#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s96 s GLY 4 N 0.00 1.62 -0.07 1.08 0.00 -0.30 -4.84 107.32 104.81 1s96 s GLY 4 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.01 1s96 s GLY 4 CO 0.00 -0.15 -0.16 -1.59 0.00 0.00 0.00 173.10 171.21 1s96 s THR 5 N -3.51 2.92 -0.26 0.90 2.01 -1.26 -4.90 115.64 111.55 1s96 s THR 5 Ca 0.66 -0.76 -0.23 0.00 0.31 0.00 0.00 61.69 61.66 1s96 s THR 5 Cb -0.11 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1s96 s THR 5 CO 0.52 0.57 0.78 -0.22 -0.69 0.00 0.00 174.62 175.58 1s96 s LEU 6 N -0.43 4.08 -0.30 4.42 1.98 -1.26 -1.11 118.68 126.06 1s96 s LEU 6 Ca 0.05 0.91 -0.08 0.00 -2.89 0.00 0.00 54.13 52.12 1s96 s LEU 6 Cb -0.12 -3.10 0.00 0.00 0.66 0.00 0.00 46.19 43.63 1s96 s LEU 6 CO 0.02 -0.50 0.10 -0.31 -1.89 0.00 0.00 176.35 173.76 1s96 s TYR 7 N 2.79 3.15 -0.17 5.38 1.51 0.21 -0.13 117.35 130.10 1s96 s TYR 7 Ca 0.33 -0.85 -0.26 0.00 -1.01 0.00 0.00 57.07 55.28 1s96 s TYR 7 Cb -0.15 -2.28 -0.01 0.00 -0.11 0.00 0.00 41.96 39.41 1s96 s TYR 7 CO 0.08 -0.54 0.87 0.42 -1.11 0.00 0.00 175.55 175.28 1s96 s ILE 8 N 1.53 4.85 -0.11 2.71 1.01 0.11 -0.31 121.20 131.00 1s96 s ILE 8 Ca 0.03 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.43 1s96 s ILE 8 Cb -0.17 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.13 1s96 s ILE 8 CO 0.03 -0.00 -0.20 -0.69 0.00 0.00 0.00 174.94 174.08 1s96 s VAL 9 N 2.27 1.83 0.13 2.92 1.01 -0.13 0.46 120.40 128.89 1s96 s VAL 9 Ca 0.40 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1s96 s VAL 9 Cb -0.17 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1s96 s VAL 9 CO 0.12 0.51 0.01 -0.44 0.00 0.00 0.00 175.10 175.30 1s96 s SER 10 N 0.63 0.74 0.00 3.32 0.01 -0.81 -1.37 113.70 116.22 1s96 s SER 10 Ca -0.13 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1s96 s SER 10 Cb -0.16 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1s96 s SER 10 CO 0.03 -0.63 0.00 0.00 0.41 0.00 0.00 173.24 173.06 1s96 n ALA 11 N -0.11 0.00 -1.43 1.44 0.00 -1.26 -1.77 120.51 117.38 1s96 n ALA 11 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1s96 n ALA 11 Cb 0.63 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.16 1s96 n ALA 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s96 s PRO 12 N -2.00 2.38 0.78 0.00 0.04 -1.26 -4.98 135.00 129.96 1s96 s PRO 12 Ca 0.00 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 1s96 s PRO 12 Cb 0.00 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.68 1s96 s PRO 12 CO 0.00 -1.49 1.21 -1.12 0.04 0.00 0.00 177.00 175.64 1s96 s SER 13 N -3.65 3.79 0.00 6.66 0.01 -1.26 -3.28 113.70 115.96 1s96 s SER 13 Ca 0.60 2.39 0.00 0.00 1.31 0.00 0.00 55.95 60.25 1s96 s SER 13 Cb -0.15 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1s96 s SER 13 CO 0.55 -2.54 0.00 0.61 0.41 0.00 0.00 173.24 172.28 1s96 n GLY 14 N 0.50 0.75 0.55 3.44 0.00 -1.26 -4.91 105.19 104.27 1s96 n GLY 14 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1s96 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s96 n ALA 15 N -0.51 2.35 -1.68 4.61 0.00 -1.21 -4.57 120.51 119.51 1s96 n ALA 15 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 1s96 n ALA 15 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1s96 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s96 n GLY 16 N 0.61 0.91 0.08 0.00 0.00 -1.26 -4.75 105.19 100.77 1s96 n GLY 16 Ca 0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1s96 n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1s96 h LYS 17 N 0.00 -0.04 -0.68 1.61 3.64 -1.93 -1.85 116.57 117.32 1s96 h LYS 17 Ca -0.29 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.12 1s96 h LYS 17 Cb 1.00 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 1s96 h LYS 17 CO 0.40 -0.03 0.42 1.03 -2.27 0.00 0.00 179.45 179.01 1s96 h SER 18 N -0.04 0.68 -0.51 4.20 0.87 -1.97 -1.69 113.55 115.09 1s96 h SER 18 Ca 0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1s96 h SER 18 Cb 0.09 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1s96 h SER 18 CO -0.08 0.47 0.23 0.28 -0.53 0.00 0.00 176.83 177.19 1s96 h SER 19 N 0.82 0.69 -0.81 6.23 0.02 -1.96 -1.04 113.55 117.50 1s96 h SER 19 Ca 0.28 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1s96 h SER 19 Cb 0.05 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1s96 h SER 19 CO -0.12 0.65 0.38 -0.07 -1.14 0.00 0.00 176.83 176.53 1s96 h LEU 20 N 0.69 1.07 -0.27 5.07 3.38 -0.77 0.42 115.31 124.89 1s96 h LEU 20 Ca 0.17 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1s96 h LEU 20 Cb 0.16 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1s96 h LEU 20 CO -0.02 0.91 -0.44 0.40 0.09 0.00 0.00 178.44 179.38 1s96 h ILE 21 N 1.16 1.29 -0.75 1.22 2.04 -1.15 -1.27 117.51 120.05 1s96 h ILE 21 Ca 0.28 -1.63 -0.04 0.00 1.00 0.00 0.00 64.86 64.47 1s96 h ILE 21 Cb 0.13 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1s96 h ILE 21 CO -0.03 0.53 0.33 1.56 0.00 0.00 0.00 178.15 180.53 1s96 h GLN 22 N 0.53 1.11 -0.62 2.37 1.08 -0.61 -1.51 115.11 117.46 1s96 h GLN 22 Ca 0.02 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1s96 h GLN 22 Cb 1.04 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.25 1s96 h GLN 22 CO 0.10 0.89 0.31 0.00 -0.95 0.00 0.00 178.83 179.18 1s96 h ALA 23 N 1.17 1.38 0.02 3.87 0.00 0.04 -2.29 119.26 123.44 1s96 h ALA 23 Ca 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1s96 h ALA 23 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s96 h ALA 23 CO -0.03 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 1s96 h LEU 24 N 0.88 -0.02 -2.36 0.00 5.85 -0.27 -2.87 115.31 116.50 1s96 h LEU 24 Ca 0.22 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1s96 h LEU 24 Cb 0.07 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1s96 h LEU 24 CO -0.03 0.07 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.06 1s96 h LEU 25 N -0.11 0.00 -0.89 2.25 4.07 -0.83 -0.97 115.31 118.83 1s96 h LEU 25 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1s96 h LEU 25 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1s96 h LEU 25 CO 0.00 0.01 0.00 0.11 -1.08 0.00 0.00 178.44 177.48 1s96 h LYS 26 N 0.00 0.00 -0.03 1.13 1.57 -1.20 -3.28 116.57 114.77 1s96 h LYS 26 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s96 h LYS 26 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1s96 h LYS 26 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 1s96 n THR 27 N -2.57 0.49 -5.11 -0.16 -2.24 -0.38 -5.00 114.28 99.30 1s96 n THR 27 Ca 0.02 -0.74 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 1s96 n THR 27 Cb 0.28 0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 1s96 n THR 27 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1s96 s GLN 28 N -0.55 1.85 0.64 -0.78 -0.21 -1.11 -5.12 119.66 114.38 1s96 s GLN 28 Ca 0.03 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 1s96 s GLN 28 Cb 0.02 -1.81 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 1s96 s GLN 28 CO 0.02 0.49 1.14 -2.14 -2.12 0.00 0.00 175.29 172.68 1s96 s PRO 29 N -0.62 2.80 0.52 2.91 0.02 -1.26 -4.78 135.00 134.59 1s96 s PRO 29 Ca 0.09 1.54 0.35 0.00 0.02 0.00 0.00 61.00 62.99 1s96 s PRO 29 Cb -0.09 -1.94 1.64 0.00 0.02 0.00 0.00 34.50 34.13 1s96 s PRO 29 CO -0.01 -1.28 2.04 -0.07 -0.33 0.00 0.00 177.00 177.36 1s96 h LEU 30 N 0.26 0.00 -0.17 -5.54 3.38 -1.94 0.75 115.31 112.05 1s96 h LEU 30 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1s96 h LEU 30 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1s96 h LEU 30 CO 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 179.01 1s96 n TYR 31 N -2.88 0.00 -0.08 1.13 0.18 -1.26 -3.94 117.16 110.31 1s96 n TYR 31 Ca -0.01 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 1s96 n TYR 31 Cb 0.19 -0.16 -0.07 0.00 -0.38 0.00 0.00 39.34 38.93 1s96 n TYR 31 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1s96 n ASP 32 N -0.98 2.07 -3.88 9.48 8.00 0.16 -4.46 116.55 126.93 1s96 n ASP 32 Ca 0.17 0.04 -0.18 0.00 0.71 0.00 0.00 54.79 55.53 1s96 n ASP 32 Cb 0.24 -0.35 -0.16 0.00 -0.02 0.00 0.00 41.12 40.83 1s96 n ASP 32 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s96 s THR 33 N -2.30 0.40 0.04 -3.53 2.01 -0.62 0.28 115.64 111.91 1s96 s THR 33 Ca -0.22 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 1s96 s THR 33 Cb 0.07 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1s96 s THR 33 CO 0.32 0.18 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.30 1s96 s GLN 34 N 0.73 0.48 0.23 4.92 -0.21 0.02 -4.27 119.66 121.57 1s96 s GLN 34 Ca -0.09 -0.94 -0.08 0.00 0.02 0.00 0.00 55.36 54.28 1s96 s GLN 34 Cb -0.12 0.13 -0.06 0.00 1.00 0.00 0.00 33.01 33.96 1s96 s GLN 34 CO -0.00 -0.07 0.53 0.54 -2.12 0.00 0.00 175.29 174.16 1s96 s VAL 35 N -2.72 4.99 0.41 1.09 0.11 -1.26 -1.18 120.40 121.83 1s96 s VAL 35 Ca -0.04 0.31 -0.27 0.00 -2.93 0.00 0.00 61.98 59.06 1s96 s VAL 35 Cb -0.01 -3.65 -0.10 0.00 -1.53 0.00 0.00 36.38 31.10 1s96 s VAL 35 CO -0.05 -0.12 1.44 -0.24 -3.33 0.00 0.00 175.10 172.80 1s96 n SER 36 N -0.32 3.48 -4.36 3.54 2.88 -0.19 -4.82 113.62 113.83 1s96 n SER 36 Ca -0.00 1.17 -0.36 0.00 -1.33 0.00 0.00 58.87 58.35 1s96 n SER 36 Cb 0.53 -1.60 -0.13 0.00 -0.75 0.00 0.00 64.21 62.25 1s96 n SER 36 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1s96 s VAL 37 N -1.16 3.84 0.42 2.46 1.01 -1.26 -5.00 120.40 120.72 1s96 s VAL 37 Ca 0.57 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1s96 s VAL 37 Cb -0.47 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1s96 s VAL 37 CO 0.61 0.28 0.69 -0.44 0.00 0.00 0.00 175.10 176.23 1s96 s SER 38 N 1.52 6.28 0.20 3.32 0.01 -1.26 -4.64 113.70 119.13 1s96 s SER 38 Ca 0.05 0.73 -0.16 0.00 1.31 0.00 0.00 55.95 57.88 1s96 s SER 38 Cb -0.15 -2.16 -0.08 0.00 0.21 0.00 0.00 66.02 63.84 1s96 s SER 38 CO 0.01 -0.46 0.63 -1.00 0.41 0.00 0.00 173.24 172.83 1s96 s HIS 39 N -2.56 3.58 0.06 2.43 3.76 0.70 -0.20 115.29 123.06 1s96 s HIS 39 Ca 0.44 1.17 -0.08 0.00 -0.15 0.00 0.00 55.06 56.45 1s96 s HIS 39 Cb -0.10 -2.46 -0.00 0.00 1.11 0.00 0.00 32.58 31.12 1s96 s HIS 39 CO 0.41 0.35 0.16 -0.08 -0.85 0.00 0.00 174.74 174.73 1s96 s THR 40 N -1.57 0.14 -1.00 1.30 -1.32 0.28 -1.42 115.64 112.04 1s96 s THR 40 Ca 0.42 -1.11 0.20 0.00 -1.21 0.00 0.00 61.69 59.99 1s96 s THR 40 Cb -0.15 -1.13 -0.21 0.00 -1.51 0.00 0.00 72.50 69.50 1s96 s THR 40 CO 0.20 -0.62 0.87 0.35 -2.21 0.00 0.00 174.62 173.21 1s96 n THR 41 N 0.35 0.00 -1.21 5.08 -2.24 -0.99 -1.45 114.28 113.81 1s96 n THR 41 Ca -0.17 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 1s96 n THR 41 Cb 0.60 1.01 0.10 0.00 -2.10 0.00 0.00 70.33 69.95 1s96 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s96 s ARG 42 N -2.90 2.03 0.32 -0.78 1.70 -1.26 -4.76 118.95 113.30 1s96 s ARG 42 Ca 0.08 1.15 -0.27 0.00 -0.47 0.00 0.00 55.73 56.22 1s96 s ARG 42 Cb 0.15 -1.87 -0.09 0.00 -0.57 0.00 0.00 34.95 32.57 1s96 s ARG 42 CO 0.82 -1.80 1.06 -0.65 -1.08 0.00 0.00 175.30 173.65 1s96 s GLN 43 N -4.89 4.47 0.50 3.89 -1.52 -1.26 -4.79 119.66 116.06 1s96 s GLN 43 Ca 0.62 1.65 -0.22 0.00 -1.95 0.00 0.00 55.36 55.45 1s96 s GLN 43 Cb -0.18 -2.93 -0.06 0.00 -0.22 0.00 0.00 33.01 29.62 1s96 s GLN 43 CO 0.56 0.10 1.27 -2.14 -0.25 0.00 0.00 175.29 174.83 1s96 s PRO 44 N -1.85 3.45 0.43 2.91 0.02 -1.26 -5.01 135.00 133.69 1s96 s PRO 44 Ca 0.50 2.02 0.08 0.00 0.02 0.00 0.00 61.00 63.62 1s96 s PRO 44 Cb -0.27 -2.34 -0.00 0.00 0.02 0.00 0.00 34.50 31.90 1s96 s PRO 44 CO 0.34 -0.88 0.45 1.03 -0.33 0.00 0.00 177.00 177.62 1s96 s ARG 45 N -2.79 2.58 0.39 5.54 0.52 -1.26 -5.01 118.95 118.92 1s96 s ARG 45 Ca 0.67 -1.50 -0.27 0.00 -0.52 0.00 0.00 55.73 54.12 1s96 s ARG 45 Cb -0.35 -2.47 -0.11 0.00 0.52 0.00 0.00 34.95 32.55 1s96 s ARG 45 CO 0.42 -0.27 1.34 -2.30 0.02 0.00 0.00 175.30 174.50 1s96 n PRO 46 N -1.67 2.18 0.00 3.54 -0.02 -1.26 -1.86 135.00 135.91 1s96 n PRO 46 Ca 0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1s96 n PRO 46 Cb 0.61 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1s96 n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s96 n GLY 47 N 0.70 2.83 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.00 1s96 n GLY 47 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1s96 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s96 s GLU 48 N -0.11 4.15 -0.08 1.61 2.02 -0.78 -5.02 118.70 120.49 1s96 s GLU 48 Ca 0.00 1.67 0.04 0.00 0.02 0.00 0.00 54.97 56.70 1s96 s GLU 48 Cb 0.00 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 1s96 s GLU 48 CO 0.00 -0.19 -0.21 0.08 0.02 0.00 0.00 175.26 174.95 1s96 s VAL 49 N -1.51 1.83 0.27 2.63 1.01 -1.26 -4.84 120.40 118.52 1s96 s VAL 49 Ca 0.57 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1s96 s VAL 49 Cb -0.26 -1.58 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 1s96 s VAL 49 CO 0.33 0.51 1.62 -2.28 0.00 0.00 0.00 175.10 175.28 1s96 s HIS 50 N 0.27 2.79 0.00 5.22 2.46 -1.26 -0.79 115.29 123.99 1s96 s HIS 50 Ca -0.14 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.07 1s96 s HIS 50 Cb -0.16 -4.08 0.00 0.00 -0.13 0.00 0.00 32.58 28.21 1s96 s HIS 50 CO 0.06 -3.75 0.00 0.41 -2.47 0.00 0.00 174.74 169.00 1s96 n GLY 51 N 2.60 2.59 0.52 1.59 0.00 0.12 -4.81 105.19 107.80 1s96 n GLY 51 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 1s96 n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s96 n GLU 52 N -2.00 0.30 0.04 1.61 2.13 0.03 -4.81 120.64 117.94 1s96 n GLU 52 Ca 0.00 0.12 -0.19 0.00 0.66 0.00 0.00 57.16 57.75 1s96 n GLU 52 Cb 0.00 -1.02 -0.14 0.00 0.27 0.00 0.00 31.44 30.55 1s96 n GLU 52 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1s96 h HIS 53 N -0.56 0.49 -2.83 4.31 3.86 -1.53 -3.47 115.15 115.42 1s96 h HIS 53 Ca -0.04 -0.36 0.02 0.00 -1.16 0.00 0.00 60.37 58.84 1s96 h HIS 53 Cb 0.63 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 28.96 1s96 h HIS 53 CO -0.22 1.52 0.28 0.71 0.86 0.00 0.00 177.93 181.08 1s96 s TYR 54 N -2.59 -0.46 -0.22 2.45 1.51 -1.25 -4.53 117.35 112.25 1s96 s TYR 54 Ca -0.14 0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 55.98 1s96 s TYR 54 Cb 0.06 0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 42.46 1s96 s TYR 54 CO 0.83 -0.81 0.57 -0.06 -1.11 0.00 0.00 175.55 174.97 1s96 s PHE 55 N -3.62 3.33 -0.38 2.71 0.40 0.72 -0.70 117.98 120.43 1s96 s PHE 55 Ca 0.03 0.79 -0.16 0.00 -0.60 0.00 0.00 56.93 56.98 1s96 s PHE 55 Cb -0.01 -2.75 0.01 0.00 0.51 0.00 0.00 43.02 40.77 1s96 s PHE 55 CO -0.10 -0.21 0.41 -0.06 0.70 0.00 0.00 175.22 175.95 1s96 s PHE 56 N 2.04 3.19 0.36 0.36 0.08 -1.26 -0.56 117.98 122.20 1s96 s PHE 56 Ca 0.25 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.14 1s96 s PHE 56 Cb -0.16 -2.79 -0.07 0.00 -0.57 0.00 0.00 43.02 39.43 1s96 s PHE 56 CO 0.09 -0.58 0.04 0.14 -0.10 0.00 0.00 175.22 174.81 1s96 s VAL 57 N 2.09 1.50 0.51 -0.44 -7.23 -0.53 -4.98 120.40 111.33 1s96 s VAL 57 Ca 0.12 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1s96 s VAL 57 Cb -0.17 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 33.95 1s96 s VAL 57 CO 0.13 0.00 0.71 0.54 -0.31 0.00 0.00 175.10 176.16 1s96 s ASN 58 N -3.58 5.32 0.46 4.85 2.20 -1.26 -3.89 114.94 119.03 1s96 s ASN 58 Ca 0.35 -0.44 0.13 0.00 -0.94 0.00 0.00 52.86 51.96 1s96 s ASN 58 Cb 0.09 -0.40 1.06 0.00 -2.00 0.00 0.00 41.25 40.00 1s96 s ASN 58 CO 0.16 -1.09 2.07 0.45 -2.94 0.00 0.00 177.10 175.76 1s96 h HIS 59 N 0.30 0.16 -0.04 1.54 3.86 -1.95 -1.79 115.15 117.23 1s96 h HIS 59 Ca -0.38 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.72 1s96 h HIS 59 Cb 1.28 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.71 1s96 h HIS 59 CO 0.34 0.16 -0.43 -0.44 0.86 0.00 0.00 177.93 178.42 1s96 h ASP 60 N 0.16 0.45 -0.48 2.45 3.32 -1.98 -0.95 116.42 119.39 1s96 h ASP 60 Ca 0.04 -0.71 0.07 0.00 0.02 0.00 0.00 57.03 56.46 1s96 h ASP 60 Cb 0.09 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 1s96 h ASP 60 CO -0.00 1.09 0.13 -0.33 -1.72 0.00 0.00 179.24 178.40 1s96 h GLU 61 N -0.16 0.27 -0.43 3.56 5.08 -1.92 0.69 114.58 121.66 1s96 h GLU 61 Ca -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1s96 h GLU 61 Cb 1.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1s96 h GLU 61 CO 0.09 0.18 0.23 0.35 -1.00 0.00 0.00 179.01 178.86 1s96 h PHE 62 N 0.28 0.60 -0.18 4.33 3.57 -1.29 -2.18 116.94 122.06 1s96 h PHE 62 Ca 0.23 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 1s96 h PHE 62 Cb 0.28 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1s96 h PHE 62 CO -0.19 0.46 -0.30 0.87 -2.23 0.00 0.00 178.31 176.92 1s96 h LYS 63 N 0.56 0.36 -1.58 1.11 1.57 -0.18 -0.12 116.57 118.29 1s96 h LYS 63 Ca 0.15 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1s96 h LYS 63 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1s96 h LYS 63 CO -0.02 0.63 0.00 -1.91 -0.57 0.00 0.00 179.45 177.57 1s96 n GLU 64 N -4.10 0.11 0.00 3.15 0.00 0.23 -1.09 120.64 118.93 1s96 n GLU 64 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1s96 n GLU 64 Cb 0.42 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1s96 n GLU 64 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1s96 n ILE 66 N 0.86 0.00 0.08 6.31 5.41 -0.06 -1.86 119.36 130.09 1s96 n ILE 66 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1s96 n ILE 66 Cb 0.05 0.00 0.24 0.00 -0.71 0.00 0.00 39.64 39.22 1s96 n ILE 66 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1s96 h SER 67 N 0.00 0.31 -0.34 4.38 4.64 -1.37 -0.67 113.55 120.49 1s96 h SER 67 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1s96 h SER 67 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1s96 h SER 67 CO 0.00 0.63 0.00 -2.11 -0.87 0.00 0.00 176.83 174.48 1s96 n ARG 68 N -4.08 2.86 -3.93 4.77 1.85 -0.78 -4.90 116.66 112.45 1s96 n ARG 68 Ca -0.01 -1.69 -0.30 0.00 -1.00 0.00 0.00 57.85 54.85 1s96 n ARG 68 Cb 0.43 -1.77 0.02 0.00 -1.05 0.00 0.00 32.46 30.09 1s96 n ARG 68 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1s96 n ASP 69 N 0.44 -4.18 0.00 2.89 2.03 -0.26 -4.86 116.55 112.62 1s96 n ASP 69 Ca 0.15 -0.81 0.12 0.00 0.52 0.00 0.00 54.79 54.77 1s96 n ASP 69 Cb 0.67 -3.76 0.53 0.00 -0.72 0.00 0.00 41.12 37.84 1s96 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s96 n ALA 70 N -4.61 2.14 -2.70 -1.67 0.00 -1.26 -4.86 120.51 107.55 1s96 n ALA 70 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1s96 n ALA 70 Cb 0.54 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 1s96 n ALA 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s96 s PHE 71 N -2.97 3.18 0.16 0.00 0.08 -1.26 -0.57 117.98 116.61 1s96 s PHE 71 Ca 0.13 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.38 1s96 s PHE 71 Cb 0.16 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 1s96 s PHE 71 CO 0.45 0.49 1.38 -0.07 -0.10 0.00 0.00 175.22 177.37 1s96 h LEU 72 N 4.89 0.32 -7.19 -0.37 3.38 -0.42 -3.45 115.31 112.47 1s96 h LEU 72 Ca -0.51 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.16 1s96 h LEU 72 Cb 1.19 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 1s96 h LEU 72 CO 0.56 1.03 0.05 -1.83 0.09 0.00 0.00 178.44 178.35 1s96 s GLU 73 N -3.29 1.08 0.06 1.13 4.04 -1.25 -3.21 118.70 117.25 1s96 s GLU 73 Ca -0.04 -0.33 -0.27 0.00 0.04 0.00 0.00 54.97 54.38 1s96 s GLU 73 Cb 0.10 0.49 0.08 0.00 0.02 0.00 0.00 34.13 34.82 1s96 s GLU 73 CO 0.83 -0.41 0.69 -3.38 -1.84 0.00 0.00 175.26 171.16 1s96 s HIS 74 N -2.82 -0.53 0.15 4.83 -3.43 -1.26 -0.84 115.29 111.39 1s96 s HIS 74 Ca -0.03 0.55 -0.20 0.00 -0.80 0.00 0.00 55.06 54.58 1s96 s HIS 74 Cb -0.00 0.51 0.05 0.00 -1.43 0.00 0.00 32.58 31.71 1s96 s HIS 74 CO -0.05 -0.70 0.51 0.00 -2.00 0.00 0.00 174.74 172.50 1s96 s ALA 75 N -2.77 -1.29 -0.14 -1.38 0.00 -0.44 -4.98 121.76 110.76 1s96 s ALA 75 Ca -0.02 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1s96 s ALA 75 Cb -0.01 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 1s96 s ALA 75 CO -0.05 -0.72 -0.02 -2.00 0.00 0.00 0.00 175.76 172.97 1s96 s GLU 76 N -3.78 3.52 -0.15 0.00 2.12 -1.26 -0.82 118.70 118.33 1s96 s GLU 76 Ca 0.02 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 54.83 1s96 s GLU 76 Cb 0.00 -2.90 0.05 0.00 0.26 0.00 0.00 34.13 31.54 1s96 s GLU 76 CO -0.12 0.36 0.08 0.08 -0.54 0.00 0.00 175.26 175.12 1s96 s VAL 77 N 0.05 -0.09 -1.14 3.70 1.01 0.11 -4.88 120.40 119.16 1s96 s VAL 77 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1s96 s VAL 77 Cb -0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1s96 s VAL 77 CO 0.02 -0.19 0.89 0.49 0.00 0.00 0.00 175.10 176.31 1s96 n PHE 78 N 5.28 -2.24 -2.51 5.22 0.99 -1.26 -2.84 117.46 120.10 1s96 n PHE 78 Ca -0.06 0.82 -0.19 0.00 -0.00 0.00 0.00 57.45 58.02 1s96 n PHE 78 Cb 0.49 -4.31 -0.00 0.00 -1.00 0.00 0.00 39.48 34.66 1s96 n PHE 78 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1s96 n GLY 79 N -1.32 -0.50 3.15 1.37 0.00 -1.26 -4.98 105.19 101.65 1s96 n GLY 79 Ca -0.16 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1s96 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s96 s ASN 80 N -2.14 -0.15 0.03 1.61 0.01 -1.13 -4.99 114.94 108.18 1s96 s ASN 80 Ca 0.05 0.16 -0.04 0.00 -0.71 0.00 0.00 52.86 52.32 1s96 s ASN 80 Cb -0.02 0.36 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 1s96 s ASN 80 CO 0.06 -0.28 0.24 -0.31 -1.51 0.00 0.00 177.10 175.30 1s96 s TYR 81 N -0.75 3.54 0.01 2.20 2.02 -1.26 0.08 117.35 123.19 1s96 s TYR 81 Ca -0.08 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.07 1s96 s TYR 81 Cb -0.05 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.62 1s96 s TYR 81 CO 0.02 0.60 -0.08 0.71 -1.57 0.00 0.00 175.55 175.23 1s96 s TYR 82 N -1.39 0.69 0.21 2.71 1.51 -0.00 -2.36 117.35 118.71 1s96 s TYR 82 Ca 0.31 -0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 55.94 1s96 s TYR 82 Cb -0.13 -0.43 0.05 0.00 -0.11 0.00 0.00 41.96 41.34 1s96 s TYR 82 CO 0.20 -0.02 0.67 0.20 -1.11 0.00 0.00 175.55 175.49 1s96 s GLY 83 N -0.51 -0.38 -0.27 0.71 0.00 -0.51 -1.33 107.32 105.03 1s96 s GLY 83 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.83 1s96 s GLY 83 CO 0.00 0.05 0.03 -1.59 0.00 0.00 0.00 173.10 171.59 1s96 s THR 84 N -3.79 3.61 0.07 0.90 2.01 -0.02 -0.21 115.64 118.21 1s96 s THR 84 Ca 0.06 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 1s96 s THR 84 Cb -0.03 -2.82 -0.07 0.00 0.01 0.00 0.00 72.50 69.58 1s96 s THR 84 CO -0.04 0.16 1.43 -0.55 -0.69 0.00 0.00 174.62 174.93 1s96 s SER 85 N 1.45 6.80 0.11 3.53 0.15 -1.26 0.34 113.70 124.82 1s96 s SER 85 Ca 0.02 2.28 -0.21 0.00 0.70 0.00 0.00 55.95 58.74 1s96 s SER 85 Cb -0.17 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.47 1s96 s SER 85 CO -0.00 -0.71 1.75 -0.09 1.20 0.00 0.00 173.24 175.40 1s96 h ARG 86 N 7.35 0.18 -0.30 5.44 2.43 -1.14 -2.07 114.38 126.27 1s96 h ARG 86 Ca -0.41 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1s96 h ARG 86 Cb 1.20 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1s96 h ARG 86 CO 0.89 0.13 0.08 0.93 -1.51 0.00 0.00 179.97 180.49 1s96 h GLU 87 N 0.17 0.19 -0.69 0.20 5.08 -1.92 -0.41 114.58 117.21 1s96 h GLU 87 Ca 0.05 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1s96 h GLU 87 Cb -0.01 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 1s96 h GLU 87 CO -0.01 0.13 0.39 0.00 -1.00 0.00 0.00 179.01 178.52 1s96 h ALA 88 N 1.21 0.92 -0.33 3.43 0.00 -1.88 -0.28 119.26 122.33 1s96 h ALA 88 Ca 0.14 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1s96 h ALA 88 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s96 h ALA 88 CO -0.16 0.08 0.04 0.82 0.00 0.00 0.00 179.25 180.02 1s96 h ILE 89 N 0.72 1.24 -0.25 0.00 1.08 -0.91 -2.93 117.51 116.47 1s96 h ILE 89 Ca 0.31 -0.85 -0.10 0.00 -0.39 0.00 0.00 64.86 63.82 1s96 h ILE 89 Cb 0.18 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1s96 h ILE 89 CO -0.18 0.28 -0.29 -0.33 -0.69 0.00 0.00 178.15 176.95 1s96 h GLU 90 N 0.38 0.49 -0.75 2.37 5.08 -0.57 -1.25 114.58 120.34 1s96 h GLU 90 Ca 0.10 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1s96 h GLU 90 Cb 0.37 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1s96 h GLU 90 CO 0.01 0.74 0.29 1.96 -1.00 0.00 0.00 179.01 181.00 1s96 h GLN 91 N 0.43 1.13 -0.05 2.33 4.20 -1.01 0.52 115.11 122.66 1s96 h GLN 91 Ca 0.06 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1s96 h GLN 91 Cb 0.72 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1s96 h GLN 91 CO 0.06 0.93 -0.07 0.28 -0.67 0.00 0.00 178.83 179.36 1s96 h VAL 92 N 1.09 1.40 -0.79 -0.54 2.07 -1.26 -3.11 116.25 115.10 1s96 h VAL 92 Ca 0.25 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1s96 h VAL 92 Cb 0.23 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1s96 h VAL 92 CO -0.02 0.36 0.51 -0.07 0.02 0.00 0.00 177.57 178.37 1s96 h LEU 93 N -0.32 0.75 -0.57 2.57 3.38 -1.16 -0.04 115.31 119.92 1s96 h LEU 93 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s96 h LEU 93 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1s96 h LEU 93 CO 0.02 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1s96 n ALA 94 N -2.43 1.35 1.00 1.53 0.00 0.17 -0.82 120.51 121.30 1s96 n ALA 94 Ca 0.12 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1s96 n ALA 94 Cb 0.21 -1.25 0.32 0.00 0.00 0.00 0.00 19.45 18.73 1s96 n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s96 n THR 95 N -1.91 0.24 -0.73 0.00 -2.24 -0.03 -4.84 114.28 104.78 1s96 n THR 95 Ca 0.01 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1s96 n THR 95 Cb 0.11 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1s96 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s96 n GLY 96 N 1.26 0.66 3.80 3.38 0.00 -0.00 -4.93 105.19 109.36 1s96 n GLY 96 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1s96 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s96 s VAL 97 N -2.19 4.87 0.21 1.61 1.01 -1.23 -4.10 120.40 120.58 1s96 s VAL 97 Ca 0.00 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 1s96 s VAL 97 Cb 0.00 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 1s96 s VAL 97 CO 0.00 0.51 0.89 -1.81 0.00 0.00 0.00 175.10 174.69 1s96 s ASP 98 N -0.76 7.56 -0.05 3.32 1.01 0.14 -4.09 116.67 123.79 1s96 s ASP 98 Ca 0.28 1.84 0.06 0.00 0.71 0.00 0.00 52.55 55.45 1s96 s ASP 98 Cb -0.18 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 1s96 s ASP 98 CO 0.17 0.16 -0.24 -0.69 0.21 0.00 0.00 175.17 174.78 1s96 s VAL 99 N -1.08 2.21 -0.21 -1.27 1.01 -0.26 -0.80 120.40 119.99 1s96 s VAL 99 Ca 0.40 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1s96 s VAL 99 Cb -0.25 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1s96 s VAL 99 CO 0.30 0.57 -0.01 -0.36 0.00 0.00 0.00 175.10 175.61 1s96 s PHE 100 N -0.34 3.02 -0.34 5.22 0.40 -0.33 0.65 117.98 126.26 1s96 s PHE 100 Ca 0.02 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1s96 s PHE 100 Cb -0.12 -2.10 0.10 0.00 0.51 0.00 0.00 43.02 41.40 1s96 s PHE 100 CO 0.02 -0.33 0.05 -1.17 0.70 0.00 0.00 175.22 174.50 1s96 s LEU 101 N 1.17 4.72 -0.18 -0.37 2.96 0.58 -1.03 118.68 126.54 1s96 s LEU 101 Ca 0.03 -2.09 -0.29 0.00 -0.22 0.00 0.00 54.13 51.55 1s96 s LEU 101 Cb -0.14 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.90 1s96 s LEU 101 CO 0.01 -0.38 1.08 -0.62 -1.32 0.00 0.00 176.35 175.11 1s96 s ASP 102 N 1.00 7.11 0.10 3.68 -1.08 -1.26 -0.96 116.67 125.27 1s96 s ASP 102 Ca 0.09 1.49 -0.21 0.00 -0.52 0.00 0.00 52.55 53.40 1s96 s ASP 102 Cb -0.19 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.78 1s96 s ASP 102 CO -0.07 -0.62 0.53 -0.51 0.52 0.00 0.00 175.17 175.01 1s96 s ILE 103 N 2.88 0.03 1.02 4.11 1.10 -0.47 -4.94 121.20 124.93 1s96 s ILE 103 Ca 0.47 -0.22 -0.16 0.00 -0.51 0.00 0.00 60.65 60.23 1s96 s ILE 103 Cb -0.17 -1.03 0.21 0.00 0.15 0.00 0.00 42.46 41.62 1s96 s ILE 103 CO 0.11 -0.12 1.23 1.51 -2.11 0.00 0.00 174.94 175.56 1s96 s ASP 104 N -2.44 2.55 0.50 4.50 -4.77 -1.26 -4.14 116.67 111.61 1s96 s ASP 104 Ca -0.01 0.47 0.26 0.00 -3.30 0.00 0.00 52.55 49.98 1s96 s ASP 104 Cb -0.00 -0.65 1.29 0.00 -1.09 0.00 0.00 42.92 42.47 1s96 s ASP 104 CO -0.08 -3.10 1.99 4.11 0.70 0.00 0.00 175.17 178.80 1s96 h TRP 105 N -1.89 0.00 0.12 2.11 5.08 -1.95 -0.93 115.95 118.50 1s96 h TRP 105 Ca -0.45 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.51 1s96 h TRP 105 Cb 1.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 1s96 h TRP 105 CO -1.24 0.15 -0.06 0.37 -1.28 0.00 0.00 178.44 176.39 1s96 h GLN 106 N 0.00 -0.16 -0.28 0.12 5.75 -1.99 -0.77 115.11 117.78 1s96 h GLN 106 Ca -0.00 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1s96 h GLN 106 Cb 0.47 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1s96 h GLN 106 CO 0.02 0.31 -0.01 0.78 -2.65 0.00 0.00 178.83 177.28 1s96 h GLY 107 N -0.76 0.46 0.99 2.39 0.00 -1.90 -1.85 103.07 102.41 1s96 h GLY 107 Ca -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1s96 h GLY 107 CO 0.03 0.25 0.32 0.00 0.00 0.00 0.00 176.54 177.13 1s96 h ALA 108 N 1.58 0.79 -0.46 3.60 0.00 -1.05 0.42 119.26 124.14 1s96 h ALA 108 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1s96 h ALA 108 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1s96 h ALA 108 CO 0.01 0.33 0.08 1.96 0.00 0.00 0.00 179.25 181.63 1s96 h GLN 109 N 0.84 0.71 -0.17 0.00 4.20 -0.46 -1.71 115.11 118.51 1s96 h GLN 109 Ca 0.22 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1s96 h GLN 109 Cb 0.08 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1s96 h GLN 109 CO -0.03 0.67 -0.00 1.96 -0.67 0.00 0.00 178.83 180.75 1s96 h GLN 110 N 0.68 0.31 -0.24 1.46 4.20 -0.47 -2.96 115.11 118.09 1s96 h GLN 110 Ca 0.15 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1s96 h GLN 110 Cb 0.30 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1s96 h GLN 110 CO 0.00 0.53 0.02 0.82 -0.67 0.00 0.00 178.83 179.53 1s96 h ILE 111 N 0.06 0.86 -0.63 2.54 2.04 -0.80 -2.55 117.51 119.03 1s96 h ILE 111 Ca 0.05 -0.04 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1s96 h ILE 111 Cb 0.39 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1s96 h ILE 111 CO 0.01 0.02 0.42 0.03 0.00 0.00 0.00 178.15 178.63 1s96 h ARG 112 N 0.11 0.39 -0.12 2.37 3.08 -1.25 -1.67 114.38 117.29 1s96 h ARG 112 Ca 0.11 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1s96 h ARG 112 Cb 0.13 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1s96 h ARG 112 CO -0.17 0.26 -0.41 1.96 -1.07 0.00 0.00 179.97 180.55 1s96 h GLN 113 N 0.41 0.27 -1.00 0.04 4.20 -1.29 -3.14 115.11 114.61 1s96 h GLN 113 Ca 0.29 -0.13 -0.38 0.00 0.06 0.00 0.00 58.65 58.49 1s96 h GLN 113 Cb 0.60 -0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.15 1s96 h GLN 113 CO -0.08 0.64 0.49 1.63 -0.67 0.00 0.00 178.83 180.83 1s96 n LYS 114 N -4.03 1.96 0.00 1.46 5.02 -0.63 -5.13 118.16 116.81 1s96 n LYS 114 Ca -0.01 -2.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1s96 n LYS 114 Cb 0.48 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1s96 n LYS 114 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1s96 n PRO 116 N -0.71 0.00 0.00 1.97 -0.02 -1.19 -5.07 135.00 129.97 1s96 n PRO 116 Ca 0.44 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 62.07 1s96 n PRO 116 Cb 1.37 0.00 0.63 0.00 -0.02 0.00 0.00 33.50 35.49 1s96 n PRO 116 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1s96 n HIS 117 N -0.25 0.00 -2.11 6.00 1.44 -1.26 -4.88 115.22 114.16 1s96 n HIS 117 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1s96 n HIS 117 Cb 0.00 -0.24 -0.02 0.00 0.12 0.00 0.00 29.99 29.85 1s96 n HIS 117 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s96 s ALA 118 N -2.57 3.51 0.16 1.59 0.00 -1.26 -4.75 121.76 118.44 1s96 s ALA 118 Ca 0.27 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 1s96 s ALA 118 Cb 0.20 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1s96 s ALA 118 CO 0.49 -0.65 0.37 1.03 0.00 0.00 0.00 175.76 177.00 1s96 s ARG 119 N -1.53 3.57 0.02 0.00 1.81 0.82 -4.95 118.95 118.69 1s96 s ARG 119 Ca 0.51 -0.20 0.03 0.00 -1.72 0.00 0.00 55.73 54.35 1s96 s ARG 119 Cb -0.40 -2.86 -0.01 0.00 -0.45 0.00 0.00 34.95 31.23 1s96 s ARG 119 CO 0.51 0.45 -0.11 -1.54 -0.68 0.00 0.00 175.30 173.94 1s96 s SER 120 N -2.68 1.25 -0.06 0.23 1.04 -1.26 0.08 113.70 112.29 1s96 s SER 120 Ca 0.40 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.53 1s96 s SER 120 Cb -0.12 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.92 1s96 s SER 120 CO 0.26 0.04 -0.14 -0.63 0.98 0.00 0.00 173.24 173.75 1s96 s ILE 121 N -0.60 1.24 -0.02 -1.02 1.01 0.17 -1.31 121.20 120.68 1s96 s ILE 121 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1s96 s ILE 121 Cb -0.06 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1s96 s ILE 121 CO 0.00 0.37 -0.06 0.12 0.00 0.00 0.00 174.94 175.37 1s96 s PHE 122 N 0.40 2.92 -0.09 3.97 5.36 0.07 -1.92 117.98 128.69 1s96 s PHE 122 Ca -0.10 -0.01 0.04 0.00 -0.96 0.00 0.00 56.93 55.89 1s96 s PHE 122 Cb -0.14 -1.64 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 1s96 s PHE 122 CO 0.03 0.37 -0.21 0.42 -1.46 0.00 0.00 175.22 174.37 1s96 s ILE 123 N -0.95 1.78 0.26 3.12 1.01 -0.73 -1.05 121.20 124.64 1s96 s ILE 123 Ca 0.16 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 60.05 1s96 s ILE 123 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1s96 s ILE 123 CO 0.06 0.50 -0.07 -0.76 0.00 0.00 0.00 174.94 174.67 1s96 s LEU 124 N 0.38 3.00 0.73 2.97 1.43 0.13 -4.28 118.68 123.05 1s96 s LEU 124 Ca -0.16 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1s96 s LEU 124 Cb -0.17 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.58 1s96 s LEU 124 CO 0.07 0.02 1.07 -2.16 0.23 0.00 0.00 176.35 175.58 1s96 s PRO 125 N -3.56 2.23 0.00 1.29 0.04 -1.26 -0.49 135.00 133.25 1s96 s PRO 125 Ca 0.30 -0.04 0.26 0.00 0.04 0.00 0.00 61.00 61.57 1s96 s PRO 125 Cb -0.06 -2.09 0.75 0.00 0.04 0.00 0.00 34.50 33.14 1s96 s PRO 125 CO 0.18 -1.30 1.56 -0.35 0.04 0.00 0.00 177.00 177.13 1s96 n PRO 126 N -3.04 1.24 -3.63 0.56 -0.04 -1.25 -4.67 135.00 124.16 1s96 n PRO 126 Ca 0.08 -0.78 -0.03 0.00 -0.04 0.00 0.00 63.50 62.72 1s96 n PRO 126 Cb 0.60 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 1s96 n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s96 s SER 127 N -2.30 -0.17 0.19 3.54 1.04 -1.26 -4.98 113.70 109.75 1s96 s SER 127 Ca 0.29 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 1s96 s SER 127 Cb 0.20 0.30 0.09 0.00 0.10 0.00 0.00 66.02 66.71 1s96 s SER 127 CO 0.45 -0.52 1.60 0.50 0.98 0.00 0.00 173.24 176.24 1s96 h LYS 128 N 2.00 0.92 -0.32 4.02 1.63 -1.99 -1.23 116.57 121.59 1s96 h LYS 128 Ca -0.23 -0.37 -0.07 0.00 -0.85 0.00 0.00 60.65 59.14 1s96 h LYS 128 Cb 1.21 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 1s96 h LYS 128 CO 0.27 1.02 -0.06 0.82 -3.45 0.00 0.00 179.45 178.05 1s96 h ILE 129 N 0.80 1.27 -0.26 2.00 2.04 -1.99 0.10 117.51 121.48 1s96 h ILE 129 Ca 0.11 -1.09 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 1s96 h ILE 129 Cb 0.74 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1s96 h ILE 129 CO 0.06 0.35 -0.34 -0.08 0.00 0.00 0.00 178.15 178.14 1s96 h GLU 130 N 0.40 0.57 -0.42 2.37 4.57 -1.90 -0.78 114.58 119.38 1s96 h GLU 130 Ca 0.08 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1s96 h GLU 130 Cb 0.54 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1s96 h GLU 130 CO 0.03 0.84 0.25 1.25 -1.18 0.00 0.00 179.01 180.20 1s96 h LEU 131 N 0.48 0.51 -0.47 1.64 5.85 -0.85 0.01 115.31 122.49 1s96 h LEU 131 Ca 0.05 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1s96 h LEU 131 Cb 0.83 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1s96 h LEU 131 CO 0.07 0.42 0.28 -0.78 -0.34 0.00 0.00 178.44 178.09 1s96 h ASP 132 N 0.56 0.57 -0.58 1.25 3.58 -0.58 0.11 116.42 121.31 1s96 h ASP 132 Ca 0.15 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.56 1s96 h ASP 132 Cb 0.01 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 1s96 h ASP 132 CO -0.03 0.46 0.36 -0.09 -2.88 0.00 0.00 179.24 177.06 1s96 h ARG 133 N 0.63 0.70 -0.25 0.28 2.43 -0.76 -1.23 114.38 116.17 1s96 h ARG 133 Ca 0.17 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1s96 h ARG 133 Cb -0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1s96 h ARG 133 CO -0.03 0.46 -0.33 0.00 -1.51 0.00 0.00 179.97 178.56 1s96 h ARG 134 N 0.72 0.53 0.00 0.20 3.08 -0.47 -2.17 114.38 116.27 1s96 h ARG 134 Ca 0.23 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1s96 h ARG 134 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1s96 h ARG 134 CO -0.09 0.79 -0.34 -0.07 -1.07 0.00 0.00 179.97 179.20 1s96 h LEU 135 N 0.45 0.00 -0.50 3.04 3.38 -0.31 -2.27 115.31 119.10 1s96 h LEU 135 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1s96 h LEU 135 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1s96 h LEU 135 CO 0.06 0.34 0.00 0.54 0.09 0.00 0.00 178.44 179.47 1s96 n ARG 136 N -3.85 0.18 0.00 1.13 1.74 -0.51 -4.92 116.66 110.43 1s96 n ARG 136 Ca -0.01 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 1s96 n ARG 136 Cb 0.41 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1s96 n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s96 n GLY 137 N 0.24 2.91 0.07 -0.13 0.00 -0.86 -0.34 105.19 107.09 1s96 n GLY 137 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1s96 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s96 n ARG 138 N 14.00 0.08 -0.45 1.61 5.12 -1.26 -4.82 116.66 130.93 1s96 n ARG 138 Ca 0.00 0.48 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 1s96 n ARG 138 Cb 0.00 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.59 1s96 n ARG 138 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s96 n GLY 139 N -0.89 0.75 0.89 -0.13 0.00 0.53 -4.98 105.19 101.37 1s96 n GLY 139 Ca 0.01 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1s96 n GLY 139 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s96 n GLN 140 N -2.45 2.06 -3.10 1.61 3.00 -1.26 -4.98 117.38 112.26 1s96 n GLN 140 Ca 0.00 -1.85 -0.26 0.00 -0.01 0.00 0.00 57.00 54.88 1s96 n GLN 140 Cb 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 30.24 28.81 1s96 n GLN 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1s96 s ASP 141 N -1.74 6.31 0.74 1.08 1.01 -1.26 -5.06 116.67 117.75 1s96 s ASP 141 Ca 0.27 0.68 -0.11 0.00 0.71 0.00 0.00 52.55 54.10 1s96 s ASP 141 Cb 0.18 -2.13 0.03 0.00 1.01 0.00 0.00 42.92 42.02 1s96 s ASP 141 CO 0.27 -0.38 1.07 -0.94 0.21 0.00 0.00 175.17 175.41 1s96 s SER 142 N -3.90 4.96 0.34 0.27 1.04 -1.26 -4.85 113.70 110.29 1s96 s SER 142 Ca 0.43 1.57 0.04 0.00 0.48 0.00 0.00 55.95 58.47 1s96 s SER 142 Cb -0.10 -2.38 0.65 0.00 0.10 0.00 0.00 66.02 64.29 1s96 s SER 142 CO 0.38 -1.71 1.94 -0.33 0.98 0.00 0.00 173.24 174.51 1s96 h GLU 143 N -0.90 0.84 -0.26 4.02 4.39 -1.99 -0.82 114.58 119.86 1s96 h GLU 143 Ca -0.45 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.07 1s96 h GLU 143 Cb 1.23 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1s96 h GLU 143 CO 0.56 0.56 -0.39 0.93 -1.16 0.00 0.00 179.01 179.51 1s96 h GLU 144 N 0.87 0.61 -0.67 2.33 3.07 -1.99 -0.02 114.58 118.78 1s96 h GLU 144 Ca 0.34 -0.31 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 1s96 h GLU 144 Cb 0.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1s96 h GLU 144 CO -0.11 0.90 0.10 0.28 -1.40 0.00 0.00 179.01 178.78 1s96 h VAL 145 N 0.51 1.26 -0.85 3.13 2.07 -1.67 -1.97 116.25 118.74 1s96 h VAL 145 Ca 0.05 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1s96 h VAL 145 Cb 0.90 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1s96 h VAL 145 CO 0.08 0.39 0.40 0.40 0.02 0.00 0.00 177.57 178.86 1s96 h ILE 146 N 1.03 1.26 -0.37 4.57 1.08 -0.90 0.39 117.51 124.57 1s96 h ILE 146 Ca 0.20 -0.74 -0.07 0.00 -0.39 0.00 0.00 64.86 63.86 1s96 h ILE 146 Cb 0.45 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 1s96 h ILE 146 CO 0.01 0.32 -0.08 0.00 -0.69 0.00 0.00 178.15 177.71 1s96 h ALA 147 N 1.23 1.17 -0.41 1.87 0.00 -0.68 -1.63 119.26 120.80 1s96 h ALA 147 Ca 0.29 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1s96 h ALA 147 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1s96 h ALA 147 CO -0.04 0.53 -0.29 0.87 0.00 0.00 0.00 179.25 180.32 1s96 h LYS 148 N 0.58 0.93 -1.23 0.00 1.79 -0.99 -0.82 116.57 116.84 1s96 h LYS 148 Ca 0.11 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1s96 h LYS 148 Cb 0.48 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1s96 h LYS 148 CO 0.03 1.10 0.00 0.54 -1.08 0.00 0.00 179.45 180.04 1s96 n ARG 149 N -4.12 0.00 0.00 3.15 1.74 0.09 -1.25 116.66 116.27 1s96 n ARG 149 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1s96 n ARG 149 Cb 0.50 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 1s96 n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s96 n ALA 151 N 0.78 0.00 -0.14 7.54 0.00 -0.31 -0.74 120.51 127.64 1s96 n ALA 151 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1s96 n ALA 151 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1s96 n ALA 151 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1s96 h GLN 152 N 0.00 0.79 -0.66 0.00 4.15 -1.44 -1.16 115.11 116.80 1s96 h GLN 152 Ca 0.00 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.08 1s96 h GLN 152 Cb 0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1s96 h GLN 152 CO 0.00 0.92 0.29 0.00 -1.93 0.00 0.00 178.83 178.11 1s96 h ALA 153 N 0.84 0.85 -0.25 3.38 0.00 -1.19 -1.44 119.26 121.46 1s96 h ALA 153 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1s96 h ALA 153 Cb 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1s96 h ALA 153 CO 0.04 0.44 -0.09 0.28 0.00 0.00 0.00 179.25 179.93 1s96 h VAL 154 N 0.92 1.20 -0.11 0.00 2.07 -1.76 -2.45 116.25 116.11 1s96 h VAL 154 Ca 0.22 -0.84 -0.19 0.00 0.82 0.00 0.00 66.70 66.72 1s96 h VAL 154 Cb 0.16 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1s96 h VAL 154 CO -0.02 0.27 -0.70 0.00 0.02 0.00 0.00 177.57 177.14 1s96 h ALA 155 N 1.54 0.57 0.00 1.67 0.00 -0.44 -1.38 119.26 121.23 1s96 h ALA 155 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1s96 h ALA 155 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1s96 h ALA 155 CO 0.02 0.73 0.00 -1.91 0.00 0.00 0.00 179.25 178.09 1s96 n GLU 156 N -3.88 0.39 0.00 0.00 4.07 -0.62 -4.12 120.64 116.49 1s96 n GLU 156 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1s96 n GLU 156 Cb 0.69 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.78 1s96 n GLU 156 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1s96 n SER 158 N 0.75 0.00 -1.19 4.31 3.41 -0.52 -4.28 113.62 116.11 1s96 n SER 158 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1s96 n SER 158 Cb 0.19 -0.01 0.28 0.00 -0.26 0.00 0.00 64.21 64.40 1s96 n SER 158 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1s96 n HIS 159 N -0.02 0.91 0.06 7.33 -0.00 -1.26 -4.60 115.22 117.65 1s96 n HIS 159 Ca 0.00 -0.43 0.07 0.00 -0.00 0.00 0.00 57.72 57.36 1s96 n HIS 159 Cb 0.00 -0.04 0.51 0.00 -0.00 0.00 0.00 29.99 30.45 1s96 n HIS 159 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.34 176.44 1s96 h TYR 160 N 3.58 0.34 0.00 4.41 -0.00 -1.95 -2.38 116.97 120.97 1s96 h TYR 160 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1s96 h TYR 160 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 36.73 37.53 1s96 h TYR 160 CO 0.46 0.20 0.00 0.00 -0.00 0.00 0.00 178.16 178.82 1s96 n ALA 161 N -2.51 1.72 1.68 0.10 0.00 -1.26 -2.11 120.51 118.12 1s96 n ALA 161 Ca 0.03 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1s96 n ALA 161 Cb 0.13 -1.24 0.78 0.00 0.00 0.00 0.00 19.45 19.13 1s96 n ALA 161 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s96 n GLU 162 N -1.44 0.84 -3.71 0.00 1.02 -0.90 -4.88 120.64 111.58 1s96 n GLU 162 Ca 0.05 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.98 1s96 n GLU 162 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 1s96 n GLU 162 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s96 s TYR 163 N -2.00 2.87 0.02 -0.32 1.51 -0.90 -5.01 117.35 113.52 1s96 s TYR 163 Ca 0.39 -0.34 0.10 0.00 -1.01 0.00 0.00 57.07 56.21 1s96 s TYR 163 Cb 0.18 -1.91 -0.22 0.00 -0.11 0.00 0.00 41.96 39.89 1s96 s TYR 163 CO 0.30 0.08 0.89 -0.44 -1.11 0.00 0.00 175.55 175.28 1s96 h ASP 164 N 1.16 0.01 -4.65 2.29 3.32 -1.53 -3.47 116.42 113.55 1s96 h ASP 164 Ca -0.44 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.32 1s96 h ASP 164 Cb 1.26 -0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.61 1s96 h ASP 164 CO 0.57 1.01 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.07 1s96 s TYR 165 N -2.64 0.82 -0.07 4.55 1.51 -0.80 -5.00 117.35 115.72 1s96 s TYR 165 Ca -0.03 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1s96 s TYR 165 Cb 0.09 -0.48 0.01 0.00 -0.11 0.00 0.00 41.96 41.47 1s96 s TYR 165 CO 0.82 -0.07 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.90 1s96 s LEU 166 N -2.04 1.64 -0.07 -1.29 2.96 -1.26 -0.75 118.68 117.87 1s96 s LEU 166 Ca -0.02 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1s96 s LEU 166 Cb -0.06 -0.86 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 1s96 s LEU 166 CO -0.01 0.03 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.23 1s96 s ILE 167 N 0.72 2.57 -0.38 6.68 1.01 -0.22 -4.96 121.20 126.63 1s96 s ILE 167 Ca -0.13 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1s96 s ILE 167 Cb -0.16 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.35 1s96 s ILE 167 CO 0.03 0.57 0.21 -0.69 0.00 0.00 0.00 174.94 175.06 1s96 s VAL 168 N -0.20 4.56 -0.97 2.92 1.01 -1.26 -0.69 120.40 125.76 1s96 s VAL 168 Ca -0.01 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1s96 s VAL 168 Cb -0.13 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.81 1s96 s VAL 168 CO 0.03 -0.27 1.19 0.21 0.00 0.00 0.00 175.10 176.26 1s96 s ASN 169 N 1.60 6.69 0.00 3.32 2.47 0.36 -4.77 114.94 124.61 1s96 s ASN 169 Ca 0.02 -2.15 0.00 0.00 0.42 0.00 0.00 52.86 51.15 1s96 s ASN 169 Cb -0.20 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1s96 s ASN 169 CO 0.06 -1.04 0.00 -0.67 -3.72 0.00 0.00 177.10 171.73 1s96 n ASP 170 N 6.54 0.00 -4.68 -4.21 -0.08 -1.26 -3.93 116.55 108.94 1s96 n ASP 170 Ca 0.26 0.08 -0.40 0.00 -1.51 0.00 0.00 54.79 53.22 1s96 n ASP 170 Cb 0.48 -0.18 -0.05 0.00 2.34 0.00 0.00 41.12 43.71 1s96 n ASP 170 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1s96 s ASP 171 N -1.93 6.78 0.15 1.67 2.15 -1.26 -4.95 116.67 119.27 1s96 s ASP 171 Ca 0.00 0.94 -0.24 0.00 0.43 0.00 0.00 52.55 53.69 1s96 s ASP 171 Cb 0.00 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1s96 s ASP 171 CO 0.00 -0.23 1.62 0.15 -0.17 0.00 0.00 175.17 176.54 1s96 h PHE 172 N 7.25 -0.73 -0.26 -5.34 3.57 -1.98 -1.00 116.94 118.45 1s96 h PHE 172 Ca -0.34 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.16 1s96 h PHE 172 Cb 1.16 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 1s96 h PHE 172 CO 0.69 -0.35 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.97 1s96 h ASP 173 N -0.29 0.36 -0.56 0.41 3.32 -1.99 0.15 116.42 117.82 1s96 h ASP 173 Ca 0.13 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1s96 h ASP 173 Cb 0.49 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1s96 h ASP 173 CO -0.39 0.44 0.17 0.74 -1.72 0.00 0.00 179.24 178.48 1s96 h THR 174 N 0.38 1.24 -0.47 0.35 2.02 -1.72 -1.16 112.91 113.55 1s96 h THR 174 Ca 0.08 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1s96 h THR 174 Cb 0.28 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1s96 h THR 174 CO 0.01 0.30 0.15 0.00 0.37 0.00 0.00 175.52 176.35 1s96 h ALA 175 N 1.04 0.61 -0.36 6.16 0.00 -0.22 -1.35 119.26 125.14 1s96 h ALA 175 Ca 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1s96 h ALA 175 Cb 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1s96 h ALA 175 CO -0.00 0.26 -0.05 1.25 0.00 0.00 0.00 179.25 180.70 1s96 h LEU 176 N 0.62 0.56 -1.10 0.00 5.85 -0.40 -0.80 115.31 120.03 1s96 h LEU 176 Ca 0.15 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1s96 h LEU 176 Cb 0.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1s96 h LEU 176 CO -0.01 0.66 -0.04 0.74 -0.34 0.00 0.00 178.44 179.46 1s96 h THR 177 N 0.55 1.22 -0.48 1.05 2.02 -0.91 -0.54 112.91 115.82 1s96 h THR 177 Ca 0.11 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1s96 h THR 177 Cb 0.43 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1s96 h THR 177 CO 0.02 0.31 0.20 0.44 0.37 0.00 0.00 175.52 176.86 1s96 h ASP 178 N 0.56 0.66 -0.47 4.18 3.32 -0.28 0.41 116.42 124.80 1s96 h ASP 178 Ca 0.11 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1s96 h ASP 178 Cb 0.41 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1s96 h ASP 178 CO 0.02 0.64 -0.02 0.25 -1.72 0.00 0.00 179.24 178.41 1s96 h LEU 179 N 0.64 0.83 -1.02 1.55 5.85 -0.84 -1.28 115.31 121.03 1s96 h LEU 179 Ca 0.16 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 1s96 h LEU 179 Cb 0.18 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1s96 h LEU 179 CO -0.01 0.95 -0.40 0.11 -0.34 0.00 0.00 178.44 178.74 1s96 h LYS 180 N 0.69 0.17 -0.77 1.25 1.57 -0.75 -2.50 116.57 116.23 1s96 h LYS 180 Ca 0.13 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1s96 h LYS 180 Cb 0.53 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1s96 h LYS 180 CO 0.03 0.55 0.28 1.15 -0.57 0.00 0.00 179.45 180.89 1s96 h THR 181 N 0.14 1.26 -0.23 -0.16 2.02 0.41 0.38 112.91 116.73 1s96 h THR 181 Ca 0.01 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1s96 h THR 181 Cb 0.78 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1s96 h THR 181 CO 0.06 0.34 0.13 0.40 0.37 0.00 0.00 175.52 176.82 1s96 h ILE 182 N 1.13 1.11 -0.53 3.11 2.04 -0.84 -0.49 117.51 123.04 1s96 h ILE 182 Ca 0.25 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1s96 h ILE 182 Cb 0.25 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1s96 h ILE 182 CO -0.02 0.10 -0.02 0.40 0.00 0.00 0.00 178.15 178.62 1s96 h ILE 183 N 0.27 1.27 -0.29 -0.67 2.04 -1.29 -0.02 117.51 118.81 1s96 h ILE 183 Ca 0.08 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1s96 h ILE 183 Cb 0.05 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1s96 h ILE 183 CO -0.01 0.40 0.00 -0.09 0.00 0.00 0.00 178.15 178.45 1s96 h ARG 184 N 0.82 0.52 -0.69 2.37 2.43 -0.75 -1.55 114.38 117.53 1s96 h ARG 184 Ca 0.15 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1s96 h ARG 184 Cb 0.55 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1s96 h ARG 184 CO 0.03 0.66 0.42 0.00 -1.51 0.00 0.00 179.97 179.57 1s96 h ALA 185 N 0.84 0.88 -0.47 2.80 0.00 -0.95 -0.58 119.26 121.77 1s96 h ALA 185 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1s96 h ALA 185 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1s96 h ALA 185 CO 0.01 0.35 0.24 0.93 0.00 0.00 0.00 179.25 180.79 1s96 h GLU 186 N 0.94 0.65 0.00 0.00 4.39 -0.87 0.54 114.58 120.23 1s96 h GLU 186 Ca 0.25 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1s96 h GLU 186 Cb -0.03 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1s96 h GLU 186 CO -0.05 0.49 0.00 0.00 -1.16 0.00 0.00 179.01 178.30 1s96 h ARG 187 N 0.65 0.00 -0.00 2.33 3.08 -0.09 -2.05 114.38 118.30 1s96 h ARG 187 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1s96 h ARG 187 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1s96 h ARG 187 CO -0.03 0.00 -0.07 1.28 -1.07 0.00 0.00 179.97 180.08 1s96 n LEU 188 N -2.51 0.57 0.00 3.04 4.77 0.16 -4.24 117.00 118.79 1s96 n LEU 188 Ca 0.03 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1s96 n LEU 188 Cb 0.33 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1s96 n LEU 188 CO 0.25 0.10 0.00 0.54 -1.33 0.00 0.00 177.39 176.95 1s96 n ARG 189 N -0.77 2.41 0.00 3.23 1.74 -0.77 -4.72 116.66 117.78 1s96 n ARG 189 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1s96 n ARG 189 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 1s96 n ARG 189 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s96 n SER 191 N 0.00 0.00 0.04 0.55 3.41 -1.26 -1.00 113.62 115.36 1s96 n SER 191 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1s96 n SER 191 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1s96 n SER 191 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s96 h ARG 192 N 0.00 0.33 -0.22 4.33 3.08 -1.89 -3.33 114.38 116.69 1s96 h ARG 192 Ca 0.00 -0.57 -0.07 0.00 0.07 0.00 0.00 59.98 59.41 1s96 h ARG 192 Cb 0.00 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1s96 h ARG 192 CO 0.00 1.27 -0.17 1.96 -1.07 0.00 0.00 179.97 181.96 1s96 h GLN 193 N 0.07 0.38 0.00 0.04 1.08 -1.24 -0.14 115.11 115.30 1s96 h GLN 193 Ca -0.38 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1s96 h GLN 193 Cb 2.05 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.45 1s96 h GLN 193 CO 0.13 0.55 0.00 1.57 -0.95 0.00 0.00 178.83 180.13 1s96 h LYS 194 N 0.35 0.00 0.04 1.46 2.10 -1.81 0.11 116.57 118.82 1s96 h LYS 194 Ca 0.06 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.54 1s96 h LYS 194 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1s96 h LYS 194 CO 0.03 0.00 -0.91 0.37 -2.00 0.00 0.00 179.45 176.94 1s96 h GLN 195 N 0.00 0.09 -0.93 0.07 5.75 -1.55 -2.58 115.11 115.97 1s96 h GLN 195 Ca 0.00 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1s96 h GLN 195 Cb 0.76 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.31 1s96 h GLN 195 CO 0.00 1.07 0.61 -0.09 -2.65 0.00 0.00 178.83 177.77 1s96 h ARG 196 N -0.75 1.11 -0.58 1.69 2.43 -0.87 -2.75 114.38 114.66 1s96 h ARG 196 Ca -0.22 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 58.73 1s96 h ARG 196 Cb 1.37 -0.25 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 1s96 h ARG 196 CO -0.05 0.73 0.16 0.72 -1.51 0.00 0.00 179.97 180.03 1s96 n HIS 197 N -4.45 1.96 -0.10 2.20 8.25 0.37 -4.70 115.22 118.76 1s96 n HIS 197 Ca 0.13 -1.16 -0.07 0.00 -0.26 0.00 0.00 57.72 56.37 1s96 n HIS 197 Cb 0.12 -0.58 -0.00 0.00 1.12 0.00 0.00 29.99 30.65 1s96 n HIS 197 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1s96 h ASP 198 N 2.38 -0.76 -0.44 0.41 1.82 -1.14 0.76 116.42 119.46 1s96 h ASP 198 Ca 0.19 0.15 -0.04 0.00 -0.39 0.00 0.00 57.03 56.95 1s96 h ASP 198 Cb 2.05 0.38 -0.02 0.00 0.68 0.00 0.00 39.33 42.43 1s96 h ASP 198 CO 0.58 -0.26 0.13 0.00 -1.61 0.00 0.00 179.24 178.08 1s96 h ALA 199 N 0.99 0.58 -0.44 -0.78 0.00 -1.85 -2.09 119.26 115.66 1s96 h ALA 199 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s96 h ALA 199 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1s96 h ALA 199 CO -0.46 0.23 0.19 1.25 0.00 0.00 0.00 179.25 180.47 1s96 h LEU 200 N 0.57 0.59 -0.68 0.00 5.85 -1.79 -1.06 115.31 118.79 1s96 h LEU 200 Ca 0.14 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1s96 h LEU 200 Cb 0.28 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1s96 h LEU 200 CO -0.00 0.58 0.24 0.40 -0.34 0.00 0.00 178.44 179.32 1s96 h ILE 201 N 0.57 1.25 -0.80 4.05 2.04 -0.78 0.58 117.51 124.41 1s96 h ILE 201 Ca 0.15 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1s96 h ILE 201 Cb 0.16 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1s96 h ILE 201 CO -0.02 0.32 0.53 -1.28 0.00 0.00 0.00 178.15 177.71 1s96 h SER 202 N 0.98 0.93 -0.23 1.72 0.87 -1.05 -0.44 113.55 116.33 1s96 h SER 202 Ca 0.22 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.60 1s96 h SER 202 Cb 0.26 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1s96 h SER 202 CO -0.01 0.67 -0.42 0.11 -0.53 0.00 0.00 176.83 176.65 1s96 h LYS 203 N 1.09 0.78 -0.16 2.24 1.79 -0.47 -2.34 116.57 119.50 1s96 h LYS 203 Ca 0.29 -0.42 -0.07 0.00 -2.18 0.00 0.00 60.65 58.27 1s96 h LYS 203 Cb -0.12 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 1s96 h LYS 203 CO -0.06 1.05 -0.22 -0.07 -1.08 0.00 0.00 179.45 179.07 1s96 h LEU 204 N 0.63 0.28 -0.21 2.94 3.38 0.00 -3.06 115.31 119.27 1s96 h LEU 204 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1s96 h LEU 204 Cb 0.98 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1s96 h LEU 204 CO 0.09 0.51 -0.49 0.18 0.09 0.00 0.00 178.44 178.82 1s96 n LEU 205 N -4.18 0.82 -0.24 1.67 4.77 -0.26 -5.10 117.00 114.49 1s96 n LEU 205 Ca -0.01 -0.19 0.15 0.00 -0.03 0.00 0.00 56.01 55.93 1s96 n LEU 205 Cb 0.35 -0.16 0.74 0.00 -2.33 0.00 0.00 43.42 42.01 1s96 n LEU 205 CO 0.40 0.18 0.99 0.00 -1.33 0.00 0.00 177.39 177.63