#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vh1 s PHE 3 N 0.00 -0.00 0.07 1.43 -0.12 -1.26 -4.51 117.98 113.58 1vh1 s PHE 3 Ca 0.00 -0.37 0.08 0.00 -0.05 0.00 0.00 56.93 56.59 1vh1 s PHE 3 Cb 0.00 0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 1vh1 s PHE 3 CO 0.00 -0.60 -0.19 0.08 -0.05 0.00 0.00 175.22 174.46 1vh1 s VAL 4 N -3.76 2.77 -0.16 -2.49 1.01 0.38 -2.24 120.40 115.92 1vh1 s VAL 4 Ca 0.04 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.72 1vh1 s VAL 4 Cb 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1vh1 s VAL 4 CO -0.11 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.39 1vh1 s VAL 5 N -0.99 2.47 -0.20 2.92 1.01 -0.51 -0.29 120.40 124.80 1vh1 s VAL 5 Ca 0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1vh1 s VAL 5 Cb -0.10 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1vh1 s VAL 5 CO 0.07 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 174.98 1vh1 s ILE 6 N 0.96 3.18 -0.38 2.22 1.01 -0.59 -0.48 121.20 127.12 1vh1 s ILE 6 Ca -0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 1vh1 s ILE 6 Cb -0.15 -2.42 0.07 0.00 0.01 0.00 0.00 42.46 39.97 1vh1 s ILE 6 CO -0.03 0.46 0.19 -0.63 0.00 0.00 0.00 174.94 174.92 1vh1 s ILE 7 N 1.20 3.87 -0.21 2.92 1.01 0.46 -1.71 121.20 128.74 1vh1 s ILE 7 Ca 0.02 -1.41 -0.29 0.00 0.00 0.00 0.00 60.65 58.97 1vh1 s ILE 7 Cb -0.14 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 38.98 1vh1 s ILE 7 CO -0.03 -0.41 1.18 -2.84 0.00 0.00 0.00 174.94 172.85 1vh1 s PRO 8 N 1.36 4.20 -0.59 2.79 0.02 -1.25 -0.10 135.00 141.43 1vh1 s PRO 8 Ca 0.02 1.47 -0.20 0.00 0.02 0.00 0.00 61.00 62.31 1vh1 s PRO 8 Cb -0.22 -3.73 0.08 0.00 0.02 0.00 0.00 34.50 30.65 1vh1 s PRO 8 CO 0.01 -0.74 0.78 0.00 -0.33 0.00 0.00 177.00 176.73 1vh1 s ALA 9 N 3.50 3.30 0.83 -1.55 0.00 -0.66 -2.42 121.76 124.76 1vh1 s ALA 9 Ca 0.50 -1.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 1vh1 s ALA 9 Cb -0.18 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.42 1vh1 s ALA 9 CO 0.13 -2.41 1.10 1.03 0.00 0.00 0.00 175.76 175.61 1vh1 s ARG 10 N 3.18 1.82 0.00 0.00 3.00 -1.26 -4.87 118.95 120.82 1vh1 s ARG 10 Ca 0.17 0.60 0.00 0.00 0.00 0.00 0.00 55.73 56.50 1vh1 s ARG 10 Cb -0.20 -1.89 0.00 0.00 0.00 0.00 0.00 34.95 32.86 1vh1 s ARG 10 CO 0.10 -1.80 0.00 0.98 0.00 0.00 0.00 175.30 174.58 1vh1 n TYR 11 N -3.55 0.00 -1.66 -0.53 9.36 -1.26 -4.22 117.16 115.30 1vh1 n TYR 11 Ca 0.07 0.00 -0.49 0.00 3.32 0.00 0.00 57.90 60.80 1vh1 n TYR 11 Cb 0.57 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.23 1vh1 n TYR 11 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1vh1 n ALA 12 N -0.73 0.68 -3.65 2.98 0.00 -1.26 -4.67 120.51 113.86 1vh1 n ALA 12 Ca 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 1vh1 n ALA 12 Cb 0.09 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 1vh1 n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vh1 s SER 13 N 1.83 -0.01 0.00 0.00 0.15 -1.26 -5.03 113.70 109.37 1vh1 s SER 13 Ca 0.85 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1vh1 s SER 13 Cb -0.77 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1vh1 s SER 13 CO 0.45 -0.01 0.51 0.41 1.20 0.00 0.00 173.24 175.81 1vh1 n THR 14 N 1.35 0.28 -3.15 6.45 -1.04 -1.26 -4.95 114.28 111.95 1vh1 n THR 14 Ca -0.08 0.08 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1vh1 n THR 14 Cb 0.57 -1.08 -0.01 0.00 -1.82 0.00 0.00 70.33 67.99 1vh1 n THR 14 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1vh1 s PRO 17 N -2.03 0.44 -1.04 -2.82 0.02 -1.26 -5.17 135.00 123.14 1vh1 s PRO 17 Ca 0.00 0.72 -0.00 0.00 0.02 0.00 0.00 61.00 61.74 1vh1 s PRO 17 Cb 0.00 0.39 -0.00 0.00 0.02 0.00 0.00 34.50 34.91 1vh1 s PRO 17 CO 0.00 -0.55 0.87 0.41 -0.33 0.00 0.00 177.00 177.40 1vh1 n GLY 18 N 5.42 -0.28 0.26 0.52 0.00 -1.26 -4.87 105.19 104.98 1vh1 n GLY 18 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1vh1 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vh1 h LYS 19 N -1.62 -0.47 -1.05 1.61 1.57 -1.86 -2.90 116.57 111.84 1vh1 h LYS 19 Ca -0.51 0.03 0.29 0.00 -1.87 0.00 0.00 60.65 58.58 1vh1 h LYS 19 Cb 1.29 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.60 1vh1 h LYS 19 CO 0.43 -0.32 0.65 -1.35 -0.57 0.00 0.00 179.45 178.30 1vh1 h PRO 20 N -0.49 0.40 -0.01 3.15 0.11 -1.91 -0.71 132.00 132.53 1vh1 h PRO 20 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1vh1 h PRO 20 Cb 0.44 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1vh1 h PRO 20 CO -0.06 0.26 -0.14 1.28 -0.21 0.00 0.00 178.00 179.13 1vh1 n LEU 21 N -4.77 1.54 -4.66 2.35 4.77 -1.22 -1.46 117.00 113.55 1vh1 n LEU 21 Ca 0.28 -0.49 -0.47 0.00 -0.03 0.00 0.00 56.01 55.30 1vh1 n LEU 21 Cb 0.91 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1vh1 n LEU 21 CO 0.20 0.27 1.15 0.52 -1.33 0.00 0.00 177.39 178.20 1vh1 n VAL 22 N -0.02 0.06 -2.43 4.08 0.31 -0.27 -4.62 118.33 115.43 1vh1 n VAL 22 Ca 0.15 -0.01 -0.40 0.00 -0.01 0.00 0.00 64.34 64.07 1vh1 n VAL 22 Cb 0.39 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 31.83 1vh1 n VAL 22 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vh1 s ASP 23 N 0.82 7.09 -0.43 4.52 -1.08 -1.26 -4.36 116.67 121.97 1vh1 s ASP 23 Ca 0.79 2.29 0.02 0.00 -0.52 0.00 0.00 52.55 55.13 1vh1 s ASP 23 Cb -0.71 -2.62 0.15 0.00 -1.46 0.00 0.00 42.92 38.28 1vh1 s ASP 23 CO 0.39 -0.27 0.29 -0.63 0.52 0.00 0.00 175.17 175.47 1vh1 s ILE 24 N -1.24 0.80 -0.94 4.11 1.01 -0.12 -4.89 121.20 119.94 1vh1 s ILE 24 Ca 0.48 -2.49 -0.05 0.00 0.00 0.00 0.00 60.65 58.58 1vh1 s ILE 24 Cb -0.31 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1vh1 s ILE 24 CO 0.40 -1.05 0.73 0.59 0.00 0.00 0.00 174.94 175.61 1vh1 n ASN 25 N 3.32 -4.90 0.00 3.58 4.13 -1.26 -3.47 115.26 116.66 1vh1 n ASN 25 Ca 0.18 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.11 1vh1 n ASN 25 Cb 0.40 -3.54 0.00 0.00 -1.54 0.00 0.00 39.78 35.10 1vh1 n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vh1 n GLY 26 N -1.47 1.79 3.14 7.41 0.00 -1.26 -5.07 105.19 109.73 1vh1 n GLY 26 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1vh1 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vh1 s LYS 27 N -0.81 0.83 0.00 1.61 1.02 -1.23 -5.12 119.74 116.06 1vh1 s LYS 27 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.18 1vh1 s LYS 27 Cb 0.00 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.49 1vh1 s LYS 27 CO 0.00 0.19 0.00 -0.35 -0.92 0.00 0.00 175.35 174.27 1vh1 n PRO 28 N 1.66 1.31 0.00 -1.68 -0.04 -1.26 -0.95 135.00 134.04 1vh1 n PRO 28 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1vh1 n PRO 28 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1vh1 n PRO 28 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1vh1 n ILE 30 N 0.00 0.00 0.12 0.52 0.13 -0.54 -2.59 119.36 117.01 1vh1 n ILE 30 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 62.75 61.64 1vh1 n ILE 30 Cb 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 39.64 38.89 1vh1 n ILE 30 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1vh1 h VAL 31 N 0.00 1.29 -0.52 9.51 2.07 -1.91 -2.83 116.25 123.85 1vh1 h VAL 31 Ca 0.00 -2.42 -0.08 0.00 0.82 0.00 0.00 66.70 65.02 1vh1 h VAL 31 Cb 0.00 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1vh1 h VAL 31 CO 0.00 0.65 -0.01 0.45 0.02 0.00 0.00 177.57 178.67 1vh1 h HIS 32 N 0.00 0.96 -0.11 1.57 3.86 -1.84 -0.67 115.15 118.92 1vh1 h HIS 32 Ca -0.01 -0.15 -0.09 0.00 -1.16 0.00 0.00 60.37 58.96 1vh1 h HIS 32 Cb 1.32 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 1vh1 h HIS 32 CO 0.00 0.87 -0.34 0.28 0.86 0.00 0.00 177.93 179.60 1vh1 h VAL 33 N 0.82 1.28 -0.02 2.45 2.07 -1.75 -2.08 116.25 119.02 1vh1 h VAL 33 Ca 0.15 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1vh1 h VAL 33 Cb 0.51 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1vh1 h VAL 33 CO 0.03 0.40 0.00 0.25 0.02 0.00 0.00 177.57 178.27 1vh1 h LEU 34 N 0.18 0.03 -0.61 2.57 5.85 -1.20 -1.57 115.31 120.56 1vh1 h LEU 34 Ca 0.02 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1vh1 h LEU 34 Cb 0.70 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1vh1 h LEU 34 CO 0.05 0.25 0.29 -0.33 -0.34 0.00 0.00 178.44 178.37 1vh1 h GLU 35 N -0.20 0.52 -0.33 1.25 5.08 -0.84 0.03 114.58 120.08 1vh1 h GLU 35 Ca 0.01 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1vh1 h GLU 35 Cb 0.24 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1vh1 h GLU 35 CO 0.00 0.35 0.13 0.00 -1.00 0.00 0.00 179.01 178.49 1vh1 h ARG 36 N 0.54 0.27 -0.35 2.33 -0.00 -1.26 -0.86 114.38 115.06 1vh1 h ARG 36 Ca 0.29 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.73 1vh1 h ARG 36 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.15 1vh1 h ARG 36 CO -0.22 0.18 0.11 0.00 0.00 0.00 0.00 179.97 180.04 1vh1 h ALA 37 N 1.20 1.55 -0.42 0.04 0.00 -0.19 -1.92 119.26 119.52 1vh1 h ALA 37 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1vh1 h ALA 37 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1vh1 h ALA 37 CO -0.14 0.35 -0.22 0.00 0.00 0.00 0.00 179.25 179.24 1vh1 h ARG 38 N 0.49 0.88 -0.29 0.00 3.08 -0.42 -2.95 114.38 115.17 1vh1 h ARG 38 Ca 0.12 -0.39 0.08 0.00 0.07 0.00 0.00 59.98 59.86 1vh1 h ARG 38 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1vh1 h ARG 38 CO -0.01 1.04 0.21 0.93 -1.07 0.00 0.00 179.97 181.08 1vh1 h GLU 39 N 0.70 0.00 0.00 0.04 5.08 -0.40 -1.60 114.58 118.40 1vh1 h GLU 39 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1vh1 h GLU 39 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1vh1 h GLU 39 CO 0.06 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.73 1vh1 h SER 40 N 0.00 0.00 0.00 1.42 4.64 -1.25 -3.47 113.55 114.89 1vh1 h SER 40 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1vh1 h SER 40 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1vh1 h SER 40 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1vh1 n GLY 41 N 0.45 0.71 3.71 -0.77 0.00 -0.60 -4.65 105.19 104.04 1vh1 n GLY 41 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1vh1 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vh1 n ALA 42 N -1.57 1.44 1.28 4.61 0.00 -1.24 -4.84 120.51 120.19 1vh1 n ALA 42 Ca 0.00 0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.92 1vh1 n ALA 42 Cb 0.00 -2.28 0.53 0.00 0.00 0.00 0.00 19.45 17.71 1vh1 n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1vh1 n GLU 43 N 0.46 0.52 -3.52 0.00 0.28 -0.95 -4.77 120.64 112.67 1vh1 n GLU 43 Ca 0.04 -0.20 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1vh1 n GLU 43 Cb 0.37 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.70 1vh1 n GLU 43 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1vh1 s ARG 44 N -2.62 0.43 -0.20 3.44 3.52 -1.26 -5.08 118.95 117.19 1vh1 s ARG 44 Ca 0.24 1.08 -0.02 0.00 -0.13 0.00 0.00 55.73 56.90 1vh1 s ARG 44 Cb 0.19 0.64 -0.00 0.00 -1.56 0.00 0.00 34.95 34.22 1vh1 s ARG 44 CO 0.52 -0.15 -0.09 0.42 -0.81 0.00 0.00 175.30 175.19 1vh1 s ILE 45 N 2.65 3.05 -0.12 4.11 1.09 -1.26 -1.43 121.20 129.29 1vh1 s ILE 45 Ca -0.04 -0.61 0.03 0.00 -1.10 0.00 0.00 60.65 58.92 1vh1 s ILE 45 Cb -0.09 -2.35 -0.00 0.00 -1.06 0.00 0.00 42.46 38.96 1vh1 s ILE 45 CO -0.18 0.46 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.29 1vh1 s ILE 46 N 1.25 2.33 -0.26 2.92 1.01 0.37 -3.60 121.20 125.22 1vh1 s ILE 46 Ca 0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 1vh1 s ILE 46 Cb -0.14 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1vh1 s ILE 46 CO -0.04 0.55 0.35 -0.69 0.00 0.00 0.00 174.94 175.10 1vh1 s VAL 47 N 0.45 5.20 -0.27 2.92 1.01 -0.68 -0.41 120.40 128.62 1vh1 s VAL 47 Ca -0.14 0.52 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 1vh1 s VAL 47 Cb -0.17 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1vh1 s VAL 47 CO 0.06 0.18 0.44 0.00 0.00 0.00 0.00 175.10 175.78 1vh1 s ALA 48 N 1.92 3.57 0.11 5.51 0.00 0.86 -1.55 121.76 132.17 1vh1 s ALA 48 Ca 0.14 -0.75 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1vh1 s ALA 48 Cb -0.16 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1vh1 s ALA 48 CO 0.10 -0.73 0.23 -0.08 0.00 0.00 0.00 175.76 175.27 1vh1 s THR 49 N 2.18 0.12 -0.03 0.00 -1.32 -1.17 -1.65 115.64 113.78 1vh1 s THR 49 Ca 0.18 -1.15 0.09 0.00 -1.21 0.00 0.00 61.69 59.59 1vh1 s THR 49 Cb -0.16 -1.41 -0.13 0.00 -1.51 0.00 0.00 72.50 69.29 1vh1 s THR 49 CO 0.10 -0.55 0.16 -0.90 -2.21 0.00 0.00 174.62 171.22 1vh1 n ASP 50 N -0.11 2.96 -4.69 8.08 5.68 -1.26 -0.96 116.55 126.25 1vh1 n ASP 50 Ca -0.14 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.75 1vh1 n ASP 50 Cb 0.63 1.26 -0.05 0.00 -1.14 0.00 0.00 41.12 41.82 1vh1 n ASP 50 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1vh1 s HIS 51 N -2.53 3.47 0.33 2.11 3.76 -1.26 -4.89 115.29 116.27 1vh1 s HIS 51 Ca -0.03 1.11 0.22 0.00 -0.15 0.00 0.00 55.06 56.21 1vh1 s HIS 51 Cb 0.05 -2.83 1.07 0.00 1.11 0.00 0.00 32.58 31.99 1vh1 s HIS 51 CO 0.36 -0.06 1.92 0.93 -0.85 0.00 0.00 174.74 177.05 1vh1 h GLU 52 N 7.12 0.00 -0.02 1.40 5.08 -1.99 -2.23 114.58 123.94 1vh1 h GLU 52 Ca -0.35 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.87 1vh1 h GLU 52 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1vh1 h GLU 52 CO 0.78 0.23 -0.64 0.38 -1.00 0.00 0.00 179.01 178.76 1vh1 h ASP 53 N 0.00 0.08 -0.38 1.42 2.03 -1.99 -0.48 116.42 117.10 1vh1 h ASP 53 Ca -0.00 -0.05 -0.09 0.00 -0.73 0.00 0.00 57.03 56.16 1vh1 h ASP 53 Cb 0.56 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 1vh1 h ASP 53 CO 0.03 0.70 -0.10 0.58 -1.03 0.00 0.00 179.24 179.41 1vh1 h VAL 54 N 0.05 1.28 -0.93 4.15 2.07 -1.85 -2.48 116.25 118.53 1vh1 h VAL 54 Ca -0.01 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1vh1 h VAL 54 Cb 1.14 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 1vh1 h VAL 54 CO 0.09 0.40 0.60 0.00 0.02 0.00 0.00 177.57 178.67 1vh1 h ALA 55 N 0.83 1.24 -0.09 1.67 0.00 -0.90 -1.68 119.26 120.32 1vh1 h ALA 55 Ca 0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1vh1 h ALA 55 Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1vh1 h ALA 55 CO 0.04 0.45 -0.62 0.00 0.00 0.00 0.00 179.25 179.12 1vh1 h ARG 56 N 1.15 0.32 -0.63 0.00 3.08 -1.02 -1.87 114.38 115.41 1vh1 h ARG 56 Ca 0.38 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 1vh1 h ARG 56 Cb 0.04 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1vh1 h ARG 56 CO -0.13 0.84 0.05 0.00 -1.07 0.00 0.00 179.97 179.66 1vh1 h ALA 57 N 1.10 0.84 -0.24 0.04 0.00 -0.86 -0.47 119.26 119.67 1vh1 h ALA 57 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1vh1 h ALA 57 Cb 1.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1vh1 h ALA 57 CO 0.10 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.27 1vh1 h VAL 58 N 0.98 1.26 -0.75 0.00 2.07 -1.25 -2.60 116.25 115.97 1vh1 h VAL 58 Ca 0.18 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1vh1 h VAL 58 Cb 0.50 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1vh1 h VAL 58 CO 0.02 0.29 0.47 -0.33 0.02 0.00 0.00 177.57 178.04 1vh1 h GLU 59 N 0.21 1.01 -0.13 1.57 5.08 -1.16 0.16 114.58 121.31 1vh1 h GLU 59 Ca 0.07 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1vh1 h GLU 59 Cb 0.43 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1vh1 h GLU 59 CO 0.01 0.70 -0.01 0.00 -1.00 0.00 0.00 179.01 178.71 1vh1 h ALA 60 N 1.25 1.73 -0.00 3.43 0.00 -0.94 0.28 119.26 125.01 1vh1 h ALA 60 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1vh1 h ALA 60 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1vh1 h ALA 60 CO -0.05 0.21 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 1vh1 n ALA 61 N -2.51 2.64 -0.70 0.00 0.00 -0.55 -4.86 120.51 114.54 1vh1 n ALA 61 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1vh1 n ALA 61 Cb 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1vh1 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vh1 n GLY 62 N 1.10 0.63 3.94 0.00 0.00 0.98 -5.05 105.19 106.79 1vh1 n GLY 62 Ca 0.21 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1vh1 n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vh1 s GLY 63 N -2.15 1.74 0.12 -0.02 0.00 0.46 -4.96 107.32 102.51 1vh1 s GLY 63 Ca 0.00 -1.18 0.07 0.00 0.00 0.00 0.00 44.72 43.61 1vh1 s GLY 63 CO 0.00 -0.54 -0.08 1.85 0.00 0.00 0.00 173.10 174.33 1vh1 s GLU 64 N -5.61 2.20 0.00 2.90 2.12 -1.24 -4.17 118.70 114.91 1vh1 s GLU 64 Ca 0.69 -1.04 0.01 0.00 0.36 0.00 0.00 54.97 54.99 1vh1 s GLU 64 Cb -0.06 -2.32 -0.01 0.00 0.26 0.00 0.00 34.13 32.00 1vh1 s GLU 64 CO 0.50 0.50 -0.04 0.08 -0.54 0.00 0.00 175.26 175.75 1vh1 s VAL 65 N -1.33 0.33 0.00 3.70 1.01 -1.26 -1.69 120.40 121.15 1vh1 s VAL 65 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1vh1 s VAL 65 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1vh1 s VAL 65 CO 0.15 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.27 1vh1 s THR 68 N 0.68 0.00 -0.15 0.00 -4.23 -0.13 -3.04 115.64 108.77 1vh1 s THR 68 Ca 0.00 -0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 1vh1 s THR 68 Cb 0.00 -2.34 -0.24 0.00 1.34 0.00 0.00 72.50 71.27 1vh1 s THR 68 CO 0.00 0.00 0.30 -2.11 -0.54 0.00 0.00 174.62 172.27 1vh1 n ARG 69 N -0.53 0.69 0.00 3.99 0.00 -1.26 -4.53 116.66 115.02 1vh1 n ARG 69 Ca -0.05 0.36 0.07 0.00 -0.00 0.00 0.00 57.85 58.24 1vh1 n ARG 69 Cb 0.60 -1.72 -0.03 0.00 -0.00 0.00 0.00 32.46 31.31 1vh1 n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vh1 n GLY 75 N 1.80 -0.16 0.02 2.89 0.00 -1.26 -4.85 105.19 103.64 1vh1 n GLY 75 Ca -0.32 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.37 1vh1 n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1vh1 n THR 76 N -0.54 0.09 0.07 2.61 -1.04 -1.26 -3.69 114.28 110.52 1vh1 n THR 76 Ca 0.05 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.05 61.56 1vh1 n THR 76 Cb 0.29 0.06 0.11 0.00 -1.82 0.00 0.00 70.33 68.98 1vh1 n THR 76 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1vh1 h GLU 77 N 0.00 0.30 -0.37 -2.82 3.07 -1.99 -1.82 114.58 110.95 1vh1 h GLU 77 Ca 0.00 -0.20 0.07 0.00 -0.50 0.00 0.00 59.36 58.73 1vh1 h GLU 77 Cb 0.93 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.80 1vh1 h GLU 77 CO 0.00 0.80 -0.06 0.00 -1.40 0.00 0.00 179.01 178.35 1vh1 h ARG 78 N 0.23 0.04 -0.56 2.33 3.08 -2.00 0.31 114.38 117.81 1vh1 h ARG 78 Ca -0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1vh1 h ARG 78 Cb 1.09 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 1vh1 h ARG 78 CO 0.09 0.02 0.31 1.25 -1.07 0.00 0.00 179.97 180.58 1vh1 h LEU 79 N 0.04 0.47 -1.43 3.04 5.85 -1.43 -2.14 115.31 119.70 1vh1 h LEU 79 Ca 0.18 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1vh1 h LEU 79 Cb 0.27 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1vh1 h LEU 79 CO -0.35 0.32 -0.21 0.00 -0.34 0.00 0.00 178.44 177.85 1vh1 h ALA 80 N 1.28 1.53 -0.10 1.25 0.00 -0.66 -0.35 119.26 122.21 1vh1 h ALA 80 Ca 0.24 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1vh1 h ALA 80 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1vh1 h ALA 80 CO -0.14 0.34 -0.49 1.05 0.00 0.00 0.00 179.25 180.01 1vh1 h GLU 81 N 0.10 0.27 -0.14 0.00 4.11 -0.36 0.90 114.58 119.46 1vh1 h GLU 81 Ca 0.02 -0.15 -0.22 0.00 0.07 0.00 0.00 59.36 59.08 1vh1 h GLU 81 Cb 0.44 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1vh1 h GLU 81 CO 0.03 0.70 -0.77 0.28 0.07 0.00 0.00 179.01 179.32 1vh1 h VAL 82 N 0.22 1.29 -0.02 -1.06 2.07 -0.79 0.57 116.25 118.53 1vh1 h VAL 82 Ca 0.01 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.42 1vh1 h VAL 82 Cb 0.94 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1vh1 h VAL 82 CO 0.08 0.63 -0.51 -0.37 0.02 0.00 0.00 177.57 177.41 1vh1 h VAL 83 N 0.50 1.37 0.70 2.57 -1.51 -0.92 0.14 116.25 119.10 1vh1 h VAL 83 Ca -0.05 -1.76 -0.03 0.00 -1.23 0.00 0.00 66.70 63.63 1vh1 h VAL 83 Cb 1.39 1.93 0.01 0.00 -2.13 0.00 0.00 31.29 32.48 1vh1 h VAL 83 CO 0.15 0.51 -0.34 -0.08 -1.23 0.00 0.00 177.57 176.58 1vh1 h GLU 84 N 0.04 -0.91 -0.23 5.19 4.57 -0.57 -1.02 114.58 121.66 1vh1 h GLU 84 Ca -0.00 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1vh1 h GLU 84 Cb 0.92 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1vh1 h GLU 84 CO 0.07 -0.61 0.15 0.87 -1.18 0.00 0.00 179.01 178.32 1vh1 h LYS 85 N -1.12 0.16 -0.02 1.92 1.57 0.20 -0.94 116.57 118.35 1vh1 h LYS 85 Ca -0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1vh1 h LYS 85 Cb 0.73 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1vh1 h LYS 85 CO 0.16 0.11 -0.09 0.00 -0.57 0.00 0.00 179.45 179.06 1vh1 n ALA 87 N 0.45 -2.11 -1.77 0.00 0.00 -0.36 -4.88 120.51 111.85 1vh1 n ALA 87 Ca 0.15 -0.29 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 1vh1 n ALA 87 Cb 0.45 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 1vh1 n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1vh1 s PHE 88 N -3.92 3.17 0.63 0.00 2.99 -0.98 -5.00 117.98 114.86 1vh1 s PHE 88 Ca 0.08 1.56 -0.17 0.00 0.00 0.00 0.00 56.93 58.39 1vh1 s PHE 88 Cb -0.03 -3.42 -0.05 0.00 0.00 0.00 0.00 43.02 39.51 1vh1 s PHE 88 CO 0.90 -1.26 0.73 0.43 -0.00 0.00 0.00 175.22 176.02 1vh1 n SER 89 N 0.43 -0.26 -0.22 1.36 7.64 -1.26 -4.88 113.62 116.43 1vh1 n SER 89 Ca 0.02 0.72 -0.04 0.00 1.01 0.00 0.00 58.87 60.59 1vh1 n SER 89 Cb 0.45 -1.29 0.07 0.00 -1.01 0.00 0.00 64.21 62.44 1vh1 n SER 89 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1vh1 h ASP 90 N 0.13 0.63 0.33 6.43 5.19 -1.94 -2.03 116.42 125.16 1vh1 h ASP 90 Ca -0.47 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1vh1 h ASP 90 Cb 1.37 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1vh1 h ASP 90 CO 0.47 0.43 0.00 -0.90 -3.12 0.00 0.00 179.24 176.13 1vh1 n ASP 91 N -4.72 0.00 -4.67 6.45 3.85 -1.26 -1.32 116.55 114.87 1vh1 n ASP 91 Ca 0.07 -0.10 -0.42 0.00 -0.71 0.00 0.00 54.79 53.62 1vh1 n ASP 91 Cb 0.10 -0.24 -0.03 0.00 -1.35 0.00 0.00 41.12 39.60 1vh1 n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1vh1 s THR 92 N -2.49 3.21 -0.11 2.12 2.01 -0.76 -4.78 115.64 114.85 1vh1 s THR 92 Ca 0.21 0.38 -0.27 0.00 0.31 0.00 0.00 61.69 62.33 1vh1 s THR 92 Cb 0.14 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 1vh1 s THR 92 CO 0.30 -0.03 0.86 0.54 -0.69 0.00 0.00 174.62 175.61 1vh1 s VAL 93 N 3.84 4.89 -0.07 3.82 0.11 -1.26 -0.12 120.40 131.61 1vh1 s VAL 93 Ca 0.79 1.75 0.04 0.00 -2.93 0.00 0.00 61.98 61.63 1vh1 s VAL 93 Cb -0.39 -4.18 -0.02 0.00 -1.53 0.00 0.00 36.38 30.26 1vh1 s VAL 93 CO 0.35 0.09 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.38 1vh1 s ILE 94 N 1.65 2.55 -0.21 7.04 1.01 0.40 -0.47 121.20 133.17 1vh1 s ILE 94 Ca 0.42 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1vh1 s ILE 94 Cb -0.18 -1.98 0.04 0.00 0.01 0.00 0.00 42.46 40.35 1vh1 s ILE 94 CO 0.17 0.57 -0.15 -0.69 0.00 0.00 0.00 174.94 174.84 1vh1 s VAL 95 N -0.26 2.05 -0.37 2.92 1.01 0.60 -0.10 120.40 126.25 1vh1 s VAL 95 Ca 0.00 -1.21 -0.27 0.00 0.00 0.00 0.00 61.98 60.50 1vh1 s VAL 95 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1vh1 s VAL 95 CO 0.03 0.28 1.00 0.21 0.00 0.00 0.00 175.10 176.62 1vh1 s ASN 96 N 1.23 6.74 -0.05 3.32 3.84 -0.65 -1.54 114.94 127.84 1vh1 s ASN 96 Ca -0.01 0.68 0.05 0.00 0.21 0.00 0.00 52.86 53.80 1vh1 s ASN 96 Cb -0.16 -2.50 -0.02 0.00 -0.55 0.00 0.00 41.25 38.02 1vh1 s ASN 96 CO -0.09 -0.92 -0.21 -0.69 -2.79 0.00 0.00 177.10 172.39 1vh1 s VAL 97 N 3.67 2.42 0.12 -5.21 1.01 -0.69 -3.57 120.40 118.15 1vh1 s VAL 97 Ca 0.41 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 1vh1 s VAL 97 Cb -0.11 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.29 1vh1 s VAL 97 CO 0.20 0.58 1.30 -1.10 0.00 0.00 0.00 175.10 176.07 1vh1 s GLN 98 N -0.42 4.38 0.26 2.72 -1.52 -1.26 -3.82 119.66 119.99 1vh1 s GLN 98 Ca 0.04 1.96 0.18 0.00 -1.95 0.00 0.00 55.36 55.60 1vh1 s GLN 98 Cb -0.12 -3.27 0.95 0.00 -0.22 0.00 0.00 33.01 30.36 1vh1 s GLN 98 CO 0.01 -0.32 1.56 0.41 -0.25 0.00 0.00 175.29 176.71 1vh1 n GLY 99 N 3.10 -0.86 1.52 3.09 0.00 -1.02 -2.19 105.19 108.82 1vh1 n GLY 99 Ca 0.09 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 1vh1 n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vh1 n ASP 100 N -2.12 3.01 -3.56 1.61 5.68 -1.26 -4.51 116.55 115.40 1vh1 n ASP 100 Ca -0.01 -3.75 -0.27 0.00 -0.50 0.00 0.00 54.79 50.26 1vh1 n ASP 100 Cb 0.06 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 39.24 1vh1 n ASP 100 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1vh1 n GLU 101 N -1.12 1.62 -0.00 0.11 1.02 -0.93 -0.49 120.64 120.85 1vh1 n GLU 101 Ca 0.42 -4.15 0.00 0.00 -0.02 0.00 0.00 57.16 53.41 1vh1 n GLU 101 Cb 1.20 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 1vh1 n GLU 101 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1vh1 n PRO 102 N 1.68 0.06 -0.24 3.49 -0.02 -1.26 -4.65 135.00 134.05 1vh1 n PRO 102 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1vh1 n PRO 102 Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1vh1 n PRO 102 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1vh1 n ILE 104 N 1.06 -0.53 -1.68 4.25 3.06 -1.26 -4.50 119.36 119.77 1vh1 n ILE 104 Ca 0.00 0.00 -0.50 0.00 -2.50 0.00 0.00 62.75 59.75 1vh1 n ILE 104 Cb 0.03 -0.74 -0.05 0.00 0.54 0.00 0.00 39.64 39.42 1vh1 n ILE 104 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1vh1 n PRO 105 N 2.21 1.90 0.23 9.51 -0.04 -1.26 -4.83 135.00 142.72 1vh1 n PRO 105 Ca 0.00 0.69 0.16 0.00 -0.04 0.00 0.00 63.50 64.32 1vh1 n PRO 105 Cb 0.00 -2.48 0.85 0.00 -0.04 0.00 0.00 33.50 31.83 1vh1 n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vh1 h ALA 106 N 7.81 1.74 -0.89 0.55 0.00 -1.94 -1.88 119.26 124.65 1vh1 h ALA 106 Ca -0.47 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1vh1 h ALA 106 Cb 1.28 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1vh1 h ALA 106 CO 0.92 -0.20 0.58 1.79 0.00 0.00 0.00 179.25 182.34 1vh1 h THR 107 N 0.00 1.04 0.00 0.00 1.35 -1.92 -1.83 112.91 111.55 1vh1 h THR 107 Ca 0.06 -0.33 -0.16 0.00 -0.55 0.00 0.00 66.41 65.42 1vh1 h THR 107 Cb 0.34 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.72 1vh1 h THR 107 CO -0.00 0.18 -0.78 0.16 -0.25 0.00 0.00 175.52 174.83 1vh1 h ILE 108 N 0.97 1.54 -0.50 6.82 3.07 -1.70 0.11 117.51 127.82 1vh1 h ILE 108 Ca 0.39 -2.70 -0.11 0.00 1.55 0.00 0.00 64.86 63.99 1vh1 h ILE 108 Cb 0.26 2.46 -0.02 0.00 -0.27 0.00 0.00 36.82 39.25 1vh1 h ILE 108 CO -0.15 0.77 -0.14 0.40 -1.05 0.00 0.00 178.15 177.98 1vh1 h ILE 109 N 0.00 1.27 -0.27 0.16 2.04 -1.51 -0.89 117.51 118.31 1vh1 h ILE 109 Ca -0.01 -1.28 -0.10 0.00 1.00 0.00 0.00 64.86 64.48 1vh1 h ILE 109 Cb 1.40 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1vh1 h ILE 109 CO 0.10 0.44 -0.22 -0.09 0.00 0.00 0.00 178.15 178.39 1vh1 h ARG 110 N 0.84 0.63 -0.48 2.37 2.43 -1.22 -2.75 114.38 116.21 1vh1 h ARG 110 Ca 0.13 -0.31 0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1vh1 h ARG 110 Cb 0.69 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.15 1vh1 h ARG 110 CO 0.05 0.91 -0.07 0.37 -1.51 0.00 0.00 179.97 179.72 1vh1 h GLN 111 N 0.36 0.04 -0.35 0.20 4.15 -0.23 0.24 115.11 119.52 1vh1 h GLN 111 Ca 0.05 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1vh1 h GLN 111 Cb 0.76 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1vh1 h GLN 111 CO 0.06 0.03 0.14 -0.39 -1.93 0.00 0.00 178.83 176.74 1vh1 h VAL 112 N 0.04 1.19 -0.09 2.39 -1.51 -1.15 -0.65 116.25 116.47 1vh1 h VAL 112 Ca 0.23 -0.57 0.04 0.00 -1.23 0.00 0.00 66.70 65.18 1vh1 h VAL 112 Cb 0.36 0.91 -0.06 0.00 -2.13 0.00 0.00 31.29 30.37 1vh1 h VAL 112 CO -0.45 0.20 -0.27 0.00 -1.23 0.00 0.00 177.57 175.82 1vh1 h ALA 113 N 0.99 -0.30 -0.83 5.19 0.00 -1.08 0.24 119.26 123.48 1vh1 h ALA 113 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1vh1 h ALA 113 Cb 0.18 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1vh1 h ALA 113 CO -0.01 -0.74 0.41 -0.44 0.00 0.00 0.00 179.25 178.47 1vh1 h ASP 114 N -0.36 1.07 -0.83 0.00 3.32 -0.90 0.10 116.42 118.82 1vh1 h ASP 114 Ca 0.09 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1vh1 h ASP 114 Cb 0.49 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1vh1 h ASP 114 CO -0.29 0.89 0.55 0.78 -1.72 0.00 0.00 179.24 179.45 1vh1 h ASN 115 N 1.17 0.96 -0.14 6.45 2.35 -0.22 -1.16 115.58 124.99 1vh1 h ASN 115 Ca 0.29 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.83 1vh1 h ASN 115 Cb 0.10 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1vh1 h ASN 115 CO -0.04 0.70 -0.56 0.25 -1.65 0.00 0.00 177.43 176.12 1vh1 h LEU 116 N 1.13 0.82 -1.37 1.61 7.12 -0.72 -3.18 115.31 120.72 1vh1 h LEU 116 Ca 0.30 -0.45 -0.02 0.00 0.13 0.00 0.00 57.88 57.85 1vh1 h LEU 116 Cb -0.13 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 39.74 1vh1 h LEU 116 CO -0.07 1.21 0.23 0.00 -0.13 0.00 0.00 178.44 179.69 1vh1 h ALA 117 N 0.80 1.52 0.00 1.25 0.00 -0.13 -2.18 119.26 120.51 1vh1 h ALA 117 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vh1 h ALA 117 Cb 1.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1vh1 h ALA 117 CO 0.12 0.39 -0.10 1.04 0.00 0.00 0.00 179.25 180.70 1vh1 n GLN 118 N -4.39 0.20 -4.75 0.00 6.02 -0.50 -4.89 117.38 109.06 1vh1 n GLN 118 Ca 0.04 0.14 -0.29 0.00 -0.01 0.00 0.00 57.00 56.88 1vh1 n GLN 118 Cb 0.12 -1.71 -0.14 0.00 1.02 0.00 0.00 30.24 29.53 1vh1 n GLN 118 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1vh1 s ARG 119 N -3.08 1.64 -1.15 -1.09 0.52 -0.82 -5.02 118.95 109.95 1vh1 s ARG 119 Ca 0.11 -1.14 -0.07 0.00 -0.52 0.00 0.00 55.73 54.11 1vh1 s ARG 119 Cb 0.14 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.71 1vh1 s ARG 119 CO 0.60 0.48 2.82 1.04 0.02 0.00 0.00 175.30 180.26 1vh1 n GLN 120 N 1.58 3.65 -4.50 3.54 6.02 -1.26 -4.85 117.38 121.56 1vh1 n GLN 120 Ca -0.17 -2.53 -0.23 0.00 -0.01 0.00 0.00 57.00 54.06 1vh1 n GLN 120 Cb 0.52 -2.55 -0.11 0.00 1.02 0.00 0.00 30.24 29.13 1vh1 n GLN 120 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1vh1 s VAL 121 N 0.22 1.53 0.20 5.09 0.11 -1.26 -5.06 120.40 121.23 1vh1 s VAL 121 Ca 0.62 -2.03 0.26 0.00 -2.93 0.00 0.00 61.98 57.91 1vh1 s VAL 121 Cb 0.23 -2.79 0.26 0.00 -1.53 0.00 0.00 36.38 32.55 1vh1 s VAL 121 CO -0.09 -0.06 1.90 1.23 -3.33 0.00 0.00 175.10 174.76 1vh1 h GLY 122 N 2.04 0.00 -5.36 6.54 0.00 -1.89 -3.47 103.07 100.94 1vh1 h GLY 122 Ca -0.42 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.96 1vh1 h GLY 122 CO 0.73 0.00 0.39 0.00 0.00 0.00 0.00 176.54 177.65 1vh1 s ALA 124 N -3.78 -1.96 0.37 3.60 0.00 -0.65 -4.45 121.76 114.89 1vh1 s ALA 124 Ca -0.00 1.94 -0.04 0.00 0.00 0.00 0.00 51.96 53.85 1vh1 s ALA 124 Cb 0.11 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1vh1 s ALA 124 CO 0.61 -0.26 0.56 -0.08 0.00 0.00 0.00 175.76 176.58 1vh1 s THR 125 N 0.36 0.00 0.16 0.00 -1.32 0.49 -0.36 115.64 114.97 1vh1 s THR 125 Ca 0.02 -1.47 0.07 0.00 -1.21 0.00 0.00 61.69 59.09 1vh1 s THR 125 Cb -0.05 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 1vh1 s THR 125 CO -0.06 0.00 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.45 1vh1 s LEU 126 N -3.23 2.49 0.06 9.08 1.43 -1.26 -1.84 118.68 125.42 1vh1 s LEU 126 Ca 0.28 -0.93 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1vh1 s LEU 126 Cb -0.02 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1vh1 s LEU 126 CO 0.20 -0.16 0.06 0.00 0.23 0.00 0.00 176.35 176.68 1vh1 s ALA 127 N -2.60 0.18 0.05 4.21 0.00 -0.00 -0.75 121.76 122.84 1vh1 s ALA 127 Ca 0.16 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1vh1 s ALA 127 Cb -0.02 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1vh1 s ALA 127 CO 0.05 -0.41 -0.10 0.14 0.00 0.00 0.00 175.76 175.44 1vh1 s VAL 128 N -3.70 0.77 0.49 0.00 -7.23 0.14 -1.06 120.40 109.81 1vh1 s VAL 128 Ca 0.04 -1.06 -0.24 0.00 -1.81 0.00 0.00 61.98 58.92 1vh1 s VAL 128 Cb 0.06 -0.78 -0.07 0.00 0.56 0.00 0.00 36.38 36.15 1vh1 s VAL 128 CO -0.10 -0.24 1.36 -2.84 -0.31 0.00 0.00 175.10 172.98 1vh1 s PRO 129 N -1.43 3.47 -0.24 4.82 0.02 -1.26 0.62 135.00 141.00 1vh1 s PRO 129 Ca -0.05 2.25 -0.10 0.00 0.02 0.00 0.00 61.00 63.13 1vh1 s PRO 129 Cb -0.09 -2.46 -0.05 0.00 0.02 0.00 0.00 34.50 31.92 1vh1 s PRO 129 CO 0.01 -0.93 0.14 0.42 -0.33 0.00 0.00 177.00 176.31 1vh1 s ILE 130 N -1.28 5.16 -0.23 2.83 1.01 -0.74 -4.70 121.20 123.25 1vh1 s ILE 130 Ca 0.66 0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.49 1vh1 s ILE 130 Cb -0.40 -3.41 -0.19 0.00 0.01 0.00 0.00 42.46 38.47 1vh1 s ILE 130 CO 0.50 0.34 -0.11 1.41 0.00 0.00 0.00 174.94 177.07 1vh1 n HIS 131 N 4.43 0.00 -3.15 3.97 8.25 -1.26 -4.69 115.22 122.77 1vh1 n HIS 131 Ca -0.15 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 1vh1 n HIS 131 Cb 0.52 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.63 1vh1 n HIS 131 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1vh1 s ASN 132 N -6.00 6.92 0.47 0.41 0.01 -1.26 -4.94 114.94 110.55 1vh1 s ASN 132 Ca -0.24 1.11 0.20 0.00 -0.71 0.00 0.00 52.86 53.21 1vh1 s ASN 132 Cb 0.07 -2.37 1.18 0.00 0.41 0.00 0.00 41.25 40.54 1vh1 s ASN 132 CO 0.65 -0.02 2.02 0.00 -1.51 0.00 0.00 177.10 178.24 1vh1 h ALA 133 N 6.37 1.50 -0.33 0.60 0.00 -1.92 -2.72 119.26 122.76 1vh1 h ALA 133 Ca -0.42 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1vh1 h ALA 133 Cb 1.19 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1vh1 h ALA 133 CO 0.73 0.21 0.07 1.05 0.00 0.00 0.00 179.25 181.31 1vh1 h GLU 134 N 0.00 0.18 -0.61 0.00 9.09 -1.93 -1.24 114.58 120.07 1vh1 h GLU 134 Ca -0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 1vh1 h GLU 134 Cb 0.35 -0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.38 1vh1 h GLU 134 CO 0.02 0.12 0.30 1.49 0.05 0.00 0.00 179.01 180.99 1vh1 h GLU 135 N 0.18 0.85 0.00 1.06 4.81 -1.86 -1.53 114.58 118.10 1vh1 h GLU 135 Ca 0.15 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1vh1 h GLU 135 Cb 0.17 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1vh1 h GLU 135 CO -0.20 0.65 -0.26 0.00 -0.73 0.00 0.00 179.01 178.48 1vh1 h ALA 136 N 1.48 1.41 -0.15 2.92 0.00 -1.11 -2.77 119.26 121.03 1vh1 h ALA 136 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vh1 h ALA 136 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vh1 h ALA 136 CO -0.03 0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.73 1vh1 n PHE 137 N -4.00 0.18 -3.32 0.00 3.72 -0.76 -4.49 117.46 108.79 1vh1 n PHE 137 Ca -0.02 -0.12 -0.39 0.00 -0.05 0.00 0.00 57.45 56.87 1vh1 n PHE 137 Cb 0.33 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.79 1vh1 n PHE 137 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1vh1 s ASN 138 N -1.40 6.44 0.52 4.37 3.84 -0.63 -4.98 114.94 123.10 1vh1 s ASN 138 Ca 0.25 0.52 0.29 0.00 0.21 0.00 0.00 52.86 54.13 1vh1 s ASN 138 Cb 0.16 -2.25 1.42 0.00 -0.55 0.00 0.00 41.25 40.03 1vh1 s ASN 138 CO 0.24 -0.16 2.04 1.55 -2.79 0.00 0.00 177.10 177.97 1vh1 h PRO 139 N 7.66 0.00 0.00 0.43 0.13 -1.87 -1.31 132.00 137.04 1vh1 h PRO 139 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1vh1 h PRO 139 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1vh1 h PRO 139 CO 0.71 0.12 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 1vh1 n ASN 140 N -3.48 0.43 -4.65 1.44 3.02 -1.26 -4.40 115.26 106.36 1vh1 n ASN 140 Ca -0.01 0.59 -0.38 0.00 -0.03 0.00 0.00 54.58 54.75 1vh1 n ASN 140 Cb 0.27 -0.68 -0.09 0.00 -0.61 0.00 0.00 39.78 38.67 1vh1 n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vh1 s ALA 141 N -3.16 3.58 -0.09 5.41 0.00 -0.50 -5.07 121.76 121.93 1vh1 s ALA 141 Ca 0.07 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 1vh1 s ALA 141 Cb 0.11 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1vh1 s ALA 141 CO 0.40 -0.36 0.48 0.08 0.00 0.00 0.00 175.76 176.37 1vh1 s VAL 142 N 1.41 5.14 0.09 0.00 1.01 -1.26 -4.73 120.40 122.06 1vh1 s VAL 142 Ca 0.13 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1vh1 s VAL 142 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1vh1 s VAL 142 CO 0.07 0.37 0.24 -0.54 0.00 0.00 0.00 175.10 175.24 1vh1 s LYS 143 N 0.34 3.44 -0.01 2.72 3.01 0.66 -1.15 119.74 128.75 1vh1 s LYS 143 Ca 0.26 -0.49 0.01 0.00 -1.01 0.00 0.00 55.97 54.75 1vh1 s LYS 143 Cb -0.16 -3.01 0.00 0.00 -1.01 0.00 0.00 37.83 33.66 1vh1 s LYS 143 CO 0.11 0.57 -0.04 0.54 0.51 0.00 0.00 175.35 177.05 1vh1 s VAL 144 N -1.60 0.31 -0.11 3.17 0.11 -0.85 -0.98 120.40 120.45 1vh1 s VAL 144 Ca 0.35 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1vh1 s VAL 144 Cb -0.12 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1vh1 s VAL 144 CO 0.28 0.10 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.31 1vh1 s VAL 145 N 0.04 2.94 0.20 2.04 1.01 -0.74 -4.33 120.40 121.56 1vh1 s VAL 145 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1vh1 s VAL 145 Cb -0.03 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1vh1 s VAL 145 CO -0.00 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 175.02 1vh1 s LEU 146 N 0.11 3.74 0.69 3.92 1.02 -1.26 0.45 118.68 127.35 1vh1 s LEU 146 Ca -0.07 -0.21 -0.01 0.00 0.02 0.00 0.00 54.13 53.86 1vh1 s LEU 146 Cb -0.15 -2.33 0.10 0.00 0.02 0.00 0.00 46.19 43.84 1vh1 s LEU 146 CO 0.05 0.03 0.95 1.51 0.02 0.00 0.00 176.35 178.91 1vh1 s ASP 147 N -3.36 4.56 0.44 2.29 1.47 -0.32 -4.83 116.67 116.93 1vh1 s ASP 147 Ca 0.31 -0.24 0.20 0.00 1.18 0.00 0.00 52.55 54.00 1vh1 s ASP 147 Cb -0.09 -0.26 1.10 0.00 -0.34 0.00 0.00 42.92 43.33 1vh1 s ASP 147 CO 0.23 -1.70 1.56 0.00 0.68 0.00 0.00 175.17 175.95 1vh1 h ALA 148 N -0.41 1.22 -0.23 2.11 0.00 -2.01 -1.58 119.26 118.36 1vh1 h ALA 148 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1vh1 h ALA 148 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1vh1 h ALA 148 CO 0.44 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1vh1 n GLU 149 N -2.37 2.29 -0.41 0.00 1.02 -1.26 -4.97 120.64 114.94 1vh1 n GLU 149 Ca -0.01 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 1vh1 n GLU 149 Cb 0.30 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1vh1 n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vh1 n GLY 150 N 0.40 0.76 3.70 0.62 0.00 -0.59 -4.88 105.19 105.20 1vh1 n GLY 150 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1vh1 n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vh1 s TYR 151 N -2.31 3.59 0.18 1.61 1.51 -1.26 0.45 117.35 121.12 1vh1 s TYR 151 Ca 0.00 1.62 -0.32 0.00 -1.01 0.00 0.00 57.07 57.36 1vh1 s TYR 151 Cb 0.00 -3.12 -0.11 0.00 -0.11 0.00 0.00 41.96 38.61 1vh1 s TYR 151 CO 0.00 -0.09 1.75 0.00 -1.11 0.00 0.00 175.55 176.09 1vh1 s ALA 152 N 1.41 3.88 -0.05 3.71 0.00 0.22 -1.17 121.76 129.76 1vh1 s ALA 152 Ca 0.49 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.92 1vh1 s ALA 152 Cb -0.20 -3.71 -0.29 0.00 0.00 0.00 0.00 23.12 18.92 1vh1 s ALA 152 CO 0.23 -1.00 0.67 -0.07 0.00 0.00 0.00 175.76 175.59 1vh1 h LEU 153 N 7.33 0.50 -7.00 0.00 4.07 -0.32 -3.43 115.31 116.45 1vh1 h LEU 153 Ca -0.44 -0.79 0.07 0.00 0.08 0.00 0.00 57.88 56.81 1vh1 h LEU 153 Cb 1.21 -0.16 -0.23 0.00 1.08 0.00 0.00 40.66 42.56 1vh1 h LEU 153 CO 0.95 1.67 0.52 -0.47 -1.08 0.00 0.00 178.44 180.04 1vh1 s TYR 154 N -2.59 -0.39 -0.02 1.13 6.04 -1.19 -5.02 117.35 115.31 1vh1 s TYR 154 Ca -0.15 0.67 0.07 0.00 0.04 0.00 0.00 57.07 57.70 1vh1 s TYR 154 Cb 0.06 0.45 -0.02 0.00 -1.04 0.00 0.00 41.96 41.41 1vh1 s TYR 154 CO 0.84 -0.36 -0.23 -0.06 -1.54 0.00 0.00 175.55 174.20 1vh1 s PHE 155 N -1.10 2.43 0.16 4.97 0.40 -1.26 -1.80 117.98 121.78 1vh1 s PHE 155 Ca -0.02 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 1vh1 s PHE 155 Cb -0.00 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1vh1 s PHE 155 CO 0.02 0.03 0.43 0.45 0.70 0.00 0.00 175.22 176.85 1vh1 s SER 156 N -0.67 -0.18 0.00 1.36 0.15 -0.15 -4.99 113.70 109.22 1vh1 s SER 156 Ca 0.11 -0.51 0.20 0.00 0.70 0.00 0.00 55.95 56.44 1vh1 s SER 156 Cb -0.10 0.51 -0.21 0.00 -1.71 0.00 0.00 66.02 64.51 1vh1 s SER 156 CO -0.00 -0.95 0.85 0.54 1.20 0.00 0.00 173.24 174.87 1vh1 n ARG 157 N -0.27 0.48 -1.56 5.44 1.74 -1.26 -0.25 116.66 120.99 1vh1 n ARG 157 Ca -0.12 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.64 1vh1 n ARG 157 Cb 0.63 -1.43 0.08 0.00 -1.02 0.00 0.00 32.46 30.72 1vh1 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vh1 s ALA 158 N -2.86 2.36 -0.62 7.54 0.00 -1.26 -4.15 121.76 122.77 1vh1 s ALA 158 Ca 0.08 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 1vh1 s ALA 158 Cb 0.15 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.19 1vh1 s ALA 158 CO 0.81 -1.60 1.09 0.99 0.00 0.00 0.00 175.76 177.04 1vh1 s THR 159 N -3.13 4.13 0.05 0.00 2.01 -1.26 -4.67 115.64 112.77 1vh1 s THR 159 Ca 0.60 0.37 0.04 0.00 0.31 0.00 0.00 61.69 63.01 1vh1 s THR 159 Cb -0.14 -4.70 -0.02 0.00 0.01 0.00 0.00 72.50 67.64 1vh1 s THR 159 CO 0.54 -1.40 -0.13 0.27 -0.69 0.00 0.00 174.62 173.22 1vh1 s ILE 160 N 4.63 1.01 0.59 1.82 -4.36 -1.26 -3.68 121.20 119.94 1vh1 s ILE 160 Ca 0.33 -1.13 -0.18 0.00 -0.26 0.00 0.00 60.65 59.42 1vh1 s ILE 160 Cb -0.11 -0.96 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 1vh1 s ILE 160 CO 0.18 -0.15 1.12 -2.16 0.24 0.00 0.00 174.94 174.17 1vh1 s PRO 161 N -1.45 3.16 -0.15 0.37 0.04 -1.26 -4.55 135.00 131.16 1vh1 s PRO 161 Ca -0.02 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1vh1 s PRO 161 Cb -0.09 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1vh1 s PRO 161 CO 0.02 -0.98 1.22 -0.46 0.04 0.00 0.00 177.00 176.84 1vh1 s TRP 162 N -2.01 2.98 -0.95 0.56 -0.11 -1.24 -4.95 118.94 113.21 1vh1 s TRP 162 Ca 0.70 1.11 -0.22 0.00 1.22 0.00 0.00 56.10 58.91 1vh1 s TRP 162 Cb -0.22 -3.46 0.07 0.00 -1.50 0.00 0.00 33.47 28.36 1vh1 s TRP 162 CO 0.32 -1.47 1.32 0.34 -4.62 0.00 0.00 176.95 172.84 1vh1 s ASP 163 N 1.78 6.49 0.06 5.86 -1.08 -1.26 -4.92 116.67 123.60 1vh1 s ASP 163 Ca 0.54 -1.52 -0.12 0.00 -0.52 0.00 0.00 52.55 50.93 1vh1 s ASP 163 Cb -0.22 -2.51 -0.03 0.00 -1.46 0.00 0.00 42.92 38.71 1vh1 s ASP 163 CO 0.15 -1.40 1.20 -0.09 0.52 0.00 0.00 175.17 175.55 1vh1 h ARG 164 N 9.52 -0.02 -0.30 4.34 1.12 -1.97 0.21 114.38 127.30 1vh1 h ARG 164 Ca 0.12 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.83 1vh1 h ARG 164 Cb 1.02 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.98 1vh1 h ARG 164 CO 1.31 -0.01 -0.45 -0.44 -3.11 0.00 0.00 179.97 177.27 1vh1 h ASP 165 N -0.02 0.84 0.11 -3.80 5.19 -2.00 -2.14 116.42 114.60 1vh1 h ASP 165 Ca 0.06 -0.41 -0.13 0.00 -0.62 0.00 0.00 57.03 55.93 1vh1 h ASP 165 Cb 0.16 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1vh1 h ASP 165 CO -0.34 1.16 -0.46 -0.09 -3.12 0.00 0.00 179.24 176.39 1vh1 h ARG 166 N 0.62 0.42 -0.01 3.56 2.43 -1.91 -3.17 114.38 116.32 1vh1 h ARG 166 Ca 0.04 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1vh1 h ARG 166 Cb 1.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1vh1 h ARG 166 CO 0.10 0.80 -0.38 1.19 -1.51 0.00 0.00 179.97 180.16 1vh1 n PHE 167 N -3.99 0.00 -0.33 2.20 0.99 0.72 -4.55 117.46 112.50 1vh1 n PHE 167 Ca -0.02 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.57 1vh1 n PHE 167 Cb 0.54 -0.07 0.28 0.00 -1.00 0.00 0.00 39.48 39.22 1vh1 n PHE 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vh1 h ALA 168 N 3.71 1.15 -3.11 4.37 0.00 -1.35 -2.95 119.26 121.08 1vh1 h ALA 168 Ca 0.00 0.32 -0.71 0.00 0.00 0.00 0.00 54.91 54.52 1vh1 h ALA 168 Cb 0.60 0.55 -0.34 0.00 0.00 0.00 0.00 17.79 18.60 1vh1 h ALA 168 CO 0.00 -0.55 -0.35 -1.83 0.00 0.00 0.00 179.25 176.52 1vh1 s GLU 169 N -6.00 2.58 1.85 0.00 1.03 -1.26 -5.05 118.70 111.84 1vh1 s GLU 169 Ca -0.13 -2.41 0.00 0.00 0.03 0.00 0.00 54.97 52.46 1vh1 s GLU 169 Cb 0.28 -3.78 0.00 0.00 -0.80 0.00 0.00 34.13 29.83 1vh1 s GLU 169 CO 0.78 -1.17 0.00 0.41 -1.33 0.00 0.00 175.26 173.94 1vh1 n GLY 170 N 3.72 -1.08 2.76 -3.83 0.00 -1.11 -4.74 105.19 100.91 1vh1 n GLY 170 Ca 0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 1vh1 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vh1 s LEU 171 N 0.00 2.79 -0.12 0.99 1.43 -1.26 -4.44 118.68 118.07 1vh1 s LEU 171 Ca 0.00 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 50.93 1vh1 s LEU 171 Cb 0.00 -1.05 -0.07 0.00 0.03 0.00 0.00 46.19 45.10 1vh1 s LEU 171 CO 0.00 -0.34 -0.11 1.21 0.23 0.00 0.00 176.35 177.34 1vh1 n GLU 172 N 4.15 0.29 -4.31 1.70 2.13 -1.26 -5.07 120.64 118.27 1vh1 n GLU 172 Ca 0.04 0.07 -0.16 0.00 0.66 0.00 0.00 57.16 57.77 1vh1 n GLU 172 Cb 0.38 -1.20 -0.10 0.00 0.27 0.00 0.00 31.44 30.79 1vh1 n GLU 172 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1vh1 s THR 173 N -2.24 1.00 0.05 6.31 -1.32 -1.26 -4.94 115.64 113.24 1vh1 s THR 173 Ca -0.16 -2.03 0.02 0.00 -1.21 0.00 0.00 61.69 58.31 1vh1 s THR 173 Cb 0.04 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.73 1vh1 s THR 173 CO 0.27 -0.38 -0.07 0.54 -2.21 0.00 0.00 174.62 172.77 1vh1 s VAL 174 N -3.45 0.51 0.00 5.08 0.11 -1.26 -4.96 120.40 116.43 1vh1 s VAL 174 Ca 0.27 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1vh1 s VAL 174 Cb 0.05 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1vh1 s VAL 174 CO 0.07 -0.53 0.00 0.61 -3.33 0.00 0.00 175.10 171.93 1vh1 n GLY 175 N 1.10 -1.16 0.45 6.54 0.00 -1.26 -5.00 105.19 105.86 1vh1 n GLY 175 Ca -0.20 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.30 1vh1 n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vh1 n ASP 176 N -0.00 2.31 0.01 1.61 10.43 -1.26 -4.69 116.55 124.95 1vh1 n ASP 176 Ca 0.00 -1.72 0.12 0.00 2.57 0.00 0.00 54.79 55.76 1vh1 n ASP 176 Cb 0.00 -0.10 0.26 0.00 1.84 0.00 0.00 41.12 43.12 1vh1 n ASP 176 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1vh1 n ASN 177 N 0.41 0.49 -4.76 -2.24 6.94 -1.26 -4.82 115.26 110.02 1vh1 n ASN 177 Ca 0.08 -0.15 -0.38 0.00 -0.02 0.00 0.00 54.58 54.10 1vh1 n ASN 177 Cb 0.32 0.20 0.01 0.00 -2.36 0.00 0.00 39.78 37.95 1vh1 n ASN 177 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1vh1 s PHE 178 N -3.02 2.59 -0.10 -2.53 0.40 -1.26 -4.97 117.98 109.09 1vh1 s PHE 178 Ca 0.10 1.43 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 1vh1 s PHE 178 Cb 0.17 -3.65 0.02 0.00 0.51 0.00 0.00 43.02 40.07 1vh1 s PHE 178 CO 0.69 -2.29 -0.13 -0.51 0.70 0.00 0.00 175.22 173.68 1vh1 s LEU 179 N -3.10 1.58 -0.19 -0.37 1.43 -1.26 -1.79 118.68 114.98 1vh1 s LEU 179 Ca 0.65 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 1vh1 s LEU 179 Cb -0.36 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 1vh1 s LEU 179 CO 0.44 -0.01 0.26 -0.60 0.23 0.00 0.00 176.35 176.67 1vh1 s ARG 180 N 1.07 4.20 0.08 1.70 3.52 0.20 -2.01 118.95 127.71 1vh1 s ARG 180 Ca -0.06 -0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 1vh1 s ARG 180 Cb -0.15 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 1vh1 s ARG 180 CO -0.02 0.17 1.02 -1.58 -0.81 0.00 0.00 175.30 174.08 1vh1 s HIS 181 N 0.71 3.68 -0.06 5.12 5.65 -0.30 0.28 115.29 130.36 1vh1 s HIS 181 Ca 0.14 1.67 -0.11 0.00 0.25 0.00 0.00 55.06 57.01 1vh1 s HIS 181 Cb -0.13 -3.16 -0.05 0.00 -1.18 0.00 0.00 32.58 28.06 1vh1 s HIS 181 CO 0.04 -0.19 0.27 -0.51 -0.65 0.00 0.00 174.74 173.69 1vh1 s LEU 182 N 0.41 4.43 -0.62 8.88 1.43 0.07 -4.70 118.68 128.58 1vh1 s LEU 182 Ca 0.51 0.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.25 1vh1 s LEU 182 Cb -0.24 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 1vh1 s LEU 182 CO 0.30 0.37 3.10 0.61 0.23 0.00 0.00 176.35 180.95 1vh1 n GLY 183 N 1.92 3.92 3.14 -3.19 0.00 -1.26 -4.29 105.19 105.43 1vh1 n GLY 183 Ca -0.17 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 1vh1 n GLY 183 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vh1 s ILE 184 N 0.04 2.05 0.17 -0.61 2.07 -1.26 -4.80 121.20 118.85 1vh1 s ILE 184 Ca 0.64 -0.95 0.08 0.00 -1.41 0.00 0.00 60.65 59.01 1vh1 s ILE 184 Cb 0.29 -1.83 -0.04 0.00 0.13 0.00 0.00 42.46 41.01 1vh1 s ILE 184 CO -0.09 0.54 -0.17 -0.31 -1.91 0.00 0.00 174.94 173.01 1vh1 s TYR 185 N 1.07 1.76 0.00 3.50 1.51 -1.23 -4.06 117.35 119.90 1vh1 s TYR 185 Ca -0.01 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1vh1 s TYR 185 Cb -0.14 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 1vh1 s TYR 185 CO -0.08 0.33 -0.11 0.20 -1.11 0.00 0.00 175.55 174.78 1vh1 s GLY 186 N -2.80 0.54 0.06 0.71 0.00 0.51 -1.63 107.32 104.71 1vh1 s GLY 186 Ca 0.17 -0.51 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 1vh1 s GLY 186 CO 0.06 -0.44 0.81 -2.52 0.00 0.00 0.00 173.10 171.01 1vh1 s TYR 187 N -0.37 -0.37 0.69 1.90 -0.00 0.86 -1.64 117.35 118.41 1vh1 s TYR 187 Ca 0.03 0.19 -0.11 0.00 -0.00 0.00 0.00 57.07 57.18 1vh1 s TYR 187 Cb -0.05 0.56 0.01 0.00 -0.00 0.00 0.00 41.96 42.48 1vh1 s TYR 187 CO -0.00 -0.68 1.07 1.03 -0.00 0.00 0.00 175.55 176.97 1vh1 s ARG 188 N -3.33 2.96 0.21 -3.49 1.81 -1.26 0.15 118.95 116.00 1vh1 s ARG 188 Ca 0.05 0.70 -0.07 0.00 -1.72 0.00 0.00 55.73 54.69 1vh1 s ARG 188 Cb -0.01 -2.01 0.16 0.00 -0.45 0.00 0.00 34.95 32.63 1vh1 s ARG 188 CO -0.08 -1.01 1.68 0.00 -0.68 0.00 0.00 175.30 175.20 1vh1 h ALA 189 N -0.65 0.92 -0.86 2.13 0.00 0.52 -2.51 119.26 118.81 1vh1 h ALA 189 Ca -0.45 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.21 1vh1 h ALA 189 Cb 1.23 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1vh1 h ALA 189 CO 0.61 0.64 0.55 0.78 0.00 0.00 0.00 179.25 181.83 1vh1 h GLY 190 N 0.99 1.28 1.21 0.00 0.00 -1.40 -2.61 103.07 102.54 1vh1 h GLY 190 Ca 0.16 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1vh1 h GLY 190 CO 0.03 0.31 -0.20 -2.75 0.00 0.00 0.00 176.54 173.93 1vh1 h PHE 191 N 1.03 1.03 -0.85 5.60 3.57 -1.73 -2.55 116.94 123.04 1vh1 h PHE 191 Ca 0.36 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1vh1 h PHE 191 Cb 0.09 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.53 1vh1 h PHE 191 CO -0.03 1.02 0.54 0.82 -2.23 0.00 0.00 178.31 178.44 1vh1 h ILE 192 N 0.79 1.11 -0.36 1.41 2.04 -1.20 0.45 117.51 121.76 1vh1 h ILE 192 Ca 0.11 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1vh1 h ILE 192 Cb 0.75 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1vh1 h ILE 192 CO 0.06 0.19 0.14 0.03 0.00 0.00 0.00 178.15 178.57 1vh1 h ARG 193 N 1.03 0.55 0.24 2.37 3.08 -1.32 -1.54 114.38 118.79 1vh1 h ARG 193 Ca 0.35 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 1vh1 h ARG 193 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1vh1 h ARG 193 CO -0.13 0.54 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.11 1vh1 h ARG 194 N 0.44 -0.31 -0.39 0.04 2.43 -1.05 -0.36 114.38 115.19 1vh1 h ARG 194 Ca 0.12 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1vh1 h ARG 194 Cb 0.20 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.73 1vh1 h ARG 194 CO -0.01 -0.13 -0.38 -0.92 -1.51 0.00 0.00 179.97 177.01 1vh1 h TYR 195 N -0.41 -1.10 0.00 2.20 3.20 -0.89 0.39 116.97 120.36 1vh1 h TYR 195 Ca -0.03 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1vh1 h TYR 195 Cb 0.31 0.54 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1vh1 h TYR 195 CO -0.03 -0.42 -0.04 0.28 -1.64 0.00 0.00 178.16 176.31 1vh1 h VAL 196 N -0.30 0.10 0.00 1.81 2.07 -1.22 -2.63 116.25 116.08 1vh1 h VAL 196 Ca 0.15 -0.60 -0.19 0.00 0.82 0.00 0.00 66.70 66.88 1vh1 h VAL 196 Cb 0.57 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1vh1 h VAL 196 CO -0.55 0.04 -0.91 -1.13 0.02 0.00 0.00 177.57 175.04 1vh1 h ASN 197 N 0.00 0.00 -4.00 0.57 -1.24 0.15 -3.47 115.58 107.59 1vh1 h ASN 197 Ca -0.00 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.47 1vh1 h ASN 197 Cb 0.54 0.00 0.19 0.00 0.73 0.00 0.00 38.32 39.78 1vh1 h ASN 197 CO 0.00 0.89 0.10 0.79 -1.29 0.00 0.00 177.43 177.93 1vh1 n TRP 198 N -3.31 0.58 -2.81 0.67 8.01 0.02 -4.99 117.44 115.61 1vh1 n TRP 198 Ca 0.00 0.37 -0.40 0.00 -1.31 0.00 0.00 57.50 56.16 1vh1 n TRP 198 Cb 0.90 -2.02 -0.05 0.00 -2.01 0.00 0.00 31.31 28.13 1vh1 n TRP 198 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1vh1 s GLN 199 N -4.02 4.69 0.29 -0.99 0.74 -1.26 -4.97 119.66 114.14 1vh1 s GLN 199 Ca 0.69 1.35 -0.29 0.00 0.05 0.00 0.00 55.36 57.16 1vh1 s GLN 199 Cb -0.27 -3.33 -0.13 0.00 1.10 0.00 0.00 33.01 30.37 1vh1 s GLN 199 CO 0.55 0.36 1.22 -2.30 -0.55 0.00 0.00 175.29 174.58 1vh1 n PRO 200 N 2.28 1.81 -1.97 1.67 -0.02 -1.26 -4.96 135.00 132.55 1vh1 n PRO 200 Ca -0.01 0.64 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 1vh1 n PRO 200 Cb 0.49 -2.17 0.01 0.00 -0.02 0.00 0.00 33.50 31.81 1vh1 n PRO 200 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1vh1 s SER 201 N -0.23 6.15 0.26 2.55 1.04 -1.26 -4.97 113.70 117.25 1vh1 s SER 201 Ca 0.60 1.52 -0.01 0.00 0.48 0.00 0.00 55.95 58.55 1vh1 s SER 201 Cb -0.65 -2.49 0.35 0.00 0.10 0.00 0.00 66.02 63.34 1vh1 s SER 201 CO 0.58 -0.92 1.75 1.55 0.98 0.00 0.00 173.24 177.18 1vh1 h PRO 202 N -0.02 0.71 -0.51 4.02 0.13 -2.00 -3.19 132.00 131.16 1vh1 h PRO 202 Ca -0.45 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.42 1vh1 h PRO 202 Cb 1.19 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1vh1 h PRO 202 CO 0.61 0.77 0.10 1.25 -0.23 0.00 0.00 178.00 180.50 1vh1 h LEU 203 N 0.66 0.79 -1.32 1.56 5.85 -1.95 -2.96 115.31 117.94 1vh1 h LEU 203 Ca 0.12 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1vh1 h LEU 203 Cb 0.51 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1vh1 h LEU 203 CO 0.03 0.83 0.23 1.05 -0.34 0.00 0.00 178.44 180.25 1vh1 h GLU 204 N 0.71 0.70 0.00 1.25 4.11 -1.80 -2.51 114.58 117.04 1vh1 h GLU 204 Ca 0.16 -0.08 -0.12 0.00 0.07 0.00 0.00 59.36 59.38 1vh1 h GLU 204 Cb 0.37 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1vh1 h GLU 204 CO 0.01 0.55 -0.59 0.45 0.07 0.00 0.00 179.01 179.49 1vh1 h HIS 205 N 0.70 0.00 -0.09 2.06 3.86 -1.65 0.14 115.15 120.16 1vh1 h HIS 205 Ca 0.17 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1vh1 h HIS 205 Cb 0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1vh1 h HIS 205 CO 0.01 0.59 -0.03 0.82 0.86 0.00 0.00 177.93 180.18 1vh1 h ILE 206 N 0.00 1.30 0.00 2.45 2.04 -1.29 -3.46 117.51 118.55 1vh1 h ILE 206 Ca -0.01 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1vh1 h ILE 206 Cb 1.45 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1vh1 h ILE 206 CO 0.08 0.27 0.00 -0.62 0.00 0.00 0.00 178.15 177.88 1vh1 n GLU 207 N -4.77 0.00 0.00 2.37 -0.58 -1.05 -5.13 120.64 111.48 1vh1 n GLU 207 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1vh1 n GLU 207 Cb 0.24 -0.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.80 1vh1 n GLU 207 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1vh1 n LEU 209 N -0.73 0.00 -0.28 -4.62 7.94 0.48 -4.88 117.00 114.92 1vh1 n LEU 209 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 1vh1 n LEU 209 Cb 0.00 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.09 1vh1 n LEU 209 CO 0.00 0.00 0.76 1.05 -1.11 0.00 0.00 177.39 178.09 1vh1 h GLU 210 N 0.00 0.04 -0.04 1.96 4.11 -1.98 -0.25 114.58 118.42 1vh1 h GLU 210 Ca 0.00 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1vh1 h GLU 210 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1vh1 h GLU 210 CO 0.00 0.03 0.31 -0.56 0.07 0.00 0.00 179.01 178.86 1vh1 h GLN 211 N 0.04 0.00 0.00 1.06 -0.00 -2.02 -1.94 115.11 112.26 1vh1 h GLN 211 Ca 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.03 1vh1 h GLN 211 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.19 1vh1 h GLN 211 CO -0.77 0.00 -0.18 -0.07 -0.00 0.00 0.00 178.83 177.81 1vh1 h LEU 212 N 0.00 0.00 -1.10 0.06 3.38 -1.41 -2.12 115.31 114.12 1vh1 h LEU 212 Ca 0.02 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1vh1 h LEU 212 Cb 0.64 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 1vh1 h LEU 212 CO -0.00 0.18 0.61 -0.09 0.09 0.00 0.00 178.44 179.24 1vh1 h ARG 213 N 0.00 0.94 -0.21 1.13 2.43 -1.54 0.19 114.38 117.32 1vh1 h ARG 213 Ca -0.00 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1vh1 h ARG 213 Cb 0.43 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1vh1 h ARG 213 CO 0.02 0.62 0.10 0.28 -1.51 0.00 0.00 179.97 179.49 1vh1 h VAL 214 N 0.97 0.99 -0.41 0.20 2.07 -1.58 -1.52 116.25 116.97 1vh1 h VAL 214 Ca 0.45 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.74 1vh1 h VAL 214 Cb 0.41 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1vh1 h VAL 214 CO -0.21 0.04 -0.33 -0.07 0.02 0.00 0.00 177.57 177.02 1vh1 h LEU 215 N 0.22 1.00 -0.64 2.57 3.38 -1.43 -1.47 115.31 118.95 1vh1 h LEU 215 Ca 0.09 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.68 1vh1 h LEU 215 Cb 0.02 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1vh1 h LEU 215 CO -0.06 1.23 0.34 -0.25 0.09 0.00 0.00 178.44 179.79 1vh1 h TRP 216 N 0.79 0.63 0.00 1.13 2.91 -0.35 0.05 115.95 121.11 1vh1 h TRP 216 Ca 0.08 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1vh1 h TRP 216 Cb 0.92 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1vh1 h TRP 216 CO 0.06 0.29 0.00 0.66 -1.03 0.00 0.00 178.44 178.42 1vh1 n TYR 217 N -4.82 0.00 -2.84 2.65 4.02 -0.60 -4.82 117.16 110.75 1vh1 n TYR 217 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.76 1vh1 n TYR 217 Cb 0.18 -0.08 0.02 0.00 -0.02 0.00 0.00 39.34 39.44 1vh1 n TYR 217 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vh1 n GLY 218 N 0.09 -0.43 3.81 2.72 0.00 0.00 -5.01 105.19 106.37 1vh1 n GLY 218 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1vh1 n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vh1 s GLU 219 N -5.48 2.59 0.31 1.61 0.41 -0.56 -5.03 118.70 112.55 1vh1 s GLU 219 Ca 0.22 -1.39 0.08 0.00 -0.41 0.00 0.00 54.97 53.48 1vh1 s GLU 219 Cb -0.10 -2.37 -0.04 0.00 -1.78 0.00 0.00 34.13 29.84 1vh1 s GLU 219 CO 0.28 0.09 0.11 0.15 -0.49 0.00 0.00 175.26 175.39 1vh1 s LYS 220 N -3.95 2.39 -0.08 1.61 -0.14 -1.26 -4.11 119.74 114.21 1vh1 s LYS 220 Ca 0.40 -1.48 0.01 0.00 -1.36 0.00 0.00 55.97 53.54 1vh1 s LYS 220 Cb -0.04 -2.20 0.02 0.00 -1.68 0.00 0.00 37.83 33.92 1vh1 s LYS 220 CO 0.25 0.20 -0.08 0.42 -0.76 0.00 0.00 175.35 175.38 1vh1 s ILE 221 N -2.38 0.91 -0.11 2.17 1.01 -1.26 -3.60 121.20 117.93 1vh1 s ILE 221 Ca 0.36 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 1vh1 s ILE 221 Cb -0.04 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1vh1 s ILE 221 CO 0.22 0.32 0.39 -2.28 0.00 0.00 0.00 174.94 173.59 1vh1 s HIS 222 N 1.18 3.53 0.05 3.97 5.65 -1.26 -0.61 115.29 127.80 1vh1 s HIS 222 Ca -0.06 0.79 0.08 0.00 0.25 0.00 0.00 55.06 56.13 1vh1 s HIS 222 Cb -0.14 -2.41 -0.03 0.00 -1.18 0.00 0.00 32.58 28.81 1vh1 s HIS 222 CO -0.02 0.29 -0.22 0.08 -0.65 0.00 0.00 174.74 174.22 1vh1 s VAL 223 N 0.23 2.50 0.08 0.89 1.01 0.17 -0.38 120.40 124.90 1vh1 s VAL 223 Ca 0.22 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1vh1 s VAL 223 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1vh1 s VAL 223 CO 0.08 0.32 -0.05 0.00 0.00 0.00 0.00 175.10 175.44 1vh1 s ALA 224 N -0.90 0.79 -0.20 5.51 0.00 -0.77 -4.63 121.76 121.56 1vh1 s ALA 224 Ca 0.14 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 1vh1 s ALA 224 Cb -0.10 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1vh1 s ALA 224 CO 0.04 -0.27 1.17 0.08 0.00 0.00 0.00 175.76 176.79 1vh1 s VAL 225 N -3.57 4.43 -0.06 0.00 1.01 -1.26 -0.82 120.40 120.12 1vh1 s VAL 225 Ca 0.09 1.72 -0.40 0.00 0.00 0.00 0.00 61.98 63.39 1vh1 s VAL 225 Cb 0.05 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 1vh1 s VAL 225 CO -0.06 -0.19 1.23 0.00 0.00 0.00 0.00 175.10 176.08 1vh1 n ALA 226 N 6.58 -2.64 0.11 5.51 0.00 -0.23 -4.82 120.51 125.01 1vh1 n ALA 226 Ca 0.13 0.56 0.12 0.00 0.00 0.00 0.00 53.44 54.25 1vh1 n ALA 226 Cb 0.45 -1.87 0.62 0.00 0.00 0.00 0.00 19.45 18.65 1vh1 n ALA 226 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1vh1 h GLN 227 N 3.78 0.10 -4.21 0.00 4.15 -1.92 -3.40 115.11 113.61 1vh1 h GLN 227 Ca -0.49 -0.01 -0.32 0.00 0.77 0.00 0.00 58.65 58.60 1vh1 h GLN 227 Cb 1.40 -0.02 -0.29 0.00 0.21 0.00 0.00 27.48 28.77 1vh1 h GLN 227 CO 0.73 0.07 -0.75 -2.00 -1.93 0.00 0.00 178.83 174.95 1vh1 s GLU 228 N -5.13 0.41 -0.35 1.69 2.12 -1.26 -5.08 118.70 111.09 1vh1 s GLU 228 Ca -0.06 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.83 1vh1 s GLU 228 Cb 0.18 -0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.18 1vh1 s GLU 228 CO 0.71 0.08 1.08 0.08 -0.54 0.00 0.00 175.26 176.67 1vh1 s VAL 229 N 0.03 4.45 0.10 3.70 1.01 -1.26 -4.93 120.40 123.49 1vh1 s VAL 229 Ca 0.00 1.62 -0.31 0.00 0.00 0.00 0.00 61.98 63.29 1vh1 s VAL 229 Cb -0.03 -4.45 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 1vh1 s VAL 229 CO -0.00 -0.59 1.63 -2.84 0.00 0.00 0.00 175.10 173.30 1vh1 s PRO 230 N 3.81 4.20 0.80 2.72 0.02 -1.26 -5.00 135.00 140.29 1vh1 s PRO 230 Ca 0.46 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.69 1vh1 s PRO 230 Cb -0.11 -3.46 0.05 0.00 0.02 0.00 0.00 34.50 31.00 1vh1 s PRO 230 CO 0.19 -0.70 1.03 0.41 -0.33 0.00 0.00 177.00 177.59 1vh1 n GLY 231 N 3.93 -0.41 3.79 0.52 0.00 -1.26 -4.92 105.19 106.85 1vh1 n GLY 231 Ca 0.15 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1vh1 n GLY 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vh1 s THR 232 N -2.07 3.63 1.21 2.61 2.01 -1.26 -4.89 115.64 116.87 1vh1 s THR 232 Ca 0.71 0.56 -0.18 0.00 0.31 0.00 0.00 61.69 63.09 1vh1 s THR 232 Cb -0.30 -3.15 0.28 0.00 0.01 0.00 0.00 72.50 69.34 1vh1 s THR 232 CO 0.53 -0.66 1.06 -0.83 -0.69 0.00 0.00 174.62 174.03 1vh1 s GLY 233 N -3.45 1.54 -0.35 4.40 0.00 -1.26 -4.91 107.32 103.29 1vh1 s GLY 233 Ca 0.60 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 1vh1 s GLY 233 CO 0.53 0.12 0.09 0.14 0.00 0.00 0.00 173.10 173.98 1vh1 s VAL 234 N -2.79 3.01 0.00 1.40 1.01 0.36 -4.91 120.40 118.48 1vh1 s VAL 234 Ca 0.69 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1vh1 s VAL 234 Cb -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1vh1 s VAL 234 CO 0.58 -0.40 0.15 -0.90 0.00 0.00 0.00 175.10 174.53 1vh1 n ASP 235 N 4.56 0.30 -4.04 3.32 3.85 -1.26 -4.90 116.55 118.39 1vh1 n ASP 235 Ca -0.07 -0.72 -0.13 0.00 -0.71 0.00 0.00 54.79 53.16 1vh1 n ASP 235 Cb 0.42 0.18 -0.12 0.00 -1.35 0.00 0.00 41.12 40.25 1vh1 n ASP 235 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1vh1 s THR 236 N -0.18 0.49 0.37 2.12 -4.23 -1.26 -4.76 115.64 108.19 1vh1 s THR 236 Ca 0.00 -0.90 0.20 0.00 -1.18 0.00 0.00 61.69 59.81 1vh1 s THR 236 Cb 0.00 -0.54 0.38 0.00 1.34 0.00 0.00 72.50 73.68 1vh1 s THR 236 CO 0.00 -0.29 1.65 -0.65 -0.54 0.00 0.00 174.62 174.80 1vh1 h PRO 237 N 4.81 0.23 0.00 3.99 0.11 -1.99 1.55 132.00 140.70 1vh1 h PRO 237 Ca -0.34 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 1vh1 h PRO 237 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1vh1 h PRO 237 CO 0.43 0.15 -0.33 0.93 -0.21 0.00 0.00 178.00 178.97 1vh1 h GLU 238 N 0.23 0.00 -0.11 1.05 3.07 -2.00 -2.49 114.58 114.33 1vh1 h GLU 238 Ca 0.76 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.42 1vh1 h GLU 238 Cb 1.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.86 1vh1 h GLU 238 CO -0.55 0.33 -0.74 -0.44 -1.40 0.00 0.00 179.01 176.21 1vh1 h ASP 239 N 0.00 0.67 0.14 1.42 3.32 0.18 -2.46 116.42 119.70 1vh1 h ASP 239 Ca -0.00 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.62 1vh1 h ASP 239 Cb 0.72 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1vh1 h ASP 239 CO 0.04 1.20 -0.15 0.25 -1.72 0.00 0.00 179.24 178.86 1vh1 h LEU 240 N 0.39 -0.41 -0.39 1.55 6.46 -0.98 0.38 115.31 122.31 1vh1 h LEU 240 Ca -0.04 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1vh1 h LEU 240 Cb 1.33 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.38 1vh1 h LEU 240 CO 0.14 -0.23 0.21 -0.33 -0.62 0.00 0.00 178.44 177.60 1vh1 h GLU 241 N -0.33 0.41 -0.42 1.25 4.39 -1.50 1.20 114.58 119.58 1vh1 h GLU 241 Ca 0.01 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.77 1vh1 h GLU 241 Cb 0.32 -0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.78 1vh1 h GLU 241 CO -0.05 0.27 -0.23 -0.09 -1.16 0.00 0.00 179.01 177.75 1vh1 h ARG 242 N 0.42 -0.15 0.61 2.33 2.43 -0.92 0.51 114.38 119.60 1vh1 h ARG 242 Ca 0.16 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1vh1 h ARG 242 Cb 0.05 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1vh1 h ARG 242 CO -0.10 -0.10 -0.29 0.28 -1.51 0.00 0.00 179.97 178.25 1vh1 h VAL 243 N -0.15 0.38 -0.39 0.20 2.07 0.14 0.13 116.25 118.63 1vh1 h VAL 243 Ca 0.20 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1vh1 h VAL 243 Cb 0.47 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1vh1 h VAL 243 CO -0.51 0.02 0.02 0.03 0.02 0.00 0.00 177.57 177.14 1vh1 h ARG 244 N -0.89 0.13 -0.77 1.57 3.08 0.19 -1.10 114.38 116.59 1vh1 h ARG 244 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1vh1 h ARG 244 Cb 0.65 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1vh1 h ARG 244 CO 0.14 0.09 0.45 0.00 -1.07 0.00 0.00 179.97 179.57 1vh1 h ALA 245 N 1.32 0.98 0.00 0.04 0.00 0.04 -3.47 119.26 118.17 1vh1 h ALA 245 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vh1 h ALA 245 Cb 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vh1 h ALA 245 CO -0.30 0.47 0.00 0.39 0.00 0.00 0.00 179.25 179.81