#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhs s LEU 1 N 0.00 1.58 -0.12 -3.43 1.43 -1.26 -3.36 118.68 113.52 1vhs s LEU 1 Ca 0.00 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1vhs s LEU 1 Cb 0.00 -0.27 0.01 0.00 0.03 0.00 0.00 46.19 45.96 1vhs s LEU 1 CO 0.00 -0.02 -0.17 0.42 0.23 0.00 0.00 176.35 176.81 1vhs s THR 2 N 0.49 1.63 0.11 5.49 -4.23 -0.72 -4.92 115.64 113.49 1vhs s THR 2 Ca -0.05 -0.72 -0.13 0.00 -1.18 0.00 0.00 61.69 59.61 1vhs s THR 2 Cb -0.09 -1.48 -0.06 0.00 1.34 0.00 0.00 72.50 72.21 1vhs s THR 2 CO -0.01 0.47 0.48 -0.76 -0.54 0.00 0.00 174.62 174.27 1vhs s LEU 3 N 0.98 4.35 0.11 4.79 1.43 -1.26 -1.20 118.68 127.88 1vhs s LEU 3 Ca -0.06 0.96 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 1vhs s LEU 3 Cb -0.15 -3.12 0.04 0.00 0.03 0.00 0.00 46.19 43.00 1vhs s LEU 3 CO -0.02 0.14 0.45 0.00 0.23 0.00 0.00 176.35 177.15 1vhs s ARG 4 N -1.88 1.08 0.33 1.70 1.70 -0.68 -5.00 118.95 116.21 1vhs s ARG 4 Ca 0.35 -0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 54.74 1vhs s ARG 4 Cb -0.15 0.48 -0.11 0.00 -0.57 0.00 0.00 34.95 34.61 1vhs s ARG 4 CO 0.18 -0.43 1.46 -0.51 -1.08 0.00 0.00 175.30 174.93 1vhs s LEU 5 N -2.62 4.36 0.69 -1.89 1.43 -1.26 -0.83 118.68 118.55 1vhs s LEU 5 Ca 0.01 2.90 -0.15 0.00 -1.03 0.00 0.00 54.13 55.86 1vhs s LEU 5 Cb 0.01 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.59 1vhs s LEU 5 CO -0.10 -0.78 1.15 0.00 0.23 0.00 0.00 176.35 176.85 1vhs s ALA 6 N -0.76 2.32 0.21 4.21 0.00 0.17 -4.71 121.76 123.19 1vhs s ALA 6 Ca 0.55 0.71 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1vhs s ALA 6 Cb -0.45 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1vhs s ALA 6 CO 0.55 -1.53 -0.06 -1.21 0.00 0.00 0.00 175.76 173.51 1vhs s GLU 7 N -3.98 1.27 0.25 0.00 2.02 -1.26 -4.99 118.70 112.02 1vhs s GLU 7 Ca 0.70 -1.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.07 1vhs s GLU 7 Cb -0.24 -0.75 0.50 0.00 0.10 0.00 0.00 34.13 33.74 1vhs s GLU 7 CO 0.43 0.01 1.76 1.25 0.02 0.00 0.00 175.26 178.72 1vhs h HIS 8 N 2.56 0.69 0.00 1.61 -0.00 -2.01 0.12 115.15 118.12 1vhs h HIS 8 Ca -0.38 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 1vhs h HIS 8 Cb 1.21 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1vhs h HIS 8 CO 0.63 0.16 0.00 2.89 -0.00 0.00 0.00 177.93 181.61 1vhs n ARG 9 N -4.90 0.08 0.08 5.26 1.85 -1.26 -1.63 116.66 116.14 1vhs n ARG 9 Ca 0.16 0.25 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 1vhs n ARG 9 Cb 0.41 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.43 1vhs n ARG 9 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1vhs h ASP 10 N 0.00 0.00 -0.75 2.89 3.45 -1.17 -3.38 116.42 117.46 1vhs h ASP 10 Ca 0.00 -0.15 0.17 0.00 0.43 0.00 0.00 57.03 57.48 1vhs h ASP 10 Cb 0.10 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.75 1vhs h ASP 10 CO 0.00 0.07 0.18 0.25 -1.57 0.00 0.00 179.24 178.18 1vhs h LEU 11 N 0.00 0.02 -0.32 1.55 5.85 -1.37 0.19 115.31 121.23 1vhs h LEU 11 Ca 0.00 0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1vhs h LEU 11 Cb 0.83 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1vhs h LEU 11 CO 0.00 -0.04 0.01 -0.08 -0.34 0.00 0.00 178.44 177.98 1vhs h GLU 12 N 0.27 0.10 -0.26 1.25 4.22 -1.80 -0.38 114.58 117.98 1vhs h GLU 12 Ca 0.43 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.73 1vhs h GLU 12 Cb 0.74 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1vhs h GLU 12 CO -0.52 0.07 -0.37 0.00 -2.18 0.00 0.00 179.01 176.01 1vhs h ALA 13 N 1.27 0.88 -0.39 2.92 0.00 -1.54 -1.35 119.26 121.04 1vhs h ALA 13 Ca 0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1vhs h ALA 13 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1vhs h ALA 13 CO -0.25 0.63 0.13 0.28 0.00 0.00 0.00 179.25 180.04 1vhs h VAL 14 N 0.49 1.21 -0.42 0.00 2.07 -0.54 -0.76 116.25 118.30 1vhs h VAL 14 Ca 0.05 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.74 1vhs h VAL 14 Cb 0.86 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1vhs h VAL 14 CO 0.07 0.24 -0.27 0.58 0.02 0.00 0.00 177.57 178.22 1vhs h VAL 15 N 0.49 1.27 -0.55 2.57 2.07 -1.01 -1.77 116.25 119.32 1vhs h VAL 15 Ca 0.13 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1vhs h VAL 15 Cb 0.25 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1vhs h VAL 15 CO -0.00 0.48 0.37 0.00 0.02 0.00 0.00 177.57 178.43 1vhs h ALA 16 N 0.92 0.70 -0.53 1.67 0.00 -1.01 0.17 119.26 121.18 1vhs h ALA 16 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vhs h ALA 16 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1vhs h ALA 16 CO 0.07 0.14 0.22 0.82 0.00 0.00 0.00 179.25 180.50 1vhs h ILE 17 N 0.75 1.21 -0.20 0.00 2.04 -1.02 -0.90 117.51 119.40 1vhs h ILE 17 Ca 0.20 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.45 1vhs h ILE 17 Cb -0.08 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1vhs h ILE 17 CO -0.05 0.25 -0.02 0.22 0.00 0.00 0.00 178.15 178.56 1vhs h TYR 18 N 0.72 -0.05 0.00 1.37 3.20 -0.70 -2.39 116.97 119.12 1vhs h TYR 18 Ca 0.18 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1vhs h TYR 18 Cb 0.18 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1vhs h TYR 18 CO 0.00 -0.05 -0.22 -0.91 -1.64 0.00 0.00 178.16 175.34 1vhs h ASN 19 N 0.04 0.00 0.67 -2.11 2.35 -0.33 -2.37 115.58 113.83 1vhs h ASN 19 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1vhs h ASN 19 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1vhs h ASN 19 CO -0.18 0.22 0.00 0.77 -1.65 0.00 0.00 177.43 176.59 1vhs h SER 20 N 0.00 0.00 0.53 5.81 4.64 -0.63 -2.58 113.55 121.32 1vhs h SER 20 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vhs h SER 20 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1vhs h SER 20 CO 0.03 0.00 -0.91 0.35 -0.87 0.00 0.00 176.83 175.43 1vhs n THR 21 N -3.02 0.20 -0.24 2.95 -2.24 -0.90 -4.41 114.28 106.62 1vhs n THR 21 Ca -0.01 -0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 1vhs n THR 21 Cb 0.22 0.14 0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1vhs n THR 21 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1vhs h ILE 22 N 0.00 1.10 -0.45 2.28 2.04 -1.46 -3.10 117.51 117.92 1vhs h ILE 22 Ca 0.00 -0.29 0.08 0.00 1.00 0.00 0.00 64.86 65.66 1vhs h ILE 22 Cb 0.72 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1vhs h ILE 22 CO 0.00 0.15 0.02 0.00 0.00 0.00 0.00 178.15 178.32 1vhs h ALA 23 N 1.28 0.44 0.00 1.87 0.00 -1.77 -0.96 119.26 120.11 1vhs h ALA 23 Ca 0.27 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1vhs h ALA 23 Cb -0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1vhs h ALA 23 CO -0.10 -0.38 0.00 0.66 0.00 0.00 0.00 179.25 179.44 1vhs h SER 24 N 0.13 0.00 -6.26 0.00 4.64 -1.82 -3.53 113.55 106.71 1vhs h SER 24 Ca 0.22 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.41 1vhs h SER 24 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1vhs h SER 24 CO -0.36 0.00 -1.05 0.54 -0.87 0.00 0.00 176.83 175.10 1vhs n ARG 25 N -2.31 -1.26 -0.14 4.77 1.74 -0.37 -5.09 116.66 114.00 1vhs n ARG 25 Ca 0.01 1.26 0.14 0.00 -0.77 0.00 0.00 57.85 58.49 1vhs n ARG 25 Cb 0.18 -2.02 0.22 0.00 -1.02 0.00 0.00 32.46 29.81 1vhs n ARG 25 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1vhs n VAL 27 N 0.63 0.00 -4.13 1.55 3.14 -1.26 -5.07 118.33 113.19 1vhs n VAL 27 Ca -0.02 0.55 -0.24 0.00 -2.96 0.00 0.00 64.34 61.67 1vhs n VAL 27 Cb 0.52 -0.97 -0.06 0.00 -1.06 0.00 0.00 33.84 32.27 1vhs n VAL 27 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1vhs s THR 28 N -3.21 4.27 -1.41 1.55 -1.32 -1.26 -4.89 115.64 109.36 1vhs s THR 28 Ca -0.01 -1.33 0.13 0.00 -1.21 0.00 0.00 61.69 59.27 1vhs s THR 28 Cb 0.07 -3.23 0.49 0.00 -1.51 0.00 0.00 72.50 68.32 1vhs s THR 28 CO 0.24 -0.23 1.36 0.00 -2.21 0.00 0.00 174.62 173.79 1vhs n ALA 29 N -0.68 2.82 -2.58 11.08 0.00 -1.26 -4.88 120.51 125.00 1vhs n ALA 29 Ca -0.08 -1.05 -0.33 0.00 0.00 0.00 0.00 53.44 51.98 1vhs n ALA 29 Cb 0.56 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 1vhs n ALA 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vhs s ASP 30 N -0.82 4.62 -0.01 0.00 1.01 -1.26 -4.99 116.67 115.21 1vhs s ASP 30 Ca 0.35 -0.06 0.17 0.00 0.71 0.00 0.00 52.55 53.72 1vhs s ASP 30 Cb 0.22 -1.13 -0.23 0.00 1.01 0.00 0.00 42.92 42.78 1vhs s ASP 30 CO 0.18 0.34 0.50 0.35 0.21 0.00 0.00 175.17 176.75 1vhs n THR 31 N 2.05 0.00 -4.83 -1.27 -2.24 -1.26 -4.81 114.28 101.92 1vhs n THR 31 Ca -0.17 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.05 1vhs n THR 31 Cb 0.53 0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 69.06 1vhs n THR 31 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1vhs s GLU 32 N -2.95 1.60 0.53 -0.78 0.41 -1.26 -4.90 118.70 111.35 1vhs s GLU 32 Ca -0.01 -0.95 -0.22 0.00 -0.41 0.00 0.00 54.97 53.37 1vhs s GLU 32 Cb 0.12 -1.69 -0.06 0.00 -1.78 0.00 0.00 34.13 30.72 1vhs s GLU 32 CO 0.70 0.44 1.37 -1.25 -0.49 0.00 0.00 175.26 176.03 1vhs s PRO 33 N -1.04 3.26 0.37 0.39 0.04 -1.26 -5.02 135.00 131.73 1vhs s PRO 33 Ca 0.09 2.28 0.07 0.00 0.04 0.00 0.00 61.00 63.48 1vhs s PRO 33 Cb -0.09 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1vhs s PRO 33 CO 0.01 -1.11 0.39 0.14 0.04 0.00 0.00 177.00 176.47 1vhs s VAL 34 N -1.28 3.31 0.16 -0.36 -7.23 -1.26 -5.13 120.40 108.61 1vhs s VAL 34 Ca 0.69 -1.24 0.06 0.00 -1.81 0.00 0.00 61.98 59.68 1vhs s VAL 34 Cb -0.41 -3.15 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 1vhs s VAL 34 CO 0.50 -0.10 0.03 0.42 -0.31 0.00 0.00 175.10 175.64 1vhs s THR 35 N -2.33 3.95 0.39 5.32 -4.23 -1.26 -4.98 115.64 112.49 1vhs s THR 35 Ca 0.46 -1.29 0.16 0.00 -1.18 0.00 0.00 61.69 59.84 1vhs s THR 35 Cb -0.06 -2.98 0.37 0.00 1.34 0.00 0.00 72.50 71.16 1vhs s THR 35 CO 0.29 -0.08 1.80 -0.65 -0.54 0.00 0.00 174.62 175.44 1vhs h PRO 36 N 2.71 0.45 -0.35 3.99 0.11 -1.96 0.20 132.00 137.15 1vhs h PRO 36 Ca -0.47 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1vhs h PRO 36 Cb 1.20 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1vhs h PRO 36 CO 0.60 0.30 -0.11 0.93 -0.21 0.00 0.00 178.00 179.51 1vhs h GLU 37 N 0.47 0.61 0.00 1.05 3.07 -2.00 -2.16 114.58 115.62 1vhs h GLU 37 Ca 0.55 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1vhs h GLU 37 Cb 1.28 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1vhs h GLU 37 CO -0.27 0.71 0.00 -0.25 -1.40 0.00 0.00 179.01 177.80 1vhs n ASP 38 N -4.19 0.42 -3.84 1.42 8.00 0.67 -4.60 116.55 114.44 1vhs n ASP 38 Ca 0.01 0.60 -0.28 0.00 0.71 0.00 0.00 54.79 55.83 1vhs n ASP 38 Cb 0.33 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 1vhs n ASP 38 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1vhs n ARG 39 N -1.96 1.97 0.00 -1.24 5.12 -0.82 -4.84 116.66 114.90 1vhs n ARG 39 Ca 0.03 -4.53 0.00 0.00 -1.93 0.00 0.00 57.85 51.42 1vhs n ARG 39 Cb 0.22 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.23 1vhs n ARG 39 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1vhs n GLU 41 N 1.79 0.00 -0.19 5.56 -0.58 -1.26 -0.98 120.64 124.98 1vhs n GLU 41 Ca 0.21 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.94 1vhs n GLU 41 Cb 0.36 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.32 1vhs n GLU 41 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1vhs h TRP 42 N 0.00 0.37 0.46 -0.32 7.01 -1.97 0.72 115.95 122.23 1vhs h TRP 42 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 1vhs h TRP 42 Cb 0.00 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1vhs h TRP 42 CO 0.00 0.11 -0.34 0.35 -2.79 0.00 0.00 178.44 175.77 1vhs h PHE 43 N 0.40 -0.91 0.00 2.65 3.57 -1.47 -2.03 116.94 119.15 1vhs h PHE 43 Ca 0.28 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1vhs h PHE 43 Cb 0.32 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1vhs h PHE 43 CO -0.16 -0.50 0.00 0.43 -2.23 0.00 0.00 178.31 175.85 1vhs n SER 44 N -5.46 0.25 0.05 0.41 7.64 -1.07 -2.74 113.62 112.69 1vhs n SER 44 Ca -0.11 0.56 0.10 0.00 1.01 0.00 0.00 58.87 60.43 1vhs n SER 44 Cb 0.36 -0.62 0.42 0.00 -1.01 0.00 0.00 64.21 63.36 1vhs n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vhs n GLY 45 N -0.10 -1.22 3.81 0.23 0.00 0.23 -4.80 105.19 103.34 1vhs n GLY 45 Ca 0.03 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1vhs n GLY 45 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vhs s HIS 46 N -3.11 3.04 0.36 1.61 3.76 -1.11 -5.06 115.29 114.78 1vhs s HIS 46 Ca 0.07 1.52 0.03 0.00 -0.15 0.00 0.00 55.06 56.53 1vhs s HIS 46 Cb 0.11 -3.00 -0.01 0.00 1.11 0.00 0.00 32.58 30.79 1vhs s HIS 46 CO 0.37 -0.96 0.10 0.25 -0.85 0.00 0.00 174.74 173.65 1vhs n THR 47 N -1.70 0.00 0.17 1.30 -2.24 -0.36 -4.96 114.28 106.49 1vhs n THR 47 Ca 0.09 -2.02 0.03 0.00 -2.27 0.00 0.00 64.05 59.88 1vhs n THR 47 Cb 0.53 0.66 0.42 0.00 -2.10 0.00 0.00 70.33 69.84 1vhs n THR 47 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1vhs h GLU 48 N 0.00 0.10 0.00 -0.78 4.81 -2.00 -2.45 114.58 114.26 1vhs h GLU 48 Ca -0.29 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1vhs h GLU 48 Cb 1.04 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1vhs h GLU 48 CO 0.46 0.31 -1.35 -1.13 -0.73 0.00 0.00 179.01 176.57 1vhs n SER 49 N -4.25 0.57 -3.47 1.04 3.41 -1.26 -4.52 113.62 105.13 1vhs n SER 49 Ca -0.02 0.22 -0.26 0.00 -0.26 0.00 0.00 58.87 58.55 1vhs n SER 49 Cb 0.29 0.96 -0.09 0.00 -0.26 0.00 0.00 64.21 65.11 1vhs n SER 49 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vhs n ARG 50 N -2.54 1.18 -2.49 4.33 5.12 -1.07 -4.83 116.66 116.36 1vhs n ARG 50 Ca -0.02 -3.80 -0.23 0.00 -1.93 0.00 0.00 57.85 51.87 1vhs n ARG 50 Cb 0.57 -1.82 0.07 0.00 -1.16 0.00 0.00 32.46 30.12 1vhs n ARG 50 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1vhs s PRO 51 N -1.13 2.16 -0.18 5.56 0.04 -0.95 -1.22 135.00 139.29 1vhs s PRO 51 Ca 0.33 -0.72 -0.01 0.00 0.04 0.00 0.00 61.00 60.64 1vhs s PRO 51 Cb 0.08 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1vhs s PRO 51 CO -0.13 -1.10 -0.14 -1.17 0.04 0.00 0.00 177.00 174.50 1vhs s LEU 52 N -5.03 2.49 0.04 -3.56 2.96 -1.26 -1.29 118.68 113.04 1vhs s LEU 52 Ca 0.61 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1vhs s LEU 52 Cb -0.09 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1vhs s LEU 52 CO 0.42 0.04 -0.10 -0.31 -1.32 0.00 0.00 176.35 175.08 1vhs s TYR 53 N 1.08 2.77 0.15 5.38 1.51 0.49 -0.65 117.35 128.07 1vhs s TYR 53 Ca -0.00 -0.12 0.10 0.00 -1.01 0.00 0.00 57.07 56.03 1vhs s TYR 53 Cb -0.14 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1vhs s TYR 53 CO -0.04 0.35 -0.18 0.14 -1.11 0.00 0.00 175.55 174.71 1vhs s VAL 54 N -1.03 2.74 -0.16 0.71 -7.23 -0.01 -0.78 120.40 114.63 1vhs s VAL 54 Ca 0.18 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1vhs s VAL 54 Cb -0.11 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1vhs s VAL 54 CO 0.09 -0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.74 1vhs s ALA 55 N -1.39 2.57 -0.09 1.32 0.00 0.10 -1.69 121.76 122.58 1vhs s ALA 55 Ca 0.20 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1vhs s ALA 55 Cb -0.09 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1vhs s ALA 55 CO 0.11 -0.02 0.12 -1.21 0.00 0.00 0.00 175.76 174.76 1vhs s GLU 56 N 0.80 3.36 0.95 0.00 2.02 -0.34 -0.34 118.70 125.14 1vhs s GLU 56 Ca -0.05 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.58 1vhs s GLU 56 Cb -0.15 -3.11 0.18 0.00 0.10 0.00 0.00 34.13 31.15 1vhs s GLU 56 CO 0.01 0.75 1.29 0.16 0.02 0.00 0.00 175.26 177.48 1vhs s ASP 57 N -1.17 3.27 0.18 -0.19 1.47 -0.04 -1.76 116.67 118.43 1vhs s ASP 57 Ca 0.17 0.38 0.11 0.00 1.18 0.00 0.00 52.55 54.39 1vhs s ASP 57 Cb -0.12 -0.52 0.60 0.00 -0.34 0.00 0.00 42.92 42.55 1vhs s ASP 57 CO 0.06 -2.65 1.31 -1.84 0.68 0.00 0.00 175.17 172.74 1vhs n GLU 58 N -3.73 0.07 -0.12 2.11 0.00 -1.21 -0.80 120.64 116.95 1vhs n GLU 58 Ca 0.14 0.55 0.12 0.00 0.00 0.00 0.00 57.16 57.97 1vhs n GLU 58 Cb 0.60 -1.79 0.19 0.00 0.00 0.00 0.00 31.44 30.43 1vhs n GLU 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1vhs n ASN 59 N -1.88 3.23 0.00 -1.84 3.02 -1.26 -4.95 115.26 111.57 1vhs n ASN 59 Ca -0.01 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1vhs n ASN 59 Cb 0.07 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1vhs n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vhs n GLY 60 N 1.44 0.77 3.79 7.41 0.00 0.02 -5.03 105.19 113.58 1vhs n GLY 60 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1vhs n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vhs s ASN 61 N -2.57 7.01 -0.19 1.61 0.01 -1.26 -4.78 114.94 114.78 1vhs s ASN 61 Ca 0.00 1.20 -0.29 0.00 -0.71 0.00 0.00 52.86 53.06 1vhs s ASN 61 Cb 0.00 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 1vhs s ASN 61 CO 0.00 0.20 1.63 -0.69 -1.51 0.00 0.00 177.10 176.73 1vhs s VAL 62 N -0.69 3.67 -0.53 1.60 1.01 -1.26 -0.86 120.40 123.34 1vhs s VAL 62 Ca 0.29 0.76 0.15 0.00 0.00 0.00 0.00 61.98 63.19 1vhs s VAL 62 Cb -0.19 -3.64 -0.19 0.00 0.00 0.00 0.00 36.38 32.36 1vhs s VAL 62 CO 0.18 -0.23 0.57 0.00 0.00 0.00 0.00 175.10 175.61 1vhs n ALA 63 N 8.23 3.61 -3.69 5.51 0.00 0.53 -4.94 120.51 129.76 1vhs n ALA 63 Ca 0.19 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.19 1vhs n ALA 63 Cb 0.45 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 1vhs n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhs s ALA 64 N -2.62 -1.86 0.07 0.00 0.00 -1.19 -0.97 121.76 115.19 1vhs s ALA 64 Ca 0.03 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 1vhs s ALA 64 Cb 0.11 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1vhs s ALA 64 CO 0.64 -1.01 0.29 1.67 0.00 0.00 0.00 175.76 177.35 1vhs s TRP 65 N -2.98 -0.06 -0.10 0.00 1.48 -0.48 -0.72 118.94 116.08 1vhs s TRP 65 Ca 0.12 -0.19 0.01 0.00 -1.06 0.00 0.00 56.10 54.99 1vhs s TRP 65 Cb 0.01 0.09 0.02 0.00 -1.16 0.00 0.00 33.47 32.42 1vhs s TRP 65 CO -0.01 -0.55 -0.12 0.42 -4.06 0.00 0.00 176.95 172.64 1vhs s ILE 66 N -3.11 1.21 -0.09 0.66 1.01 0.03 -1.98 121.20 118.93 1vhs s ILE 66 Ca -0.01 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.21 1vhs s ILE 66 Cb 0.01 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1vhs s ILE 66 CO -0.07 0.39 -0.22 -0.55 0.00 0.00 0.00 174.94 174.49 1vhs s SER 67 N 1.14 3.30 -0.17 3.58 0.15 0.24 -0.38 113.70 121.56 1vhs s SER 67 Ca -0.05 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 1vhs s SER 67 Cb -0.14 -1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.85 1vhs s SER 67 CO -0.02 0.19 0.02 -0.36 1.20 0.00 0.00 173.24 174.27 1vhs s PHE 68 N 0.17 3.16 0.09 3.44 0.40 -0.41 -0.87 117.98 123.95 1vhs s PHE 68 Ca -0.12 -0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1vhs s PHE 68 Cb -0.16 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 1vhs s PHE 68 CO 0.07 0.08 -0.11 -1.21 0.70 0.00 0.00 175.22 174.74 1vhs s GLU 69 N 0.36 0.82 0.58 0.44 2.02 -0.11 -4.29 118.70 118.52 1vhs s GLU 69 Ca 0.00 -1.07 -0.18 0.00 0.02 0.00 0.00 54.97 53.74 1vhs s GLU 69 Cb -0.13 -0.62 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 1vhs s GLU 69 CO 0.01 0.11 1.14 0.95 0.02 0.00 0.00 175.26 177.50 1vhs s THR 70 N -1.99 3.05 -0.16 3.63 -4.23 -1.26 -0.35 115.64 114.33 1vhs s THR 70 Ca 0.02 0.61 -0.21 0.00 -1.18 0.00 0.00 61.69 60.94 1vhs s THR 70 Cb -0.06 -3.21 -0.18 0.00 1.34 0.00 0.00 72.50 70.40 1vhs s THR 70 CO 0.01 -0.18 0.35 0.15 -0.54 0.00 0.00 174.62 174.41 1vhs h PHE 71 N 0.85 0.00 -3.02 3.99 3.57 -1.85 -3.43 116.94 117.04 1vhs h PHE 71 Ca -0.49 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 60.82 1vhs h PHE 71 Cb 1.27 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.71 1vhs h PHE 71 CO 0.51 0.98 -0.47 -0.47 -2.23 0.00 0.00 178.31 176.63 1vhs s TYR 72 N -2.21 -0.33 -0.57 0.41 5.04 -1.26 -5.05 117.35 113.37 1vhs s TYR 72 Ca -0.21 0.79 -0.07 0.00 -2.44 0.00 0.00 57.07 55.14 1vhs s TYR 72 Cb 0.02 0.06 -0.07 0.00 0.35 0.00 0.00 41.96 42.32 1vhs s TYR 72 CO 0.52 -0.23 1.72 0.41 -1.34 0.00 0.00 175.55 176.64 1vhs n GLY 73 N 4.10 2.47 2.98 8.97 0.00 -1.26 -4.66 105.19 117.79 1vhs n GLY 73 Ca -0.24 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1vhs n GLY 73 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vhs s ARG 74 N 4.26 0.13 0.36 1.61 3.52 -1.26 -5.05 118.95 122.53 1vhs s ARG 74 Ca 0.31 0.28 0.13 0.00 -0.13 0.00 0.00 55.73 56.32 1vhs s ARG 74 Cb 0.08 -0.03 0.97 0.00 -1.56 0.00 0.00 34.95 34.40 1vhs s ARG 74 CO 0.01 -0.08 1.78 -1.35 -0.81 0.00 0.00 175.30 174.85 1vhs h PRO 75 N 6.51 0.51 -0.44 5.12 0.11 -2.01 -0.03 132.00 141.77 1vhs h PRO 75 Ca -0.33 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.88 1vhs h PRO 75 Cb 1.17 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1vhs h PRO 75 CO 0.42 0.34 0.35 0.00 -0.21 0.00 0.00 178.00 178.91 1vhs h ALA 76 N 1.65 2.31 -0.57 -0.75 0.00 -1.96 -0.32 119.26 119.61 1vhs h ALA 76 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1vhs h ALA 76 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1vhs h ALA 76 CO -0.34 -0.58 0.00 0.66 0.00 0.00 0.00 179.25 178.99 1vhs n TYR 77 N -4.17 1.15 -0.07 0.00 4.02 -0.03 -4.68 117.16 113.38 1vhs n TYR 77 Ca 0.08 -0.60 0.25 0.00 -0.01 0.00 0.00 57.90 57.62 1vhs n TYR 77 Cb 0.55 -0.16 0.72 0.00 -0.02 0.00 0.00 39.34 40.43 1vhs n TYR 77 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1vhs h ASN 78 N 3.53 0.00 -0.67 7.72 2.35 -1.03 -0.50 115.58 126.97 1vhs h ASN 78 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vhs h ASN 78 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1vhs h ASN 78 CO 0.14 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.21 1vhs n LYS 79 N -4.05 2.71 -4.87 0.81 5.02 -1.26 -4.87 118.16 111.65 1vhs n LYS 79 Ca 0.14 -2.47 -0.33 0.00 -2.02 0.00 0.00 58.31 53.63 1vhs n LYS 79 Cb 0.83 -1.57 -0.16 0.00 -0.02 0.00 0.00 35.03 34.11 1vhs n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1vhs s THR 80 N -1.20 2.50 0.13 -0.18 2.01 -0.20 0.14 115.64 118.85 1vhs s THR 80 Ca 0.46 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1vhs s THR 80 Cb 0.25 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1vhs s THR 80 CO 0.30 0.54 0.06 0.00 -0.69 0.00 0.00 174.62 174.82 1vhs s ALA 81 N 0.50 0.85 0.01 7.40 0.00 -0.35 -3.55 121.76 126.62 1vhs s ALA 81 Ca -0.12 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 50.40 1vhs s ALA 81 Cb -0.16 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1vhs s ALA 81 CO 0.05 -0.49 -0.01 -2.00 0.00 0.00 0.00 175.76 173.31 1vhs s GLU 82 N -4.05 2.73 -0.10 0.00 2.12 0.53 -4.20 118.70 115.74 1vhs s GLU 82 Ca 0.24 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.96 1vhs s GLU 82 Cb 0.07 -2.63 -0.00 0.00 0.26 0.00 0.00 34.13 31.83 1vhs s GLU 82 CO 0.02 0.61 -0.23 0.54 -0.54 0.00 0.00 175.26 175.66 1vhs s VAL 83 N -1.09 2.17 -0.07 3.70 0.11 -1.26 -0.94 120.40 123.02 1vhs s VAL 83 Ca 0.20 -0.98 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 1vhs s VAL 83 Cb -0.11 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1vhs s VAL 83 CO 0.10 0.56 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.69 1vhs s SER 84 N 0.30 2.53 -0.11 3.54 0.15 -0.05 -4.56 113.70 115.52 1vhs s SER 84 Ca -0.17 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.05 1vhs s SER 84 Cb -0.17 -0.99 0.02 0.00 -1.71 0.00 0.00 66.02 63.16 1vhs s SER 84 CO 0.08 0.14 -0.11 -0.63 1.20 0.00 0.00 173.24 173.92 1vhs s ILE 85 N 0.28 1.22 -0.04 6.45 1.01 -1.26 -0.59 121.20 128.27 1vhs s ILE 85 Ca -0.12 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.13 1vhs s ILE 85 Cb -0.15 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1vhs s ILE 85 CO 0.05 0.39 -0.22 -0.31 0.00 0.00 0.00 174.94 174.86 1vhs s TYR 86 N 1.29 2.07 -0.03 3.97 1.51 -0.84 -5.01 117.35 120.31 1vhs s TYR 86 Ca -0.02 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.56 1vhs s TYR 86 Cb -0.14 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1vhs s TYR 86 CO -0.04 -0.15 -0.24 0.42 -1.11 0.00 0.00 175.55 174.43 1vhs s ILE 87 N -0.19 1.89 0.00 2.71 1.01 -1.26 -1.38 121.20 123.97 1vhs s ILE 87 Ca -0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 60.65 59.29 1vhs s ILE 87 Cb -0.12 -1.57 -0.13 0.00 0.01 0.00 0.00 42.46 40.65 1vhs s ILE 87 CO 0.02 0.53 1.73 -0.67 0.00 0.00 0.00 174.94 176.56 1vhs n ASP 88 N 2.61 3.16 -0.34 3.58 4.64 -0.14 -4.78 116.55 125.28 1vhs n ASP 88 Ca -0.16 1.03 0.36 0.00 -1.38 0.00 0.00 54.79 54.64 1vhs n ASP 88 Cb 0.52 -1.37 0.76 0.00 -1.04 0.00 0.00 41.12 39.99 1vhs n ASP 88 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 1vhs h GLU 89 N 7.65 0.00 0.00 -0.67 4.57 -1.83 0.81 114.58 125.12 1vhs h GLU 89 Ca -0.47 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1vhs h GLU 89 Cb 1.27 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1vhs h GLU 89 CO 0.92 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.75 1vhs n ALA 90 N -2.78 1.82 0.36 2.92 0.00 -1.26 -2.48 120.51 119.09 1vhs n ALA 90 Ca 0.26 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.79 1vhs n ALA 90 Cb 1.29 -1.34 0.15 0.00 0.00 0.00 0.00 19.45 19.54 1vhs n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhs s ARG 92 N -1.33 4.12 -0.11 0.00 0.52 -1.04 -3.66 118.95 117.45 1vhs s ARG 92 Ca 0.28 2.57 -0.00 0.00 -0.52 0.00 0.00 55.73 58.07 1vhs s ARG 92 Cb 0.17 -3.00 -0.00 0.00 0.52 0.00 0.00 34.95 32.64 1vhs s ARG 92 CO 0.24 -0.59 0.10 0.41 0.02 0.00 0.00 175.30 175.48 1vhs n GLY 93 N 1.46 0.47 0.00 -3.53 0.00 -1.26 -4.98 105.19 97.35 1vhs n GLY 93 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1vhs n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vhs n LYS 94 N -1.42 0.00 -0.67 1.61 4.01 -1.24 -5.01 118.16 115.44 1vhs n LYS 94 Ca -0.02 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1vhs n LYS 94 Cb 0.52 -0.36 0.00 0.00 -0.51 0.00 0.00 35.03 34.68 1vhs n LYS 94 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vhs n GLY 95 N 0.00 0.64 0.24 0.72 0.00 -1.26 -4.96 105.19 100.56 1vhs n GLY 95 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1vhs n GLY 95 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vhs h VAL 96 N 0.00 1.24 -0.48 1.61 2.07 -1.95 -3.13 116.25 115.62 1vhs h VAL 96 Ca 0.00 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.73 1vhs h VAL 96 Cb 0.00 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1vhs h VAL 96 CO 0.00 0.31 0.07 1.23 0.02 0.00 0.00 177.57 179.21 1vhs h GLY 97 N 0.66 0.56 0.85 2.17 0.00 -1.95 -0.72 103.07 104.64 1vhs h GLY 97 Ca 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1vhs h GLY 97 CO 0.01 -0.08 0.20 0.23 0.00 0.00 0.00 176.54 176.90 1vhs h SER 98 N 0.20 0.31 -0.29 0.19 0.87 -1.98 -1.05 113.55 111.80 1vhs h SER 98 Ca 0.24 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1vhs h SER 98 Cb 0.33 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1vhs h SER 98 CO -0.33 0.22 0.11 0.22 -0.53 0.00 0.00 176.83 176.52 1vhs h TYR 99 N 0.41 0.45 -0.68 2.24 3.20 -1.39 -2.03 116.97 119.17 1vhs h TYR 99 Ca 0.16 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1vhs h TYR 99 Cb 0.05 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1vhs h TYR 99 CO -0.09 0.46 0.38 -0.07 -1.64 0.00 0.00 178.16 177.20 1vhs h LEU 100 N 0.32 0.85 -0.51 2.82 3.38 -0.92 -1.41 115.31 119.84 1vhs h LEU 100 Ca 0.10 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1vhs h LEU 100 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1vhs h LEU 100 CO -0.01 0.70 0.05 0.25 0.09 0.00 0.00 178.44 179.52 1vhs h LEU 101 N 0.94 0.84 -0.59 1.67 5.85 -1.13 0.27 115.31 123.16 1vhs h LEU 101 Ca 0.24 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1vhs h LEU 101 Cb 0.03 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1vhs h LEU 101 CO -0.04 0.91 0.35 -0.61 -0.34 0.00 0.00 178.44 178.72 1vhs h GLN 102 N 0.74 0.67 -0.57 1.25 4.15 -1.07 -0.13 115.11 120.15 1vhs h GLN 102 Ca 0.15 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 1vhs h GLN 102 Cb 0.45 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1vhs h GLN 102 CO 0.02 0.44 0.02 0.93 -1.93 0.00 0.00 178.83 178.31 1vhs h GLU 103 N 0.69 1.00 -0.73 1.69 4.39 -1.00 -1.46 114.58 119.15 1vhs h GLU 103 Ca 0.24 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1vhs h GLU 103 Cb 0.04 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1vhs h GLU 103 CO -0.11 0.98 0.46 0.00 -1.16 0.00 0.00 179.01 179.18 1vhs h ALA 104 N 0.98 0.96 0.00 3.43 0.00 -0.34 -1.05 119.26 123.24 1vhs h ALA 104 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1vhs h ALA 104 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1vhs h ALA 104 CO 0.03 0.25 -0.41 -0.07 0.00 0.00 0.00 179.25 179.04 1vhs h LEU 105 N 0.90 0.00 -0.21 0.00 3.38 -0.73 0.63 115.31 119.29 1vhs h LEU 105 Ca 0.29 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.08 1vhs h LEU 105 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1vhs h LEU 105 CO -0.11 0.41 -0.59 -0.09 0.09 0.00 0.00 178.44 178.15 1vhs h ARG 106 N 0.00 0.76 -0.12 1.13 2.43 -0.66 -3.33 114.38 114.59 1vhs h ARG 106 Ca -0.00 -0.55 -0.09 0.00 -0.81 0.00 0.00 59.98 58.53 1vhs h ARG 106 Cb 0.78 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1vhs h ARG 106 CO 0.05 1.17 -0.28 0.82 -1.51 0.00 0.00 179.97 180.23 1vhs h ILE 107 N 0.49 1.38 -0.92 1.20 2.04 -0.93 -3.38 117.51 117.40 1vhs h ILE 107 Ca -0.01 -1.57 0.17 0.00 1.00 0.00 0.00 64.86 64.45 1vhs h ILE 107 Cb 1.21 2.09 -0.17 0.00 -0.74 0.00 0.00 36.82 39.21 1vhs h ILE 107 CO 0.13 0.46 -0.29 0.00 0.00 0.00 0.00 178.15 178.45 1vhs h ALA 108 N 0.52 0.43 -0.77 1.87 0.00 -0.99 -0.55 119.26 119.77 1vhs h ALA 108 Ca -0.00 0.32 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1vhs h ALA 108 Cb 0.88 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 1vhs h ALA 108 CO 0.06 -0.48 0.50 -1.35 0.00 0.00 0.00 179.25 177.99 1vhs h PRO 109 N -0.01 0.75 0.00 0.00 0.11 -1.75 -0.04 132.00 131.05 1vhs h PRO 109 Ca 0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1vhs h PRO 109 Cb 0.65 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1vhs h PRO 109 CO -0.95 0.49 0.00 0.09 -0.21 0.00 0.00 178.00 177.43 1vhs n ASN 110 N -4.49 0.21 -0.52 -2.05 4.13 -0.23 -2.08 115.26 110.23 1vhs n ASN 110 Ca 0.12 0.54 0.13 0.00 1.68 0.00 0.00 54.58 57.05 1vhs n ASN 110 Cb 0.27 -0.59 0.41 0.00 -1.54 0.00 0.00 39.78 38.32 1vhs n ASN 110 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1vhs n LEU 111 N -1.72 1.69 0.00 3.41 4.77 -0.05 -4.92 117.00 120.19 1vhs n LEU 111 Ca 0.05 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1vhs n LEU 111 Cb 0.27 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1vhs n LEU 111 CO 0.21 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1vhs n GLY 112 N 1.24 0.49 3.68 -0.72 0.00 -0.88 -4.91 105.19 104.08 1vhs n GLY 112 Ca 0.17 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1vhs n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhs s ILE 113 N -2.00 4.93 -0.24 -0.61 1.01 -1.08 -4.64 121.20 118.58 1vhs s ILE 113 Ca 0.00 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.22 1vhs s ILE 113 Cb 0.00 -4.10 -0.19 0.00 0.01 0.00 0.00 42.46 38.18 1vhs s ILE 113 CO 0.00 0.09 -0.13 -1.14 0.00 0.00 0.00 174.94 173.77 1vhs n ARG 114 N 4.81 0.67 -4.42 2.79 0.63 0.12 -4.40 116.66 116.86 1vhs n ARG 114 Ca 0.03 0.17 -0.31 0.00 -0.92 0.00 0.00 57.85 56.81 1vhs n ARG 114 Cb 0.50 -1.55 -0.16 0.00 0.45 0.00 0.00 32.46 31.69 1vhs n ARG 114 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1vhs s SER 115 N -6.59 2.87 0.44 6.15 0.01 -0.65 0.33 113.70 116.25 1vhs s SER 115 Ca -0.33 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.45 1vhs s SER 115 Cb 0.09 -1.32 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 1vhs s SER 115 CO 0.63 0.03 0.13 -0.22 0.41 0.00 0.00 173.24 174.22 1vhs s LEU 116 N 1.05 2.87 -0.29 2.44 2.96 -0.26 -1.21 118.68 126.24 1vhs s LEU 116 Ca -0.03 -1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 52.41 1vhs s LEU 116 Cb -0.14 -1.15 0.16 0.00 0.50 0.00 0.00 46.19 45.55 1vhs s LEU 116 CO -0.05 -0.63 1.16 0.00 -1.32 0.00 0.00 176.35 175.50 1vhs s ALA 118 N -2.69 -2.27 -0.37 5.97 0.00 0.25 -1.21 121.76 121.42 1vhs s ALA 118 Ca 0.33 1.95 -0.12 0.00 0.00 0.00 0.00 51.96 54.12 1vhs s ALA 118 Cb 0.04 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1vhs s ALA 118 CO 0.18 -0.25 0.22 -0.06 0.00 0.00 0.00 175.76 175.84 1vhs s PHE 119 N 0.70 3.24 -0.04 0.00 0.40 -1.26 -1.23 117.98 119.78 1vhs s PHE 119 Ca -0.02 -0.83 0.03 0.00 -0.60 0.00 0.00 56.93 55.52 1vhs s PHE 119 Cb -0.04 -2.46 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1vhs s PHE 119 CO -0.12 -0.61 -0.13 0.42 0.70 0.00 0.00 175.22 175.48 1vhs s ILE 120 N 1.59 1.15 0.38 0.64 1.01 -0.38 -4.98 121.20 120.60 1vhs s ILE 120 Ca 0.03 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.86 1vhs s ILE 120 Cb -0.19 -1.01 -0.11 0.00 0.01 0.00 0.00 42.46 41.16 1vhs s ILE 120 CO 0.07 0.34 1.48 0.49 0.00 0.00 0.00 174.94 177.33 1vhs n PHE 121 N 3.37 2.98 0.15 3.97 0.99 -1.26 -0.20 117.46 127.46 1vhs n PHE 121 Ca -0.19 0.45 0.17 0.00 -0.00 0.00 0.00 57.45 57.88 1vhs n PHE 121 Cb 0.53 -2.53 0.78 0.00 -1.00 0.00 0.00 39.48 37.26 1vhs n PHE 121 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1vhs h GLY 122 N 2.96 0.00 -0.04 1.37 0.00 -1.22 -1.53 103.07 104.61 1vhs h GLY 122 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1vhs h GLY 122 CO 0.64 0.00 -0.05 -2.39 0.00 0.00 0.00 176.54 174.74 1vhs n HIS 123 N -3.95 0.00 -2.73 5.60 1.44 -1.26 -4.54 115.22 109.77 1vhs n HIS 123 Ca 0.04 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.31 1vhs n HIS 123 Cb 0.40 -0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.48 1vhs n HIS 123 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1vhs n ASN 124 N -0.21 5.28 -0.21 4.39 2.85 -0.58 -4.83 115.26 121.95 1vhs n ASN 124 Ca 0.18 -3.07 -0.02 0.00 -0.11 0.00 0.00 54.58 51.56 1vhs n ASN 124 Cb 0.32 -1.50 0.09 0.00 1.24 0.00 0.00 39.78 39.93 1vhs n ASN 124 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1vhs h LYS 125 N 6.40 0.59 -0.34 1.20 1.79 -1.84 -2.13 116.57 122.24 1vhs h LYS 125 Ca 0.33 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.82 1vhs h LYS 125 Cb 0.75 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 1vhs h LYS 125 CO 1.39 0.39 0.02 -1.35 -1.08 0.00 0.00 179.45 178.82 1vhs h PRO 126 N 0.61 0.12 -0.51 3.15 0.11 -1.99 0.48 132.00 133.97 1vhs h PRO 126 Ca 0.28 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1vhs h PRO 126 Cb 0.20 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1vhs h PRO 126 CO -0.19 0.08 -0.10 0.77 -0.21 0.00 0.00 178.00 178.35 1vhs h SER 127 N 0.12 0.94 -0.63 -2.05 0.02 -1.94 -1.69 113.55 108.32 1vhs h SER 127 Ca 0.16 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1vhs h SER 127 Cb 0.21 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1vhs h SER 127 CO -0.26 1.05 0.27 -0.07 -1.14 0.00 0.00 176.83 176.68 1vhs h LEU 128 N 0.85 0.85 -0.46 5.07 3.38 -0.87 -1.88 115.31 122.24 1vhs h LEU 128 Ca 0.14 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1vhs h LEU 128 Cb 0.63 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1vhs h LEU 128 CO 0.04 0.77 -0.19 0.11 0.09 0.00 0.00 178.44 179.26 1vhs h LYS 129 N 0.87 0.94 0.16 1.13 1.57 -0.77 -1.98 116.57 118.48 1vhs h LYS 129 Ca 0.21 -0.40 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1vhs h LYS 129 Cb 0.17 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1vhs h LYS 129 CO -0.02 1.06 -0.23 1.25 -0.57 0.00 0.00 179.45 180.94 1vhs h LEU 130 N 0.78 -0.64 -1.05 2.94 5.85 -1.09 -1.97 115.31 120.13 1vhs h LEU 130 Ca 0.11 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1vhs h LEU 130 Cb 0.76 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1vhs h LEU 130 CO 0.06 -0.33 0.40 -0.26 -0.34 0.00 0.00 178.44 177.98 1vhs h PHE 131 N -0.45 1.05 0.00 1.25 -1.00 -1.30 -2.43 116.94 114.05 1vhs h PHE 131 Ca 0.02 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1vhs h PHE 131 Cb 0.46 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.68 1vhs h PHE 131 CO -0.20 0.74 -0.12 0.93 -1.61 0.00 0.00 178.31 178.06 1vhs h GLU 132 N 1.07 0.00 0.00 1.51 5.08 -1.02 -0.34 114.58 120.88 1vhs h GLU 132 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1vhs h GLU 132 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1vhs h GLU 132 CO -0.04 0.12 0.00 0.87 -1.00 0.00 0.00 179.01 178.96 1vhs h LYS 133 N 0.00 0.00 -0.75 2.33 1.57 -0.86 -3.26 116.57 115.61 1vhs h LYS 133 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1vhs h LYS 133 Cb 0.39 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.46 1vhs h LYS 133 CO 0.02 0.00 0.34 0.72 -0.57 0.00 0.00 179.45 179.95 1vhs n HIS 134 N -2.82 2.33 -0.42 -1.35 8.25 -0.17 -4.93 115.22 116.11 1vhs n HIS 134 Ca 0.04 -1.90 0.00 0.00 -0.26 0.00 0.00 57.72 55.60 1vhs n HIS 134 Cb 0.45 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1vhs n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vhs n GLY 135 N -1.10 0.99 3.80 -1.41 0.00 -1.21 -5.05 105.19 101.21 1vhs n GLY 135 Ca 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 1vhs n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vhs s PHE 136 N -2.97 3.62 0.13 1.61 0.40 -0.99 -4.65 117.98 115.11 1vhs s PHE 136 Ca 0.00 1.58 0.07 0.00 -0.60 0.00 0.00 56.93 57.98 1vhs s PHE 136 Cb 0.00 -2.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 1vhs s PHE 136 CO 0.00 0.22 -0.18 0.00 0.70 0.00 0.00 175.22 175.96 1vhs s ALA 137 N -1.66 1.74 -0.20 5.36 0.00 -0.46 -4.28 121.76 122.27 1vhs s ALA 137 Ca 0.49 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 1vhs s ALA 137 Cb -0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1vhs s ALA 137 CO 0.21 0.24 1.44 -2.00 0.00 0.00 0.00 175.76 175.65 1vhs s GLU 138 N -2.38 4.01 -0.01 0.00 2.12 -1.26 -0.93 118.70 120.24 1vhs s GLU 138 Ca 0.09 1.63 0.22 0.00 0.36 0.00 0.00 54.97 57.27 1vhs s GLU 138 Cb -0.07 -3.91 -0.28 0.00 0.26 0.00 0.00 34.13 30.13 1vhs s GLU 138 CO 0.05 -1.01 0.66 0.91 -0.54 0.00 0.00 175.26 175.33 1vhs n TRP 139 N 7.50 0.02 -3.55 5.30 8.01 0.12 -4.93 117.44 129.90 1vhs n TRP 139 Ca 0.16 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.29 1vhs n TRP 139 Cb 0.45 -0.31 -0.02 0.00 -2.01 0.00 0.00 31.31 29.42 1vhs n TRP 139 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1vhs s GLY 140 N -3.92 -0.41 -0.14 6.99 0.00 -0.95 -4.96 107.32 103.95 1vhs s GLY 140 Ca -0.02 1.04 -0.04 0.00 0.00 0.00 0.00 44.72 45.70 1vhs s GLY 140 CO 0.89 0.34 0.19 -2.27 0.00 0.00 0.00 173.10 172.25 1vhs s LEU 141 N -2.48 -0.08 -0.47 0.66 0.20 -1.26 -0.78 118.68 114.46 1vhs s LEU 141 Ca 0.07 0.11 -0.12 0.00 0.69 0.00 0.00 54.13 54.88 1vhs s LEU 141 Cb -0.01 0.33 0.10 0.00 -0.43 0.00 0.00 46.19 46.18 1vhs s LEU 141 CO -0.07 -0.28 0.36 -0.36 -0.29 0.00 0.00 176.35 175.72 1vhs s PHE 142 N 2.31 3.34 0.08 5.38 0.08 0.23 -4.97 117.98 124.43 1vhs s PHE 142 Ca 0.04 -1.51 -0.31 0.00 0.12 0.00 0.00 56.93 55.27 1vhs s PHE 142 Cb -0.14 -3.37 -0.08 0.00 -0.57 0.00 0.00 43.02 38.86 1vhs s PHE 142 CO -0.08 -0.93 1.62 -1.25 -0.10 0.00 0.00 175.22 174.47 1vhs s PRO 143 N 1.47 4.21 -0.79 0.24 0.04 -1.26 -1.58 135.00 137.34 1vhs s PRO 143 Ca 0.04 2.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1vhs s PRO 143 Cb -0.26 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.78 1vhs s PRO 143 CO 0.02 -0.70 0.11 0.41 0.04 0.00 0.00 177.00 176.88 1vhs n GLY 144 N 3.93 -0.49 0.01 0.56 0.00 -1.14 -4.84 105.19 103.22 1vhs n GLY 144 Ca 0.15 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1vhs n GLY 144 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vhs n ILE 145 N -3.23 0.07 -4.25 -0.61 -5.35 -1.03 -4.53 119.36 100.44 1vhs n ILE 145 Ca -0.07 -0.04 -0.34 0.00 -0.27 0.00 0.00 62.75 62.03 1vhs n ILE 145 Cb 0.56 -0.41 -0.12 0.00 -1.74 0.00 0.00 39.64 37.93 1vhs n ILE 145 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vhs s ALA 146 N -3.01 3.03 0.28 -1.28 0.00 -1.03 -4.98 121.76 114.76 1vhs s ALA 146 Ca 0.13 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.32 1vhs s ALA 146 Cb 0.18 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 1vhs s ALA 146 CO 0.56 0.06 -0.18 -2.00 0.00 0.00 0.00 175.76 174.21 1vhs s GLU 147 N 0.62 1.66 0.00 0.00 2.12 -1.26 0.62 118.70 122.46 1vhs s GLU 147 Ca -0.01 -1.77 0.00 0.00 0.36 0.00 0.00 54.97 53.54 1vhs s GLU 147 Cb -0.14 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.56 1vhs s GLU 147 CO 0.02 0.29 0.00 -0.25 -0.54 0.00 0.00 175.26 174.78 1vhs n ASP 149 N -0.61 0.00 -0.10 -1.70 10.43 -1.26 -4.92 116.55 118.38 1vhs n ASP 149 Ca -0.05 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.29 1vhs n ASP 149 Cb 0.60 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.56 1vhs n ASP 149 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1vhs n GLY 150 N 0.00 0.45 3.42 0.44 0.00 -1.26 -5.01 105.19 103.23 1vhs n GLY 150 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1vhs n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vhs s LYS 151 N -1.03 1.89 -0.13 1.61 -0.14 -1.26 -5.13 119.74 115.56 1vhs s LYS 151 Ca 0.00 -1.08 -0.08 0.00 -1.36 0.00 0.00 55.97 53.45 1vhs s LYS 151 Cb 0.00 -2.09 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 1vhs s LYS 151 CO 0.00 0.52 0.16 1.03 -0.76 0.00 0.00 175.35 176.30 1vhs s ARG 152 N -1.51 3.63 0.11 1.68 0.52 -1.26 -4.27 118.95 117.85 1vhs s ARG 152 Ca 0.14 -0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.34 1vhs s ARG 152 Cb -0.10 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 1vhs s ARG 152 CO 0.05 0.67 -0.24 0.71 0.02 0.00 0.00 175.30 176.51 1vhs s TYR 153 N -0.74 2.06 0.13 -0.53 1.51 0.20 -4.84 117.35 115.14 1vhs s TYR 153 Ca 0.14 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.68 1vhs s TYR 153 Cb -0.12 -1.14 -0.07 0.00 -0.11 0.00 0.00 41.96 40.53 1vhs s TYR 153 CO 0.04 0.25 0.51 -0.51 -1.11 0.00 0.00 175.55 174.72 1vhs s ASP 154 N -1.86 6.76 -0.20 2.29 -0.00 -1.26 -2.45 116.67 119.94 1vhs s ASP 154 Ca 0.10 0.98 -0.02 0.00 -0.00 0.00 0.00 52.55 53.61 1vhs s ASP 154 Cb -0.10 -2.25 -0.00 0.00 -0.00 0.00 0.00 42.92 40.57 1vhs s ASP 154 CO 0.05 0.11 -0.09 -0.22 -0.00 0.00 0.00 175.17 175.02 1vhs s LEU 155 N -2.00 2.71 -0.06 1.23 2.96 -0.61 -0.66 118.68 122.25 1vhs s LEU 155 Ca 0.37 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1vhs s LEU 155 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1vhs s LEU 155 CO 0.19 0.02 0.14 -0.54 -1.32 0.00 0.00 176.35 174.84 1vhs s LYS 156 N 1.25 3.37 -0.20 1.98 1.02 0.72 -0.60 119.74 127.28 1vhs s LYS 156 Ca 0.03 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.73 1vhs s LYS 156 Cb -0.14 -3.09 -0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1vhs s LYS 156 CO -0.04 0.72 -0.09 0.42 -0.92 0.00 0.00 175.35 175.43 1vhs s ILE 157 N -1.17 3.02 -0.03 2.17 1.09 0.04 -1.25 121.20 125.06 1vhs s ILE 157 Ca 0.21 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 59.16 1vhs s ILE 157 Cb -0.12 -2.34 -0.03 0.00 -1.06 0.00 0.00 42.46 38.91 1vhs s ILE 157 CO 0.11 0.47 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.59 1vhs s LEU 158 N 1.24 3.17 0.07 2.97 1.02 -0.36 0.13 118.68 126.92 1vhs s LEU 158 Ca 0.03 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.10 1vhs s LEU 158 Cb -0.14 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 1vhs s LEU 158 CO -0.04 0.32 -0.05 -0.83 0.02 0.00 0.00 176.35 175.78 1vhs s GLY 159 N -1.10 0.59 -0.15 -3.19 0.00 -0.11 -0.59 107.32 102.78 1vhs s GLY 159 Ca 0.15 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 1vhs s GLY 159 CO 0.04 -1.36 0.37 -1.60 0.00 0.00 0.00 173.10 170.55 1vhs s ARG 160 N -3.81 0.36 -0.26 2.90 3.52 -0.35 -1.35 118.95 119.95 1vhs s ARG 160 Ca 0.08 0.67 -0.17 0.00 -0.13 0.00 0.00 55.73 56.19 1vhs s ARG 160 Cb 0.06 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.43 1vhs s ARG 160 CO -0.08 -0.13 0.46 -2.00 -0.81 0.00 0.00 175.30 172.74 1vhs s GLU 161 N 1.10 4.05 -0.15 5.12 2.12 -1.26 -1.10 118.70 128.57 1vhs s GLU 161 Ca -0.07 0.21 -0.24 0.00 0.36 0.00 0.00 54.97 55.23 1vhs s GLU 161 Cb -0.07 -3.65 -0.24 0.00 0.26 0.00 0.00 34.13 30.42 1vhs s GLU 161 CO -0.09 -0.32 0.56 -0.07 -0.54 0.00 0.00 175.26 174.80 1vhs h LEU 162 N 8.71 0.09 -9.61 2.70 4.07 -0.42 -3.47 115.31 117.38 1vhs h LEU 162 Ca -0.30 -0.81 -0.56 0.00 0.08 0.00 0.00 57.88 56.29 1vhs h LEU 162 Cb 1.15 -0.03 0.07 0.00 1.08 0.00 0.00 40.66 42.93 1vhs h LEU 162 CO 0.69 1.29 0.81 -1.20 -1.08 0.00 0.00 178.44 178.95 1vhs n SER 163 N -4.41 3.33 0.00 -0.43 7.64 -1.22 -5.09 113.62 113.44 1vhs n SER 163 Ca -0.20 1.10 0.03 0.00 1.01 0.00 0.00 58.87 60.82 1vhs n SER 163 Cb 0.64 -1.49 0.19 0.00 -1.01 0.00 0.00 64.21 62.54 1vhs n SER 163 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19