.00 175.29 171.87 1s7h s PHE 119 N 1.96 2.02 -0.02 0.91 -0.12 -0.33 -1.65 117.98 120.75 1s7h s PHE 119 Ca 0.01 -0.56 -0.00 0.00 -0.05 0.00 0.00 56.93 56.32 1s7h s PHE 119 Cb -0.16 -1.04 0.02 0.00 -0.63 0.00 0.00 43.02 41.21 1s7h s PHE 119 CO -0.08 0.43 0.03 0.00 -0.05 0.00 0.00 175.22 175.55 1s7h s ALA 120 N -2.85 0.05 -0.25 1.99 0.00 -0.48 -0.44 121.76 119.79 1s7h s ALA 120 Ca 0.28 0.25 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 1s7h s ALA 120 Cb 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1s7h s ALA 120 CO 0.12 -0.09 0.11 -1.17 0.00 0.00 0.00 175.76 174.73 1s7h s LEU 121 N 0.83 3.70 -0.76 0.00 2.96 -1.26 -1.33 118.68 122.82 1s7h s LEU 121 Ca -0.07 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1s7h s LEU 121 Cb -0.10 -1.99 0.19 0.00 0.50 0.00 0.00 46.19 44.78 1s7h s LEU 121 CO -0.02 0.00 0.58 -0.31 -1.32 0.00 0.00 176.35 175.28 1s7h s TYR 122 N 1.42 3.66 -0.40 5.38 2.02 0.56 -4.95 117.35 125.03 1s7h s TYR 122 Ca 0.06 -3.16 -0.28 0.00 -0.37 0.00 0.00 57.07 53.32 1s7h s TYR 122 Cb -0.15 -2.97 -0.00 0.00 -0.40 0.00 0.00 41.96 38.44 1s7h s TYR 122 CO 0.05 -0.66 1.61 -2.14 -1.57 0.00 0.00 175.55 172.84 1s7h s PRO 123 N -1.21 3.38 0.31 -1.71 0.02 -1.26 -2.63 135.00 131.90 1s7h s PRO 123 Ca 0.25 1.09 -0.27 0.00 0.02 0.00 0.00 61.00 62.08 1s7h s PRO 123 Cb -0.09 -4.13 -0.09 0.00 0.02 0.00 0.00 34.50 30.21 1s7h s PRO 123 CO -0.13 -1.80 1.00 -1.64 -0.33 0.00 0.00 177.00 174.11 1s7h s MET 124 N 5.44 4.57 -1.44 5.54 -1.94 -0.55 -3.80 119.30 127.12 1s7h s MET 124 Ca 0.69 1.52 -0.01 0.00 -1.71 0.00 0.00 55.69 56.18 1s7h s MET 124 Cb -0.17 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 33.73 1s7h s MET 124 CO 0.32 0.22 0.30 -1.71 -0.01 0.00 0.00 175.02 174.14 1s7h n ASN 125 N 0.78 -0.13 -3.86 3.03 5.15 -1.26 -4.58 115.26 114.38 1s7h n ASN 125 Ca 0.01 -1.10 -0.30 0.00 -0.60 0.00 0.00 54.58 52.59 1s7h n ASN 125 Cb 0.48 -2.57 -0.15 0.00 -0.53 0.00 0.00 39.78 37.01 1s7h n ASN 125 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1s7h s GLU 126 N -6.82 1.14 0.38 1.20 2.56 -1.25 -4.99 118.70 110.92 1s7h s GLU 126 Ca 0.03 -1.25 0.16 0.00 0.00 0.00 0.00 54.97 53.90 1s7h s GLU 126 Cb -0.01 -2.48 1.03 0.00 2.00 0.00 0.00 34.13 34.66 1s7h s GLU 126 CO 0.92 -0.87 1.79 -1.35 -0.56 0.00 0.00 175.26 175.20 1s7h h PRO 127 N 7.93 0.45 -0.73 4.30 0.11 -1.92 0.73 132.00 142.88 1s7h h PRO 127 Ca -0.12 -0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.55 1s7h h PRO 127 Cb 1.03 -0.10 -0.24 0.00 0.11 0.00 0.00 31.00 31.80 1s7h h PRO 127 CO 0.47 0.30 0.30 -0.25 -0.21 0.00 0.00 178.00 178.61 1s7h n ASP 128 N -4.64 3.90 -0.30 -2.05 9.92 -1.26 -4.69 116.55 117.44 1s7h n ASP 128 Ca 0.24 -3.72 0.09 0.00 -0.53 0.00 0.00 54.79 50.86 1s7h n ASP 128 Cb 0.78 -0.75 0.30 0.00 -0.64 0.00 0.00 41.12 40.82 1s7h n ASP 128 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1s7h h TYR 129 N 1.23 0.98 0.00 1.24 -0.00 -1.16 0.12 116.97 119.37 1s7h h TYR 129 Ca 0.46 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 59.21 1s7h h TYR 129 Cb 2.02 -0.31 -0.00 0.00 0.00 0.00 0.00 36.73 38.44 1s7h h TYR 129 CO 1.32 0.40 -0.00 0.52 -0.00 0.00 0.00 178.16 180.40 1s7h h MET 130 N 0.86 0.00 0.05 0.10 2.86 -1.83 -2.39 114.93 114.58 1s7h h MET 130 Ca 0.45 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.90 1s7h h MET 130 Cb 0.52 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.20 1s7h h MET 130 CO -0.21 0.00 -0.79 0.78 1.06 0.00 0.00 176.91 177.75 1s7h h GLY 131 N 0.25 0.49 0.53 8.32 0.00 -1.13 -3.10 103.07 108.43 1s7h h GLY 131 Ca -0.00 -0.97 0.06 0.00 0.00 0.00 0.00 47.33 46.43 1s7h h GLY 131 CO 0.00 0.85 0.12 1.41 0.00 0.00 0.00 176.54 178.93 1s7h h LEU 132 N -0.07 0.09 -0.59 3.11 4.07 -1.41 0.11 115.31 120.62 1s7h h LEU 132 Ca -0.11 0.06 0.12 0.00 0.08 0.00 0.00 57.88 58.03 1s7h h LEU 132 Cb 1.52 0.07 -0.09 0.00 1.08 0.00 0.00 40.66 43.23 1s7h h LEU 132 CO 0.15 0.08 0.05 0.40 -1.08 0.00 0.00 178.44 178.04 1s7h h ILE 133 N 0.28 0.56 -0.72 1.22 2.04 -1.58 2.27 117.51 121.58 1s7h h ILE 133 Ca 0.21 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 1s7h h ILE 133 Cb 0.24 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1s7h h ILE 133 CO -0.24 0.03 0.26 0.24 0.00 0.00 0.00 178.15 178.44 1s7h h MET 134 N 0.17 1.08 -0.34 2.37 2.86 -1.19 -0.04 114.93 119.84 1s7h h MET 134 Ca 0.31 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1s7h h MET 134 Cb 0.49 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1s7h h MET 134 CO -0.47 0.89 -0.25 1.49 1.06 0.00 0.00 176.91 179.64 1s7h h GLU 135 N 1.05 0.67 -0.71 1.72 4.81 0.20 -2.23 114.58 120.10 1s7h h GLU 135 Ca 0.24 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1s7h h GLU 135 Cb 0.24 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1s7h h GLU 135 CO -0.02 0.85 0.27 0.00 -0.73 0.00 0.00 179.01 179.38 1s7h h ALA 136 N 1.14 1.14 -0.72 2.92 0.00 0.45 -1.98 119.26 122.22 1s7h h ALA 136 Ca 0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1s7h h ALA 136 Cb 0.73 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1s7h h ALA 136 CO 0.06 0.61 0.22 0.28 0.00 0.00 0.00 179.25 180.42 1s7h h VAL 137 N 1.03 1.26 -0.56 0.00 2.07 -0.50 -2.55 116.25 117.00 1s7h h VAL 137 Ca 0.24 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1s7h h VAL 137 Cb 0.22 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1s7h h VAL 137 CO -0.02 0.35 0.09 0.44 0.02 0.00 0.00 177.57 178.45 1s7h h ASP 138 N 1.07 0.90 -0.85 0.57 3.32 -0.87 0.54 116.42 121.10 1s7h h ASP 138 Ca 0.23 -0.26 0.09 0.00 0.02 0.00 0.00 57.03 57.11 1s7h h ASP 138 Cb 0.31 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1s7h h ASP 138 CO -0.01 0.93 0.55 0.40 -1.72 0.00 0.00 179.24 179.40 1s7h h ILE 139 N 0.83 0.99 -0.12 0.35 2.04 -1.15 0.70 117.51 121.15 1s7h h ILE 139 Ca 0.17 -0.29 -0.21 0.00 1.00 0.00 0.00 64.86 65.53 1s7h h ILE 139 Cb 0.42 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1s7h h ILE 139 CO 0.01 0.16 -0.77 0.00 0.00 0.00 0.00 178.15 177.55 1s7h h ALA 140 N 1.56 0.41 -0.50 1.87 0.00 -0.95 -1.37 119.26 120.29 1s7h h ALA 140 Ca 0.38 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1s7h h ALA 140 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1s7h h ALA 140 CO -0.15 0.72 -0.13 0.87 0.00 0.00 0.00 179.25 180.56 1s7h h LYS 141 N 0.43 0.95 0.26 0.00 1.57 0.32 0.27 116.57 120.37 1s7h h LYS 141 Ca -0.05 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1s7h h LYS 141 Cb 1.38 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1s7h h LYS 141 CO 0.15 1.01 -0.16 0.00 -0.57 0.00 0.00 179.45 179.89 1s7h h ALA 142 N 1.00 -1.02 0.00 3.86 0.00 0.48 -2.43 119.26 121.15 1s7h h ALA 142 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s7h h ALA 142 Cb 0.67 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1s7h h ALA 142 CO 0.05 -1.01 0.00 1.04 0.00 0.00 0.00 179.25 179.33 1s7h n GLN 143 N -3.20 0.06 -2.68 0.00 6.02 -0.53 -4.83 117.38 112.23 1s7h n GLN 143 Ca -0.05 0.18 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1s7h n GLN 143 Cb 0.16 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 29.94 1s7h n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s7h n GLY 144 N -0.94 0.02 0.00 1.08 0.00 -0.40 -4.94 105.19 100.00 1s7h n GLY 144 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.79 1s7h n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s7h n THR 145 N -3.94 0.00 -2.38 2.61 -2.24 0.82 -4.93 114.28 104.22 1s7h n THR 145 Ca -0.06 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1s7h n THR 145 Cb 0.57 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1s7h n THR 145 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1s7h s PHE 146 N -1.78 3.43 -0.07 4.78 5.36 -0.99 -0.15 117.98 128.56 1s7h s PHE 146 Ca 0.02 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1s7h s PHE 146 Cb 0.05 -3.43 -0.04 0.00 -0.34 0.00 0.00 43.02 39.26 1s7h s PHE 146 CO 0.28 -1.21 -0.06 1.55 -1.46 0.00 0.00 175.22 174.32 1s7h n VAL 147 N 2.60 0.37 0.00 3.12 3.14 -0.66 -4.87 118.33 122.03 1s7h n VAL 147 Ca 0.05 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 1s7h n VAL 147 Cb 0.45 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1s7h n VAL 147 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1s7h n GLN 148 N -2.75 -1.48 -4.17 1.45 10.64 -1.22 -5.03 117.38 114.83 1s7h n GLN 148 Ca -0.12 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.76 1s7h n GLN 148 Cb 0.62 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.92 1s7h n GLN 148 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1s7h s GLY 149 N 0.00 1.84 0.28 2.61 0.00 -1.26 -0.12 107.32 110.68 1s7h s GLY 149 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.55 1s7h s GLY 149 CO 0.00 -1.19 0.25 -1.34 0.00 0.00 0.00 173.10 170.82 1s7h s VAL 150 N -1.38 0.00 0.13 1.40 -7.23 -0.63 -4.94 120.40 107.75 1s7h s VAL 150 Ca 0.25 -1.95 -0.31 0.00 -1.81 0.00 0.00 61.98 58.15 1s7h s VAL 150 Cb -0.11 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.22 1s7h s VAL 150 CO 0.17 0.00 1.84 1.41 -0.31 0.00 0.00 175.10 178.21 1s7h n HIS 151 N -0.49 2.65 -0.87 2.82 8.25 -1.26 -2.70 115.22 123.61 1s7h n HIS 151 Ca 0.05 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1s7h n HIS 151 Cb 0.63 -2.73 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1s7h n HIS 151 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1s7h n TYR 152 N 5.54 0.00 -3.47 4.41 4.01 -1.26 -4.96 117.16 121.44 1s7h n TYR 152 Ca 0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.81 1s7h n TYR 152 Cb 0.37 -1.07 -0.02 0.00 -0.31 0.00 0.00 39.34 38.32 1s7h n TYR 152 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s7h s ALA 153 N -1.75 -1.67 -0.03 -0.72 0.00 -1.10 -4.73 121.76 111.76 1s7h s ALA 153 Ca 0.00 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 1s7h s ALA 153 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1s7h s ALA 153 CO 0.00 -0.75 0.02 -1.12 0.00 0.00 0.00 175.76 173.91 1s7h s SER 154 N -2.66 5.28 -0.16 0.00 0.01 0.42 -1.61 113.70 114.99 1s7h s SER 154 Ca 0.03 0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 1s7h s SER 154 Cb -0.01 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 1s7h s SER 154 CO -0.11 0.31 0.07 -1.61 0.41 0.00 0.00 173.24 172.32 1s7h s GLU 155 N -1.36 3.73 0.43 12.44 2.02 0.83 -1.19 118.70 135.60 1s7h s GLU 155 Ca 0.18 -0.30 0.06 0.00 0.02 0.00 0.00 54.97 54.93 1s7h s GLU 155 Cb -0.12 -3.16 -0.06 0.00 0.10 0.00 0.00 34.13 30.89 1s7h s GLU 155 CO 0.08 0.45 0.03 -0.51 0.02 0.00 0.00 175.26 175.33 1s7h s LEU 156 N -0.12 2.80 -0.17 1.80 1.43 -0.16 -1.65 118.68 122.61 1s7h s LEU 156 Ca 0.07 -1.39 -0.30 0.00 -1.03 0.00 0.00 54.13 51.49 1s7h s LEU 156 Cb -0.12 -0.93 0.13 0.00 0.03 0.00 0.00 46.19 45.30 1s7h s LEU 156 CO 0.01 -0.54 1.02 -0.62 0.23 0.00 0.00 176.35 176.45 1s7h s ASP 157 N -3.77 -0.34 0.00 2.29 2.15 0.79 -1.84 116.67 115.94 1s7h s ASP 157 Ca 0.30 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.65 1s7h s ASP 157 Cb 0.08 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 1s7h s ASP 157 CO 0.16 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 1s7h n GLY 158 N 0.69 0.97 3.77 2.66 0.00 -1.26 -4.53 105.19 107.49 1s7h n GLY 158 Ca -0.09 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1s7h n GLY 158 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s7h s ASP 159 N -4.00 7.30 0.28 1.61 2.15 -1.26 0.13 116.67 122.88 1s7h s ASP 159 Ca 0.00 1.91 -0.07 0.00 0.43 0.00 0.00 52.55 54.82 1s7h s ASP 159 Cb 0.00 -2.59 0.49 0.00 -0.30 0.00 0.00 42.92 40.52 1s7h s ASP 159 CO 0.00 -0.09 1.55 0.00 -0.17 0.00 0.00 175.17 176.45 1s7h n ALA 160 N 0.66 0.27 -0.07 3.66 0.00 0.59 -0.92 120.51 124.70 1s7h n ALA 160 Ca 0.02 1.09 -0.07 0.00 0.00 0.00 0.00 53.44 54.47 1s7h n ALA 160 Cb 0.49 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1s7h n ALA 160 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s7h h HIS 161 N 0.00 -0.50 -0.26 0.00 3.86 -1.92 0.21 115.15 116.54 1s7h h HIS 161 Ca 0.49 0.04 -0.17 0.00 -1.16 0.00 0.00 60.37 59.57 1s7h h HIS 161 Cb 0.79 0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 1s7h h HIS 161 CO -0.73 -0.27 -0.52 -0.44 0.86 0.00 0.00 177.93 176.82 1s7h h ASP 162 N -0.17 0.83 -0.14 2.45 3.32 -1.41 -1.61 116.42 119.70 1s7h h ASP 162 Ca 0.16 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1s7h h ASP 162 Cb 0.41 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1s7h h ASP 162 CO -0.40 1.20 0.06 0.58 -1.72 0.00 0.00 179.24 178.96 1s7h h VAL 163 N 0.58 1.15 -0.24 -1.35 2.07 -0.76 0.15 116.25 117.86 1s7h h VAL 163 Ca 0.02 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 1s7h h VAL 163 Cb 1.10 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1s7h h VAL 163 CO 0.11 0.14 -0.24 -0.26 0.02 0.00 0.00 177.57 177.34 1s7h h PHE 164 N 0.07 0.49 -0.35 1.57 0.04 -0.64 -0.01 116.94 118.12 1s7h h PHE 164 Ca 0.05 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1s7h h PHE 164 Cb 0.16 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1s7h h PHE 164 CO -0.02 0.65 0.22 1.03 -0.60 0.00 0.00 178.31 179.60 1s7h h SER 165 N 0.40 0.41 -0.43 2.17 0.87 -0.96 0.64 113.55 116.64 1s7h h SER 165 Ca 0.06 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1s7h h SER 165 Cb 0.63 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1s7h h SER 165 CO 0.05 0.31 0.04 0.74 -0.53 0.00 0.00 176.83 177.43 1s7h h THR 166 N 0.46 1.25 -0.48 2.23 2.02 -0.26 -1.69 112.91 116.44 1s7h h THR 166 Ca 0.13 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1s7h h THR 166 Cb -0.03 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1s7h h THR 166 CO -0.03 0.33 0.26 -0.07 0.37 0.00 0.00 175.52 176.39 1s7h h LEU 167 N 0.58 0.60 -0.56 2.58 3.38 -0.74 -0.48 115.31 120.68 1s7h h LEU 167 Ca 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1s7h h LEU 167 Cb 0.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1s7h h LEU 167 CO 0.02 0.52 0.15 -0.08 0.09 0.00 0.00 178.44 179.14 1s7h h GLU 168 N 0.63 0.88 0.71 1.13 4.81 -0.80 0.93 114.58 122.88 1s7h h GLU 168 Ca 0.17 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1s7h h GLU 168 Cb 0.06 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1s7h h GLU 168 CO -0.03 0.82 -0.41 0.00 -0.73 0.00 0.00 179.01 178.66 1s7h h ALA 169 N 1.02 -1.07 -0.93 2.92 0.00 -1.04 0.11 119.26 120.27 1s7h h ALA 169 Ca 0.18 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1s7h h ALA 169 Cb 0.32 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1s7h h ALA 169 CO -0.00 -1.11 0.54 0.28 0.00 0.00 0.00 179.25 178.96 1s7h h VAL 170 N -1.05 0.80 -0.30 0.00 2.07 -0.98 -0.94 116.25 115.85 1s7h h VAL 170 Ca -0.09 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1s7h h VAL 170 Cb 0.83 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1s7h h VAL 170 CO 0.11 0.14 0.09 0.15 0.02 0.00 0.00 177.57 178.08 1s7h h PHE 171 N 0.79 0.49 0.55 1.57 3.57 -0.42 -2.81 116.94 120.67 1s7h h PHE 171 Ca 0.49 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.92 1s7h h PHE 171 Cb 0.63 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1s7h h PHE 171 CO -0.04 0.51 -0.35 0.00 -2.23 0.00 0.00 178.31 176.20 1s7h h ARG 172 N 0.33 -0.82 -0.86 1.11 3.08 0.32 -0.71 114.38 116.83 1s7h h ARG 172 Ca 0.10 0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.34 1s7h h ARG 172 Cb 0.26 0.19 -0.15 0.00 0.08 0.00 0.00 29.97 30.35 1s7h h ARG 172 CO -0.00 -0.55 -0.35 1.98 -1.07 0.00 0.00 179.97 179.98 1s7h h MET 173 N -0.85 -0.05 -0.50 0.04 4.05 -1.20 0.31 114.93 116.72 1s7h h MET 173 Ca -0.06 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 1s7h h MET 173 Cb 0.70 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 1s7h h MET 173 CO 0.06 -0.03 0.19 0.00 0.23 0.00 0.00 176.91 177.35 1s7h h ALA 174 N 1.32 0.65 0.00 0.39 0.00 -1.36 -2.22 119.26 118.04 1s7h h ALA 174 Ca 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1s7h h ALA 174 Cb 0.59 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s7h h ALA 174 CO -0.88 0.27 -0.15 1.49 0.00 0.00 0.00 179.25 179.98 1s7h h GLU 175 N 0.67 0.00 -0.37 0.00 4.22 0.69 0.47 114.58 120.27 1s7h h GLU 175 Ca 0.17 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.48 1s7h h GLU 175 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1s7h h GLU 175 CO -0.01 0.15 -0.27 1.96 -2.18 0.00 0.00 179.01 178.66 1s7h h GLN 176 N 0.00 0.76 0.06 1.92 1.08 0.10 -3.33 115.11 115.69 1s7h h GLN 176 Ca -0.00 -0.33 -0.36 0.00 -1.45 0.00 0.00 58.65 56.51 1s7h h GLN 176 Cb 0.33 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 1s7h h GLN 176 CO 0.02 0.94 -2.12 1.04 -0.95 0.00 0.00 178.83 177.76 1s7h n GLN 177 N -4.09 0.70 -4.38 1.46 6.02 -0.78 -4.94 117.38 111.37 1s7h n GLN 177 Ca -0.00 0.21 -0.34 0.00 -0.01 0.00 0.00 57.00 56.86 1s7h n GLN 177 Cb 0.46 -1.65 -0.11 0.00 1.02 0.00 0.00 30.24 29.95 1s7h n GLN 177 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1s7h s THR 178 N -2.55 4.01 0.09 5.09 2.01 0.16 -5.03 115.64 119.42 1s7h s THR 178 Ca -0.22 -0.32 -0.33 0.00 0.31 0.00 0.00 61.69 61.13 1s7h s THR 178 Cb 0.07 -2.75 -0.15 0.00 0.01 0.00 0.00 72.50 69.69 1s7h s THR 178 CO 0.74 0.51 1.59 -1.13 -0.69 0.00 0.00 174.62 175.64 1s7h h ASN 179 N 6.39 -1.13 -3.28 3.53 -1.24 -1.85 -3.40 115.58 114.59 1s7h h ASN 179 Ca -0.35 0.09 -0.66 0.00 0.71 0.00 0.00 56.30 56.09 1s7h h ASN 179 Cb 1.19 0.38 -0.30 0.00 0.73 0.00 0.00 38.32 40.32 1s7h h ASN 179 CO 0.62 -0.58 -0.78 -2.28 -1.29 0.00 0.00 177.43 173.12 1s7h s HIS 180 N -5.95 2.84 0.07 0.67 2.46 -1.26 -3.98 115.29 110.14 1s7h s HIS 180 Ca -0.17 -1.05 -0.06 0.00 0.47 0.00 0.00 55.06 54.25 1s7h s HIS 180 Cb 0.05 -1.95 -0.02 0.00 -0.13 0.00 0.00 32.58 30.53 1s7h s HIS 180 CO 0.62 -0.51 0.11 0.96 -2.47 0.00 0.00 174.74 173.45 1s7h s ILE 181 N 1.03 0.17 0.05 0.89 -4.36 -0.90 -1.48 121.20 116.59 1s7h s ILE 181 Ca -0.01 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1s7h s ILE 181 Cb -0.15 -1.37 -0.03 0.00 1.25 0.00 0.00 42.46 42.16 1s7h s ILE 181 CO -0.02 -0.77 -0.04 0.42 0.24 0.00 0.00 174.94 174.77 1s7h s THR 182 N -3.79 0.30 -0.25 8.37 -4.23 -1.08 -2.43 115.64 112.52 1s7h s THR 182 Ca 0.05 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1s7h s THR 182 Cb 0.06 -1.10 0.12 0.00 1.34 0.00 0.00 72.50 72.92 1s7h s THR 182 CO -0.10 -0.78 0.29 -0.32 -0.54 0.00 0.00 174.62 173.17 1s7h s MET 183 N -2.97 0.28 0.30 3.99 0.00 0.25 -0.32 119.30 120.83 1s7h s MET 183 Ca -0.00 0.11 -0.27 0.00 0.00 0.00 0.00 55.69 55.53 1s7h s MET 183 Cb 0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 34.83 33.94 1s7h s MET 183 CO -0.06 -0.83 0.95 0.95 0.00 0.00 0.00 175.02 176.04 1s7h s THR 184 N 2.39 4.16 0.09 10.11 -4.23 -0.44 -1.00 115.64 126.71 1s7h s THR 184 Ca 0.09 1.88 0.04 0.00 -1.18 0.00 0.00 61.69 62.52 1s7h s THR 184 Cb -0.15 -4.08 -0.03 0.00 1.34 0.00 0.00 72.50 69.58 1s7h s THR 184 CO -0.22 0.23 -0.11 0.68 -0.54 0.00 0.00 174.62 174.66 1s7h s VAL 185 N -1.51 0.93 -0.32 2.29 -7.23 0.21 -1.38 120.40 113.38 1s7h s VAL 185 Ca 0.48 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.14 1s7h s VAL 185 Cb -0.21 -1.23 0.14 0.00 0.56 0.00 0.00 36.38 35.65 1s7h s VAL 185 CO 0.26 -0.48 0.31 0.21 -0.31 0.00 0.00 175.10 175.09 1s7h s ASN 186 N -2.23 1.63 -0.19 4.85 3.84 -0.66 -2.32 114.94 119.87 1s7h s ASN 186 Ca 0.02 -1.14 -0.07 0.00 0.21 0.00 0.00 52.86 51.89 1s7h s ASN 186 Cb -0.05 0.45 -0.04 0.00 -0.55 0.00 0.00 41.25 41.06 1s7h s ASN 186 CO 0.00 -0.34 0.04 -0.76 -2.79 0.00 0.00 177.10 173.26 1s7h s LEU 187 N 1.96 3.61 -0.27 3.21 1.02 -0.26 -1.96 118.68 125.98 1s7h s LEU 187 Ca 0.12 -0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.20 1s7h s LEU 187 Cb -0.15 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.16 1s7h s LEU 187 CO -0.21 0.13 0.02 -0.55 0.02 0.00 0.00 176.35 175.76 1s7h s SER 188 N 0.62 4.79 -0.02 2.29 0.15 -0.77 -0.97 113.70 119.79 1s7h s SER 188 Ca 0.02 -0.73 -0.02 0.00 0.70 0.00 0.00 55.95 55.91 1s7h s SER 188 Cb -0.13 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1s7h s SER 188 CO 0.02 -0.15 0.14 0.00 1.20 0.00 0.00 173.24 174.45 1s7h s ALA 189 N 1.44 3.82 -1.66 5.45 0.00 0.56 -4.12 121.76 127.25 1s7h s ALA 189 Ca 0.02 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1s7h s ALA 189 Cb -0.17 -1.79 0.14 0.00 0.00 0.00 0.00 23.12 21.30 1s7h s ALA 189 CO -0.00 0.71 0.80 0.09 0.00 0.00 0.00 175.76 177.36 1s7h n ASN 190 N 1.16 -3.37 -4.74 0.00 5.03 -1.26 -2.36 115.26 109.71 1s7h n ASN 190 Ca -0.13 -0.97 -0.41 0.00 0.87 0.00 0.00 54.58 53.94 1s7h n ASN 190 Cb 0.53 -2.96 -0.03 0.00 -1.02 0.00 0.00 39.78 36.30 1s7h n ASN 190 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1s7h s SER 191 N -3.36 6.71 0.00 6.41 0.15 -1.26 -4.13 113.70 118.22 1s7h s SER 191 Ca 0.68 2.59 0.09 0.00 0.70 0.00 0.00 55.95 60.01 1s7h s SER 191 Cb -0.37 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 61.83 1s7h s SER 191 CO 0.91 -0.66 0.96 -0.81 1.20 0.00 0.00 173.24 174.84