#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhn s LYS 6 N 0.00 2.78 -0.16 5.55 -0.14 -1.13 -5.00 119.74 121.65 1vhn s LYS 6 Ca 0.00 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 1vhn s LYS 6 Cb 0.00 -2.66 0.03 0.00 -1.68 0.00 0.00 37.83 33.52 1vhn s LYS 6 CO 0.00 0.64 -0.11 0.08 -0.76 0.00 0.00 175.35 175.19 1vhn s VAL 7 N -1.02 1.47 0.31 3.17 1.01 -1.26 -1.65 120.40 122.43 1vhn s VAL 7 Ca 0.18 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.57 1vhn s VAL 7 Cb -0.11 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1vhn s VAL 7 CO 0.08 0.34 -0.13 -0.83 0.00 0.00 0.00 175.10 174.56 1vhn s GLY 8 N 1.51 2.00 -0.20 4.51 0.00 -0.54 -0.60 107.32 114.00 1vhn s GLY 8 Ca 0.03 -1.97 -0.23 0.00 0.00 0.00 0.00 44.72 42.55 1vhn s GLY 8 CO -0.09 -1.97 0.74 -2.27 0.00 0.00 0.00 173.10 169.50 1vhn s LEU 9 N -3.54 4.14 0.77 0.66 2.96 -0.34 -1.04 118.68 122.29 1vhn s LEU 9 Ca 0.31 0.98 -0.11 0.00 -0.22 0.00 0.00 54.13 55.09 1vhn s LEU 9 Cb -0.00 -3.07 0.06 0.00 0.50 0.00 0.00 46.19 43.68 1vhn s LEU 9 CO 0.15 -0.37 1.09 0.00 -1.32 0.00 0.00 176.35 175.90 1vhn s ALA 10 N 2.21 2.24 1.13 5.97 0.00 -0.08 -3.47 121.76 129.77 1vhn s ALA 10 Ca 0.33 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1vhn s ALA 10 Cb -0.16 -3.27 0.20 0.00 0.00 0.00 0.00 23.12 19.89 1vhn s ALA 10 CO 0.10 -1.78 0.81 -0.35 0.00 0.00 0.00 175.76 174.54 1vhn n PRO 11 N -3.53 -2.11 -5.09 0.00 -0.04 -1.26 -4.65 135.00 118.32 1vhn n PRO 11 Ca 0.09 -1.28 -0.31 0.00 -0.04 0.00 0.00 63.50 61.96 1vhn n PRO 11 Cb 0.53 -1.10 -0.17 0.00 -0.04 0.00 0.00 33.50 32.72 1vhn n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vhn s ALA 13 N -3.25 2.04 0.00 0.55 0.00 -1.26 -5.01 121.76 114.83 1vhn s ALA 13 Ca 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1vhn s ALA 13 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1vhn s ALA 13 CO 0.38 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.79 1vhn n GLY 14 N 3.60 1.87 1.11 0.00 0.00 -1.26 -4.81 105.19 105.70 1vhn n GLY 14 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1vhn n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vhn n TYR 15 N -2.00 -0.02 -1.82 1.61 4.02 -1.26 -4.90 117.16 112.79 1vhn n TYR 15 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1vhn n TYR 15 Cb 0.00 0.05 -0.01 0.00 -0.02 0.00 0.00 39.34 39.36 1vhn n TYR 15 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1vhn n THR 16 N -2.99 4.21 -2.03 -0.72 -2.24 -1.26 -4.60 114.28 104.64 1vhn n THR 16 Ca 0.00 -3.48 -0.17 0.00 -2.27 0.00 0.00 64.05 58.13 1vhn n THR 16 Cb 0.41 -2.46 0.10 0.00 -2.10 0.00 0.00 70.33 66.29 1vhn n THR 16 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vhn n ASP 17 N 4.13 0.47 -0.01 3.42 5.68 -1.26 -3.97 116.55 124.99 1vhn n ASP 17 Ca 0.58 -1.52 0.02 0.00 -0.50 0.00 0.00 54.79 53.36 1vhn n ASP 17 Cb 0.32 -0.54 0.36 0.00 -1.14 0.00 0.00 41.12 40.12 1vhn n ASP 17 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1vhn h SER 18 N -0.76 0.51 -0.21 -1.12 4.64 -1.94 -0.93 113.55 113.74 1vhn h SER 18 Ca -0.25 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1vhn h SER 18 Cb 0.78 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1vhn h SER 18 CO 0.21 0.46 0.04 0.00 -0.87 0.00 0.00 176.83 176.67 1vhn h ALA 19 N 1.62 0.27 -0.28 5.18 0.00 -1.93 -0.73 119.26 123.39 1vhn h ALA 19 Ca 0.14 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1vhn h ALA 19 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1vhn h ALA 19 CO -0.02 -0.07 -0.51 0.35 0.00 0.00 0.00 179.25 179.01 1vhn h PHE 20 N 0.14 1.00 -0.47 0.00 3.57 -1.74 -0.89 116.94 118.56 1vhn h PHE 20 Ca 0.06 -0.34 0.03 0.00 3.53 0.00 0.00 57.97 61.26 1vhn h PHE 20 Cb 0.30 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1vhn h PHE 20 CO 0.02 1.14 0.25 0.00 -2.23 0.00 0.00 178.31 177.49 1vhn h ARG 21 N 0.62 0.47 -0.32 1.11 3.08 -1.10 0.08 114.38 118.33 1vhn h ARG 21 Ca 0.02 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1vhn h ARG 21 Cb 1.10 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1vhn h ARG 21 CO 0.11 0.31 0.19 1.15 -1.07 0.00 0.00 179.97 180.67 1vhn h THR 22 N 0.49 1.05 -0.75 2.04 2.02 -0.96 -1.54 112.91 115.26 1vhn h THR 22 Ca 0.20 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1vhn h THR 22 Cb 0.09 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1vhn h THR 22 CO -0.13 0.07 0.46 0.25 0.37 0.00 0.00 175.52 176.55 1vhn h LEU 23 N 0.39 0.74 -0.81 2.58 5.85 -0.71 -0.96 115.31 122.40 1vhn h LEU 23 Ca 0.12 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1vhn h LEU 23 Cb -0.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1vhn h LEU 23 CO -0.05 0.50 0.50 0.00 -0.34 0.00 0.00 178.44 179.05 1vhn h ALA 24 N 1.34 1.03 0.00 1.25 0.00 -0.36 -1.84 119.26 120.68 1vhn h ALA 24 Ca 0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1vhn h ALA 24 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1vhn h ALA 24 CO -0.14 0.49 -0.20 0.74 0.00 0.00 0.00 179.25 180.14 1vhn h PHE 25 N 1.11 0.00 0.00 0.00 0.04 -0.60 -0.62 116.94 116.87 1vhn h PHE 25 Ca 0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.06 1vhn h PHE 25 Cb -0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1vhn h PHE 25 CO -0.01 0.20 0.00 0.39 -0.60 0.00 0.00 178.31 178.29 1vhn n GLU 26 N -4.20 0.38 -0.03 1.51 1.02 -0.43 -2.15 120.64 116.74 1vhn n GLU 26 Ca -0.02 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.22 1vhn n GLU 26 Cb 0.27 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 1vhn n GLU 26 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1vhn n TRP 27 N -1.24 0.00 -0.01 -0.32 7.02 -0.55 -5.00 117.44 117.34 1vhn n TRP 27 Ca 0.12 -0.68 0.00 0.00 -1.02 0.00 0.00 57.50 55.92 1vhn n TRP 27 Cb 0.16 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 1vhn n TRP 27 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vhn n GLY 28 N -0.85 0.75 3.74 6.99 0.00 -0.91 -2.14 105.19 112.77 1vhn n GLY 28 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1vhn n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhn s ALA 29 N -2.01 2.49 -0.10 4.61 0.00 -0.35 -4.82 121.76 121.58 1vhn s ALA 29 Ca 0.00 1.18 0.15 0.00 0.00 0.00 0.00 51.96 53.29 1vhn s ALA 29 Cb 0.00 -3.53 -0.16 0.00 0.00 0.00 0.00 23.12 19.43 1vhn s ALA 29 CO 0.00 -1.45 0.78 -0.25 0.00 0.00 0.00 175.76 174.84 1vhn n ASP 30 N -1.69 0.88 -3.73 0.00 8.00 0.23 -4.61 116.55 115.62 1vhn n ASP 30 Ca 0.14 0.40 -0.04 0.00 0.71 0.00 0.00 54.79 56.00 1vhn n ASP 30 Cb 0.48 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.64 1vhn n ASP 30 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1vhn s PHE 31 N -2.82 -0.15 0.36 1.24 -0.12 -1.26 -4.93 117.98 110.30 1vhn s PHE 31 Ca -0.03 -0.14 -0.09 0.00 -0.05 0.00 0.00 56.93 56.61 1vhn s PHE 31 Cb 0.08 0.63 0.03 0.00 -0.63 0.00 0.00 43.02 43.13 1vhn s PHE 31 CO 0.81 -0.80 0.63 0.00 -0.05 0.00 0.00 175.22 175.81 1vhn s ALA 32 N -3.26 0.00 0.06 1.99 0.00 -0.37 -1.20 121.76 118.98 1vhn s ALA 32 Ca 0.12 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1vhn s ALA 32 Cb -0.01 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1vhn s ALA 32 CO 0.01 -0.89 -0.09 -0.06 0.00 0.00 0.00 175.76 174.73 1vhn s PHE 33 N -2.75 0.83 0.87 0.00 0.40 -1.23 -1.40 117.98 114.69 1vhn s PHE 33 Ca 0.23 -0.56 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 1vhn s PHE 33 Cb -0.03 -0.48 0.11 0.00 0.51 0.00 0.00 43.02 43.13 1vhn s PHE 33 CO 0.16 -0.06 1.09 -1.54 0.70 0.00 0.00 175.22 175.57 1vhn s SER 34 N -1.89 3.72 0.00 1.36 1.04 0.13 -4.58 113.70 113.47 1vhn s SER 34 Ca -0.04 1.60 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1vhn s SER 34 Cb -0.07 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1vhn s SER 34 CO 0.00 -2.50 0.06 -0.62 0.98 0.00 0.00 173.24 171.16 1vhn n GLU 35 N -3.80 0.00 -3.47 4.02 1.02 -1.26 -4.45 120.64 112.71 1vhn n GLU 35 Ca 0.08 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1vhn n GLU 35 Cb 0.55 -0.43 -0.04 0.00 -0.02 0.00 0.00 31.44 31.50 1vhn n GLU 35 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1vhn s VAL 37 N -0.12 -0.71 0.08 2.62 1.01 0.32 -4.57 120.40 119.02 1vhn s VAL 37 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 1vhn s VAL 37 Cb 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 1vhn s VAL 37 CO 0.00 0.00 1.64 -0.55 0.00 0.00 0.00 175.10 176.19 1vhn s SER 38 N 2.67 6.61 0.15 3.32 0.15 -1.26 -1.01 113.70 124.33 1vhn s SER 38 Ca -0.02 2.50 -0.13 0.00 0.70 0.00 0.00 55.95 58.99 1vhn s SER 38 Cb -0.09 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.69 1vhn s SER 38 CO -0.18 -0.87 1.69 0.00 1.20 0.00 0.00 173.24 175.08 1vhn h ALA 39 N 8.10 0.66 -0.45 5.45 0.00 -1.49 -0.33 119.26 131.20 1vhn h ALA 39 Ca -0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1vhn h ALA 39 Cb 1.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1vhn h ALA 39 CO 0.93 0.30 0.09 -0.22 0.00 0.00 0.00 179.25 180.35 1vhn h LYS 40 N 0.68 0.73 -0.75 0.00 3.11 -1.86 -1.23 116.57 117.25 1vhn h LYS 40 Ca 0.17 -0.18 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 1vhn h LYS 40 Cb 0.24 -0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.35 1vhn h LYS 40 CO -0.01 0.74 0.38 0.78 -2.81 0.00 0.00 179.45 178.53 1vhn h GLY 41 N 0.59 1.13 0.93 5.01 0.00 -1.90 -2.44 103.07 106.40 1vhn h GLY 41 Ca 0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1vhn h GLY 41 CO 0.00 0.51 0.11 -2.75 0.00 0.00 0.00 176.54 174.41 1vhn h PHE 42 N 1.06 0.62 0.00 5.60 3.57 -0.80 -0.94 116.94 126.04 1vhn h PHE 42 Ca 0.26 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1vhn h PHE 42 Cb 0.07 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1vhn h PHE 42 CO 0.01 0.59 0.00 1.28 -2.23 0.00 0.00 178.31 177.96 1vhn n LEU 43 N -4.61 1.82 -2.44 0.59 4.77 -0.49 -4.48 117.00 112.17 1vhn n LEU 43 Ca -0.01 -0.82 -0.03 0.00 -0.03 0.00 0.00 56.01 55.12 1vhn n LEU 43 Cb 0.18 -0.38 0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1vhn n LEU 43 CO 0.38 0.34 0.54 0.59 -1.33 0.00 0.00 177.39 177.90 1vhn n ASN 45 N 1.73 -1.22 -4.77 -1.43 3.02 -0.86 -5.10 115.26 106.63 1vhn n ASN 45 Ca 0.00 -1.96 -0.38 0.00 -0.03 0.00 0.00 54.58 52.21 1vhn n ASN 45 Cb 0.18 0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 1vhn n ASN 45 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1vhn s SER 46 N -0.83 6.59 0.19 6.41 1.04 -0.41 -4.94 113.70 121.75 1vhn s SER 46 Ca 0.09 2.30 -0.09 0.00 0.48 0.00 0.00 55.95 58.72 1vhn s SER 46 Cb 0.31 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.94 1vhn s SER 46 CO -0.09 -0.63 1.73 -0.61 0.98 0.00 0.00 173.24 174.63 1vhn h GLN 47 N 2.67 1.08 -0.44 4.02 4.15 -1.99 -1.80 115.11 122.80 1vhn h GLN 47 Ca -0.49 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 58.72 1vhn h GLN 47 Cb 1.23 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.74 1vhn h GLN 47 CO 0.63 0.93 0.26 0.87 -1.93 0.00 0.00 178.83 179.59 1vhn h LYS 48 N 1.02 0.52 -0.33 1.69 6.56 -1.96 -1.92 116.57 122.14 1vhn h LYS 48 Ca 0.23 -0.03 -0.15 0.00 -1.06 0.00 0.00 60.65 59.64 1vhn h LYS 48 Cb 0.29 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 1vhn h LYS 48 CO -0.01 0.34 -0.39 1.79 -2.06 0.00 0.00 179.45 179.12 1vhn h THR 49 N 0.53 1.28 -0.64 -0.16 1.35 -1.84 -2.91 112.91 110.52 1vhn h THR 49 Ca 0.17 -1.57 0.02 0.00 -0.55 0.00 0.00 66.41 64.48 1vhn h THR 49 Cb -0.01 1.44 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 1vhn h THR 49 CO -0.07 0.51 0.42 -0.33 -0.25 0.00 0.00 175.52 175.81 1vhn h GLU 50 N 0.65 0.80 0.00 4.72 4.39 -1.04 -0.94 114.58 123.17 1vhn h GLU 50 Ca 0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1vhn h GLU 50 Cb 0.95 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1vhn h GLU 50 CO 0.09 0.53 0.00 0.93 -1.16 0.00 0.00 179.01 179.40 1vhn h GLU 51 N 0.83 0.00 0.00 2.33 3.07 -1.16 -3.09 114.58 116.55 1vhn h GLU 51 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1vhn h GLU 51 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1vhn h GLU 51 CO -0.06 0.00 -0.65 -0.07 -1.40 0.00 0.00 179.01 176.83 1vhn h LEU 52 N 0.00 0.00 -9.99 1.33 3.38 -1.05 -3.47 115.31 105.50 1vhn h LEU 52 Ca 0.00 -0.04 -0.53 0.00 0.09 0.00 0.00 57.88 57.40 1vhn h LEU 52 Cb 0.56 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.41 1vhn h LEU 52 CO 0.00 0.02 0.61 -0.76 0.09 0.00 0.00 178.44 178.39 1vhn s LEU 53 N -5.36 4.05 0.83 1.67 1.43 -1.13 -4.49 118.68 115.67 1vhn s LEU 53 Ca 0.03 2.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.69 1vhn s LEU 53 Cb 0.09 -4.08 0.09 0.00 0.03 0.00 0.00 46.19 42.32 1vhn s LEU 53 CO 0.74 -1.14 1.11 -2.84 0.23 0.00 0.00 176.35 174.45 1vhn s PRO 54 N -2.56 1.85 0.41 1.29 0.02 -1.26 -5.02 135.00 129.73 1vhn s PRO 54 Ca 0.63 0.52 -0.20 0.00 0.02 0.00 0.00 61.00 61.98 1vhn s PRO 54 Cb -0.38 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 1vhn s PRO 54 CO 0.48 -1.76 0.90 -0.65 -0.33 0.00 0.00 177.00 175.64 1vhn s GLN 55 N -5.21 4.17 0.57 5.54 1.11 -1.26 -4.94 119.66 119.64 1vhn s GLN 55 Ca 0.62 1.01 0.28 0.00 0.01 0.00 0.00 55.36 57.28 1vhn s GLN 55 Cb -0.14 -2.24 1.68 0.00 -1.01 0.00 0.00 33.01 31.30 1vhn s GLN 55 CO 0.54 0.01 2.20 -1.35 0.01 0.00 0.00 175.29 176.69 1vhn h PRO 56 N 1.97 0.00 0.00 2.91 0.11 -1.95 -0.29 132.00 134.75 1vhn h PRO 56 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vhn h PRO 56 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1vhn h PRO 56 CO 0.62 0.04 -0.07 0.72 -0.21 0.00 0.00 178.00 179.10 1vhn n HIS 57 N -3.83 0.04 -2.20 0.65 8.25 -1.26 -4.70 115.22 112.17 1vhn n HIS 57 Ca -0.03 0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1vhn n HIS 57 Cb 0.13 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 1vhn n HIS 57 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1vhn s GLU 58 N -3.00 3.21 0.56 -0.41 2.12 -0.12 -4.97 118.70 116.09 1vhn s GLU 58 Ca 0.13 0.85 -0.17 0.00 0.36 0.00 0.00 54.97 56.14 1vhn s GLU 58 Cb 0.19 -4.18 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 1vhn s GLU 58 CO 0.56 -2.02 1.06 -0.98 -0.54 0.00 0.00 175.26 173.33 1vhn s ARG 59 N 5.78 3.44 -1.51 4.30 1.04 -1.26 -4.08 118.95 126.67 1vhn s ARG 59 Ca 0.65 1.27 -0.03 0.00 -1.04 0.00 0.00 55.73 56.58 1vhn s ARG 59 Cb -0.15 -2.05 0.01 0.00 -2.04 0.00 0.00 34.95 30.73 1vhn s ARG 59 CO 0.28 -0.72 0.33 0.09 -0.04 0.00 0.00 175.30 175.24 1vhn n ASN 60 N -1.71 -5.39 -3.98 -2.89 4.13 -1.26 -4.90 115.26 99.27 1vhn n ASN 60 Ca 0.09 -0.15 -0.28 0.00 1.68 0.00 0.00 54.58 55.92 1vhn n ASN 60 Cb 0.53 -4.43 -0.17 0.00 -1.54 0.00 0.00 39.78 34.17 1vhn n ASN 60 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1vhn s VAL 61 N -3.02 1.29 0.46 2.41 1.01 -1.26 -1.23 120.40 120.06 1vhn s VAL 61 Ca 0.19 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1vhn s VAL 61 Cb -0.09 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.97 1vhn s VAL 61 CO 0.23 0.41 0.93 0.00 0.00 0.00 0.00 175.10 176.67 1vhn s ALA 62 N 1.42 3.12 -0.42 5.51 0.00 -0.49 -4.79 121.76 126.09 1vhn s ALA 62 Ca 0.01 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 1vhn s ALA 62 Cb -0.13 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1vhn s ALA 62 CO -0.07 -0.07 0.44 0.08 0.00 0.00 0.00 175.76 176.14 1vhn s VAL 63 N -2.43 5.09 -0.12 0.00 1.01 -0.60 -0.70 120.40 122.65 1vhn s VAL 63 Ca 0.58 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 1vhn s VAL 63 Cb -0.10 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1vhn s VAL 63 CO 0.25 -0.43 0.53 -1.58 0.00 0.00 0.00 175.10 173.88 1vhn s GLN 64 N 2.13 4.34 0.22 2.72 0.74 -1.26 -0.93 119.66 127.62 1vhn s GLN 64 Ca 0.12 0.54 0.10 0.00 0.05 0.00 0.00 55.36 56.17 1vhn s GLN 64 Cb -0.17 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1vhn s GLN 64 CO 0.14 0.08 -0.08 0.96 -0.55 0.00 0.00 175.29 175.83 1vhn s ILE 65 N 0.84 3.16 0.06 -2.34 -4.36 0.07 -0.52 121.20 118.11 1vhn s ILE 65 Ca 0.28 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1vhn s ILE 65 Cb -0.16 -2.62 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 1vhn s ILE 65 CO 0.12 -0.23 -0.06 0.72 0.24 0.00 0.00 174.94 175.72 1vhn s PHE 66 N -2.01 0.65 0.00 1.37 -0.71 -0.18 -1.20 117.98 115.90 1vhn s PHE 66 Ca 0.28 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.45 1vhn s PHE 66 Cb -0.07 -0.40 0.00 0.00 -1.21 0.00 0.00 43.02 41.34 1vhn s PHE 66 CO 0.17 -0.17 0.00 0.41 -1.34 0.00 0.00 175.22 174.29 1vhn n GLY 67 N 0.83 1.10 0.00 1.99 0.00 -1.26 -1.18 105.19 106.66 1vhn n GLY 67 Ca -0.18 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 44.93 1vhn n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vhn n SER 68 N 0.00 2.45 -4.44 1.61 3.41 -1.26 -4.39 113.62 111.00 1vhn n SER 68 Ca 0.00 -0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.16 1vhn n SER 68 Cb 0.00 1.35 -0.13 0.00 -0.26 0.00 0.00 64.21 65.17 1vhn n SER 68 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1vhn s GLU 69 N -2.51 3.15 0.28 4.33 2.02 -1.26 -4.95 118.70 119.76 1vhn s GLU 69 Ca -0.02 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.33 1vhn s GLU 69 Cb 0.06 -2.61 0.55 0.00 0.10 0.00 0.00 34.13 32.23 1vhn s GLU 69 CO 0.38 0.37 1.81 -1.35 0.02 0.00 0.00 175.26 176.50 1vhn h PRO 70 N 6.21 0.86 -0.66 0.39 0.11 -1.95 -1.81 132.00 135.16 1vhn h PRO 70 Ca -0.34 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 1vhn h PRO 70 Cb 1.19 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1vhn h PRO 70 CO 0.55 0.57 0.18 -2.95 -0.21 0.00 0.00 178.00 176.14 1vhn h ASN 71 N 0.89 0.97 0.13 -2.05 -1.07 -1.99 -0.60 115.58 111.86 1vhn h ASN 71 Ca 0.49 -0.19 -0.24 0.00 0.07 0.00 0.00 56.30 56.44 1vhn h ASN 71 Cb 0.54 -0.25 0.01 0.00 -2.07 0.00 0.00 38.32 36.55 1vhn h ASN 71 CO -0.29 0.92 -0.93 -0.33 0.07 0.00 0.00 177.43 176.87 1vhn h GLU 72 N 0.99 0.58 -0.27 4.14 5.08 -1.81 -2.07 114.58 121.23 1vhn h GLU 72 Ca 0.21 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1vhn h GLU 72 Cb 0.32 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1vhn h GLU 72 CO -0.00 1.20 0.08 -0.07 -1.00 0.00 0.00 179.01 179.21 1vhn h LEU 73 N 0.35 0.40 -0.54 1.33 3.38 -1.25 -1.16 115.31 117.82 1vhn h LEU 73 Ca -0.09 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1vhn h LEU 73 Cb 1.56 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 1vhn h LEU 73 CO 0.17 0.50 0.16 0.28 0.09 0.00 0.00 178.44 179.64 1vhn h SER 74 N 0.27 0.79 -0.32 -0.43 0.02 -1.14 -0.09 113.55 112.66 1vhn h SER 74 Ca 0.09 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1vhn h SER 74 Cb 0.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1vhn h SER 74 CO -0.00 0.80 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.40 1vhn h GLU 75 N 0.75 0.57 -0.60 3.45 4.57 -1.33 0.49 114.58 122.48 1vhn h GLU 75 Ca 0.17 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1vhn h GLU 75 Cb 0.30 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1vhn h GLU 75 CO -0.00 0.71 0.36 0.00 -1.18 0.00 0.00 179.01 178.90 1vhn h ALA 76 N 0.84 0.76 -0.86 2.92 0.00 -1.11 -2.10 119.26 119.72 1vhn h ALA 76 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1vhn h ALA 76 Cb 0.45 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1vhn h ALA 76 CO 0.02 0.24 0.45 0.00 0.00 0.00 0.00 179.25 179.96 1vhn h ALA 77 N 1.19 1.10 -0.49 0.00 0.00 -0.73 0.13 119.26 120.46 1vhn h ALA 77 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1vhn h ALA 77 Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1vhn h ALA 77 CO -0.04 0.63 0.20 -0.09 0.00 0.00 0.00 179.25 179.95 1vhn h ARG 78 N 1.21 0.73 -0.23 0.00 2.43 -0.61 -0.87 114.38 117.04 1vhn h ARG 78 Ca 0.30 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1vhn h ARG 78 Cb 0.06 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1vhn h ARG 78 CO -0.05 0.65 -0.16 0.82 -1.51 0.00 0.00 179.97 179.72 1vhn h ILE 79 N 0.65 1.31 -0.29 1.20 2.04 -1.11 -3.03 117.51 118.28 1vhn h ILE 79 Ca 0.16 -1.28 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 1vhn h ILE 79 Cb 0.19 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1vhn h ILE 79 CO -0.01 0.39 0.00 -0.07 0.00 0.00 0.00 178.15 178.46 1vhn h LEU 80 N 0.21 0.41 -2.76 1.44 3.38 -0.68 -1.98 115.31 115.32 1vhn h LEU 80 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vhn h LEU 80 Cb 0.69 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1vhn h LEU 80 CO 0.04 0.47 0.00 0.28 0.09 0.00 0.00 178.44 179.33 1vhn h SER 81 N 0.42 0.00 0.20 -0.43 0.02 -1.02 0.32 113.55 113.06 1vhn h SER 81 Ca 0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1vhn h SER 81 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1vhn h SER 81 CO 0.01 0.00 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.17 1vhn h GLU 82 N 0.00 0.00 0.00 3.45 5.08 -1.40 -3.33 114.58 118.38 1vhn h GLU 82 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vhn h GLU 82 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1vhn h GLU 82 CO -0.00 0.19 -0.94 1.63 -1.00 0.00 0.00 179.01 178.89 1vhn n LYS 83 N -4.30 1.62 -4.65 2.33 5.02 -0.59 -5.05 118.16 112.54 1vhn n LYS 83 Ca -0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 1vhn n LYS 83 Cb 0.25 -0.97 -0.13 0.00 -0.02 0.00 0.00 35.03 34.17 1vhn n LYS 83 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1vhn s TYR 84 N -1.91 2.89 -1.85 2.13 2.02 0.10 -4.82 117.35 115.92 1vhn s TYR 84 Ca 0.00 -0.28 0.26 0.00 -0.37 0.00 0.00 57.07 56.69 1vhn s TYR 84 Cb 0.00 -1.80 0.76 0.00 -0.40 0.00 0.00 41.96 40.52 1vhn s TYR 84 CO 0.00 0.06 1.57 0.36 -1.57 0.00 0.00 175.55 175.97 1vhn n LYS 85 N 2.96 0.95 -3.61 -0.62 0.00 -1.26 -4.27 118.16 112.31 1vhn n LYS 85 Ca -0.18 -0.57 -0.19 0.00 -0.00 0.00 0.00 58.31 57.38 1vhn n LYS 85 Cb 0.53 -1.49 -0.15 0.00 -0.00 0.00 0.00 35.03 33.92 1vhn n LYS 85 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 1vhn s TRP 86 N -2.44 -0.15 -0.09 5.58 -0.00 -1.26 -0.55 118.94 120.03 1vhn s TRP 86 Ca 0.26 0.37 0.03 0.00 -0.00 0.00 0.00 56.10 56.75 1vhn s TRP 86 Cb 0.19 -0.35 -0.01 0.00 -0.00 0.00 0.00 33.47 33.30 1vhn s TRP 86 CO 0.50 -0.40 -0.18 0.42 -0.00 0.00 0.00 176.95 177.29 1vhn s ILE 87 N 2.28 2.67 0.02 5.86 -1.09 -0.10 -1.56 121.20 129.28 1vhn s ILE 87 Ca 0.04 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 57.71 1vhn s ILE 87 Cb -0.14 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1vhn s ILE 87 CO -0.08 0.56 -0.22 -0.62 -1.23 0.00 0.00 174.94 173.35 1vhn s ASP 88 N -0.02 3.50 -0.24 3.58 -1.08 -0.11 -1.45 116.67 120.84 1vhn s ASP 88 Ca -0.05 -0.45 -0.10 0.00 -0.52 0.00 0.00 52.55 51.43 1vhn s ASP 88 Cb -0.14 -0.50 -0.05 0.00 -1.46 0.00 0.00 42.92 40.77 1vhn s ASP 88 CO 0.05 0.28 0.14 -0.22 0.52 0.00 0.00 175.17 175.94 1vhn s LEU 89 N -1.11 3.99 -0.30 -1.34 2.96 -0.18 -0.75 118.68 121.94 1vhn s LEU 89 Ca 0.12 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.79 1vhn s LEU 89 Cb -0.10 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1vhn s LEU 89 CO 0.02 0.04 1.30 0.21 -1.32 0.00 0.00 176.35 176.61 1vhn s ASN 90 N 1.18 6.67 -0.20 3.68 3.84 -0.34 -1.17 114.94 128.59 1vhn s ASN 90 Ca 0.07 1.20 0.17 0.00 0.21 0.00 0.00 52.86 54.51 1vhn s ASN 90 Cb -0.14 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.48 1vhn s ASN 90 CO 0.05 -1.08 1.16 0.00 -2.79 0.00 0.00 177.10 174.44 1vhn n ALA 91 N 7.63 3.38 0.00 1.71 0.00 0.65 -3.91 120.51 129.96 1vhn n ALA 91 Ca 0.15 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1vhn n ALA 91 Cb 0.47 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1vhn n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhn n GLY 92 N -0.48 0.00 3.55 0.00 0.00 -1.18 -3.98 105.19 103.10 1vhn n GLY 92 Ca 0.19 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.66 1vhn n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhn n PRO 94 N 2.07 1.76 -1.63 0.00 -0.04 -1.26 -0.03 135.00 135.87 1vhn n PRO 94 Ca 0.19 -1.44 -0.53 0.00 -0.04 0.00 0.00 63.50 61.68 1vhn n PRO 94 Cb 0.14 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 1vhn n PRO 94 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vhn n VAL 95 N 0.64 0.10 -0.25 0.52 0.31 -1.26 -4.71 118.33 113.68 1vhn n VAL 95 Ca 0.12 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1vhn n VAL 95 Cb 0.53 -1.00 0.08 0.00 -0.91 0.00 0.00 33.84 32.53 1vhn n VAL 95 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1vhn h ARG 96 N 5.47 -0.02 -0.81 5.55 -0.00 -1.98 -0.32 114.38 122.27 1vhn h ARG 96 Ca -0.47 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 59.53 1vhn h ARG 96 Cb 1.32 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.25 1vhn h ARG 96 CO 0.84 -0.01 0.53 1.57 -0.00 0.00 0.00 179.97 182.89 1vhn h LYS 97 N -0.02 1.01 -0.09 0.08 5.09 -2.00 -0.75 116.57 119.90 1vhn h LYS 97 Ca 0.34 -0.06 -0.05 0.00 0.09 0.00 0.00 60.65 60.97 1vhn h LYS 97 Cb 0.54 -0.23 -0.00 0.00 0.10 0.00 0.00 32.23 32.64 1vhn h LYS 97 CO -0.75 0.67 -0.12 0.28 -2.09 0.00 0.00 179.45 177.44 1vhn h VAL 98 N 1.05 1.38 -0.70 0.07 2.07 -1.48 -3.11 116.25 115.52 1vhn h VAL 98 Ca 0.31 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1vhn h VAL 98 Cb -0.04 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1vhn h VAL 98 CO -0.10 0.38 0.20 0.58 0.02 0.00 0.00 177.57 178.66 1vhn h VAL 99 N -0.20 1.26 -0.23 2.57 2.07 -1.05 -1.33 116.25 119.34 1vhn h VAL 99 Ca 0.01 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1vhn h VAL 99 Cb 0.66 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1vhn h VAL 99 CO 0.03 0.35 0.12 0.11 0.02 0.00 0.00 177.57 178.20 1vhn h LYS 100 N 1.05 0.31 0.00 1.57 1.57 -1.18 0.21 116.57 120.09 1vhn h LYS 100 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1vhn h LYS 100 Cb 0.31 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1vhn h LYS 100 CO -0.01 0.23 0.00 0.39 -0.57 0.00 0.00 179.45 179.50 1vhn n GLU 101 N -4.47 0.06 -0.58 3.15 4.71 -0.98 -4.89 120.64 117.64 1vhn n GLU 101 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1vhn n GLU 101 Cb 0.10 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1vhn n GLU 101 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vhn n GLY 102 N 1.23 0.68 1.84 0.62 0.00 0.73 -4.65 105.19 105.64 1vhn n GLY 102 Ca 0.06 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1vhn n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhn n ALA 103 N -0.27 0.54 -0.81 4.61 0.00 -0.54 -4.09 120.51 119.94 1vhn n ALA 103 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1vhn n ALA 103 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1vhn n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhn n GLY 104 N 1.71 2.98 0.21 0.00 0.00 -1.25 -1.67 105.19 107.16 1vhn n GLY 104 Ca 0.05 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1vhn n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vhn h GLY 105 N 0.00 0.00 2.00 -0.02 0.00 -0.46 -1.17 103.07 103.42 1vhn h GLY 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vhn h GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1vhn h ALA 106 N 2.02 1.00 0.00 3.60 0.00 -1.53 -1.54 119.26 122.82 1vhn h ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vhn h ALA 106 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vhn h ALA 106 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 1vhn h LEU 107 N 0.00 0.00 -0.64 0.00 3.38 -1.35 -2.07 115.31 114.63 1vhn h LEU 107 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vhn h LEU 107 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vhn h LEU 107 CO 0.00 0.00 -0.13 0.18 0.09 0.00 0.00 178.44 178.58 1vhn n LEU 108 N -2.51 1.12 0.00 1.67 4.77 -0.58 -4.03 117.00 117.45 1vhn n LEU 108 Ca -0.00 -0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 55.64 1vhn n LEU 108 Cb 0.14 -0.08 0.23 0.00 -2.33 0.00 0.00 43.42 41.39 1vhn n LEU 108 CO 0.17 0.20 0.82 0.11 -1.33 0.00 0.00 177.39 177.36 1vhn h LYS 109 N 1.56 0.51 -3.70 3.23 1.57 -1.53 -3.39 116.57 114.82 1vhn h LYS 109 Ca 0.00 -0.16 -0.59 0.00 -1.87 0.00 0.00 60.65 58.03 1vhn h LYS 109 Cb 0.47 -0.05 -0.40 0.00 0.08 0.00 0.00 32.23 32.33 1vhn h LYS 109 CO 0.00 0.65 -0.75 0.34 -0.57 0.00 0.00 179.45 179.12 1vhn s ASP 110 N -6.77 4.07 0.28 0.86 -1.08 -1.26 -5.00 116.67 107.77 1vhn s ASP 110 Ca -0.07 -1.66 0.24 0.00 -0.52 0.00 0.00 52.55 50.54 1vhn s ASP 110 Cb 0.14 -0.95 1.01 0.00 -1.46 0.00 0.00 42.92 41.66 1vhn s ASP 110 CO 0.78 -0.40 1.72 0.18 0.52 0.00 0.00 175.17 177.97 1vhn n LEU 111 N 4.78 0.70 0.01 -1.34 4.77 -1.26 -0.88 117.00 123.79 1vhn n LEU 111 Ca -0.02 0.68 -0.19 0.00 -0.03 0.00 0.00 56.01 56.45 1vhn n LEU 111 Cb 0.42 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1vhn n LEU 111 CO 0.13 -0.59 0.17 0.03 -1.33 0.00 0.00 177.39 175.79 1vhn h ARG 112 N 0.00 0.72 -0.10 3.23 3.08 -1.94 -1.71 114.38 117.66 1vhn h ARG 112 Ca 0.00 -0.70 -0.14 0.00 0.07 0.00 0.00 59.98 59.21 1vhn h ARG 112 Cb 0.36 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1vhn h ARG 112 CO 0.00 1.28 -0.57 1.25 -1.07 0.00 0.00 179.97 180.87 1vhn h HIS 113 N 0.42 0.38 -0.43 3.04 2.76 -1.76 -2.18 115.15 117.39 1vhn h HIS 113 Ca -0.10 -0.14 -0.03 0.00 -2.20 0.00 0.00 60.37 57.90 1vhn h HIS 113 Cb 1.55 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.42 1vhn h HIS 113 CO 0.10 0.80 0.15 0.35 -1.30 0.00 0.00 177.93 178.03 1vhn h PHE 114 N 0.23 0.68 -0.63 5.26 3.57 -0.95 -1.00 116.94 124.10 1vhn h PHE 114 Ca -0.00 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1vhn h PHE 114 Cb 1.07 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1vhn h PHE 114 CO 0.03 0.61 0.40 -0.09 -2.23 0.00 0.00 178.31 177.02 1vhn h ARG 115 N 0.55 0.77 -0.19 1.11 2.43 -1.11 -0.11 114.38 117.84 1vhn h ARG 115 Ca 0.14 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1vhn h ARG 115 Cb 0.24 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1vhn h ARG 115 CO -0.01 0.51 -0.07 -0.92 -1.51 0.00 0.00 179.97 177.97 1vhn h TYR 116 N 0.80 -0.17 -0.46 2.20 3.20 -1.03 0.11 116.97 121.62 1vhn h TYR 116 Ca 0.24 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 1vhn h TYR 116 Cb -0.02 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1vhn h TYR 116 CO -0.04 -0.12 0.28 0.82 -1.64 0.00 0.00 178.16 177.45 1vhn h ILE 117 N -0.05 1.14 -0.59 1.81 2.04 -0.76 -0.99 117.51 120.12 1vhn h ILE 117 Ca 0.10 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1vhn h ILE 117 Cb 0.19 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1vhn h ILE 117 CO -0.22 0.14 0.04 0.58 0.00 0.00 0.00 178.15 178.70 1vhn h VAL 118 N 0.61 1.26 -0.33 1.67 2.07 -0.69 0.02 116.25 120.86 1vhn h VAL 118 Ca 0.16 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1vhn h VAL 118 Cb -0.01 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1vhn h VAL 118 CO -0.03 0.39 0.12 -0.09 0.02 0.00 0.00 177.57 177.98 1vhn h ARG 119 N 0.91 0.50 -0.57 1.57 2.43 -0.52 -0.49 114.38 118.20 1vhn h ARG 119 Ca 0.17 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1vhn h ARG 119 Cb 0.50 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1vhn h ARG 119 CO 0.02 0.52 -0.02 0.93 -1.51 0.00 0.00 179.97 179.91 1vhn h GLU 120 N 0.38 1.00 -0.44 0.20 4.39 -0.98 -2.81 114.58 116.31 1vhn h GLU 120 Ca 0.11 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.41 1vhn h GLU 120 Cb 0.21 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1vhn h GLU 120 CO -0.01 0.99 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.68 1vhn h LEU 121 N 0.91 0.76 -0.86 1.33 3.38 -0.79 -2.77 115.31 117.28 1vhn h LEU 121 Ca 0.16 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1vhn h LEU 121 Cb 0.55 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1vhn h LEU 121 CO 0.03 0.88 0.54 -0.09 0.09 0.00 0.00 178.44 179.90 1vhn h ARG 122 N 0.71 0.99 -0.09 1.13 9.65 -0.84 0.51 114.38 126.44 1vhn h ARG 122 Ca 0.12 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 1vhn h ARG 122 Cb 0.56 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1vhn h ARG 122 CO 0.03 0.65 -0.18 0.87 2.80 0.00 0.00 179.97 184.15 1vhn h LYS 123 N 1.02 0.15 0.00 0.20 1.57 -1.30 -3.07 116.57 115.13 1vhn h LYS 123 Ca 0.36 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1vhn h LYS 123 Cb 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1vhn h LYS 123 CO -0.15 0.33 -0.82 0.43 -0.57 0.00 0.00 179.45 178.67 1vhn n SER 124 N -4.26 0.72 -4.53 0.86 7.64 -0.16 -4.76 113.62 109.13 1vhn n SER 124 Ca -0.01 0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 1vhn n SER 124 Cb 0.28 0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.79 1vhn n SER 124 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1vhn s VAL 125 N -3.23 4.93 0.21 0.44 1.01 -0.01 -3.42 120.40 120.32 1vhn s VAL 125 Ca 0.04 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.31 1vhn s VAL 125 Cb 0.12 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1vhn s VAL 125 CO 0.76 -0.41 1.50 0.77 0.00 0.00 0.00 175.10 177.71 1vhn h SER 126 N 8.66 0.00 0.00 3.32 4.64 -1.85 -3.46 113.55 124.86 1vhn h SER 126 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vhn h SER 126 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1vhn h SER 126 CO 0.83 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 178.14 1vhn n GLY 127 N 0.65 0.74 3.70 -0.77 0.00 -1.26 -5.03 105.19 103.22 1vhn n GLY 127 Ca -0.01 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1vhn n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vhn s LYS 128 N 3.80 4.44 -0.19 1.61 2.20 0.29 -4.98 119.74 126.91 1vhn s LYS 128 Ca 0.00 1.14 -0.01 0.00 -0.36 0.00 0.00 55.97 56.74 1vhn s LYS 128 Cb 0.00 -3.49 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1vhn s LYS 128 CO 0.00 -0.11 -0.14 0.12 -0.36 0.00 0.00 175.35 174.86 1vhn s PHE 129 N 1.33 2.85 0.35 4.03 5.36 -1.26 -0.93 117.98 129.71 1vhn s PHE 129 Ca 0.43 -1.33 0.08 0.00 -0.96 0.00 0.00 56.93 55.16 1vhn s PHE 129 Cb -0.19 -1.99 -0.07 0.00 -0.34 0.00 0.00 43.02 40.44 1vhn s PHE 129 CO 0.20 -0.68 -0.06 -1.54 -1.46 0.00 0.00 175.22 171.67 1vhn s SER 130 N 1.32 3.57 -0.03 6.13 1.04 -0.53 -0.38 113.70 124.82 1vhn s SER 130 Ca 0.04 -1.24 0.02 0.00 0.48 0.00 0.00 55.95 55.26 1vhn s SER 130 Cb -0.14 -0.32 0.01 0.00 0.10 0.00 0.00 66.02 65.67 1vhn s SER 130 CO -0.08 -0.29 -0.07 -0.69 0.98 0.00 0.00 173.24 173.09 1vhn s VAL 131 N -2.71 0.67 -0.18 5.02 1.01 -0.98 -1.02 120.40 122.21 1vhn s VAL 131 Ca 0.33 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1vhn s VAL 131 Cb 0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1vhn s VAL 131 CO 0.16 0.22 -0.06 -0.75 0.00 0.00 0.00 175.10 174.67 1vhn s LYS 132 N 0.34 3.45 0.00 2.72 2.20 -0.31 -1.26 119.74 126.87 1vhn s LYS 132 Ca -0.05 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 1vhn s LYS 132 Cb -0.09 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1vhn s LYS 132 CO 0.00 0.01 0.00 -2.37 -0.36 0.00 0.00 175.35 172.63 1vhn n THR 133 N 4.18 0.00 -4.39 3.43 5.66 0.22 -0.26 114.28 123.13 1vhn n THR 133 Ca -0.18 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.64 1vhn n THR 133 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1vhn n THR 133 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1vhn n ARG 134 N 0.00 0.87 0.27 1.09 1.74 -1.26 -1.25 116.66 118.12 1vhn n ARG 134 Ca 0.00 -2.34 0.16 0.00 -0.77 0.00 0.00 57.85 54.90 1vhn n ARG 134 Cb 0.00 1.04 0.60 0.00 -1.02 0.00 0.00 32.46 33.08 1vhn n ARG 134 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1vhn h LEU 135 N 0.00 0.00 0.00 0.55 3.38 -1.22 -3.46 115.31 114.56 1vhn h LEU 135 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1vhn h LEU 135 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1vhn h LEU 135 CO 0.38 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1vhn n GLY 136 N 0.18 1.53 0.33 0.83 0.00 -1.25 -0.36 105.19 106.46 1vhn n GLY 136 Ca 0.01 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1vhn n GLY 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1vhn h TRP 137 N 0.00 -0.74 0.00 1.61 2.91 -1.87 0.32 115.95 118.18 1vhn h TRP 137 Ca 0.00 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1vhn h TRP 137 Cb 0.00 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1vhn h TRP 137 CO 0.00 -0.46 0.00 -0.85 -1.03 0.00 0.00 178.44 176.10 1vhn n GLU 138 N -5.13 2.98 -4.06 2.65 0.28 -1.26 -1.44 120.64 114.67 1vhn n GLU 138 Ca -0.10 -0.10 -0.09 0.00 -0.16 0.00 0.00 57.16 56.70 1vhn n GLU 138 Cb 0.31 -0.49 -0.09 0.00 1.43 0.00 0.00 31.44 32.61 1vhn n GLU 138 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1vhn s LYS 139 N -0.46 0.99 -0.37 3.44 -2.85 -1.26 -4.94 119.74 114.30 1vhn s LYS 139 Ca 0.00 -1.30 -0.29 0.00 -1.00 0.00 0.00 55.97 53.39 1vhn s LYS 139 Cb 0.00 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1vhn s LYS 139 CO 0.00 -0.31 1.49 1.21 0.10 0.00 0.00 175.35 177.84 1vhn s ASN 140 N -3.00 6.28 -0.15 0.03 3.84 -1.26 -3.82 114.94 116.86 1vhn s ASN 140 Ca 0.19 1.02 0.16 0.00 0.21 0.00 0.00 52.86 54.44 1vhn s ASN 140 Cb 0.06 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.65 1vhn s ASN 140 CO -0.00 -1.44 1.20 -0.62 -2.79 0.00 0.00 177.10 173.45 1vhn n GLU 141 N 8.04 1.17 0.06 0.43 1.02 0.51 -4.88 120.64 127.00 1vhn n GLU 141 Ca 0.18 -2.94 0.01 0.00 -0.02 0.00 0.00 57.16 54.39 1vhn n GLU 141 Cb 0.47 -1.14 0.35 0.00 -0.02 0.00 0.00 31.44 31.10 1vhn n GLU 141 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1vhn h VAL 142 N 2.96 1.18 -0.66 2.62 3.04 -1.55 -1.17 116.25 122.67 1vhn h VAL 142 Ca -0.06 -0.76 -0.06 0.00 -1.01 0.00 0.00 66.70 64.81 1vhn h VAL 142 Cb 1.30 1.07 -0.03 0.00 -2.01 0.00 0.00 31.29 31.62 1vhn h VAL 142 CO 0.06 0.25 0.16 -0.33 -1.01 0.00 0.00 177.57 176.69 1vhn h GLU 143 N 0.36 1.04 -0.26 4.17 5.08 -1.90 0.12 114.58 123.19 1vhn h GLU 143 Ca 0.08 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1vhn h GLU 143 Cb 0.34 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1vhn h GLU 143 CO 0.02 0.92 -0.26 1.49 -1.00 0.00 0.00 179.01 180.17 1vhn h GLU 144 N 0.99 0.64 -0.48 2.33 4.81 -1.85 -0.43 114.58 120.59 1vhn h GLU 144 Ca 0.21 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1vhn h GLU 144 Cb 0.35 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1vhn h GLU 144 CO 0.00 0.94 0.21 0.82 -0.73 0.00 0.00 179.01 180.26 1vhn h ILE 145 N 0.36 1.20 -0.75 2.32 2.04 -1.01 -1.15 117.51 120.52 1vhn h ILE 145 Ca 0.04 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1vhn h ILE 145 Cb 0.83 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1vhn h ILE 145 CO 0.07 0.23 0.25 0.22 0.00 0.00 0.00 178.15 178.91 1vhn h TYR 146 N 0.64 1.19 -0.77 1.37 3.20 -0.66 -2.04 116.97 119.91 1vhn h TYR 146 Ca 0.16 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1vhn h TYR 146 Cb 0.16 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.05 1vhn h TYR 146 CO -0.00 0.93 0.38 -0.09 -1.64 0.00 0.00 178.16 177.74 1vhn h ARG 147 N 1.11 1.10 0.04 1.82 2.43 -0.65 -0.36 114.38 119.88 1vhn h ARG 147 Ca 0.24 -0.16 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1vhn h ARG 147 Cb 0.29 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1vhn h ARG 147 CO -0.01 0.85 -0.08 0.82 -1.51 0.00 0.00 179.97 180.04 1vhn h ILE 148 N 1.08 0.80 -0.18 1.20 2.04 -0.73 0.47 117.51 122.19 1vhn h ILE 148 Ca 0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.14 1vhn h ILE 148 Cb 0.11 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1vhn h ILE 148 CO -0.03 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.10 1vhn h LEU 149 N -0.16 0.06 -0.28 1.44 3.38 -0.91 -0.74 115.31 118.10 1vhn h LEU 149 Ca 0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1vhn h LEU 149 Cb 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1vhn h LEU 149 CO -0.05 0.06 0.16 0.58 0.09 0.00 0.00 178.44 179.28 1vhn h VAL 150 N 0.14 1.12 -0.38 1.22 2.07 -0.94 -1.15 116.25 118.33 1vhn h VAL 150 Ca 0.08 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1vhn h VAL 150 Cb 0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1vhn h VAL 150 CO -0.08 0.11 0.07 -0.33 0.02 0.00 0.00 177.57 177.37 1vhn h GLU 151 N 0.34 0.56 -0.12 1.57 5.08 -0.73 -2.24 114.58 119.05 1vhn h GLU 151 Ca 0.10 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vhn h GLU 151 Cb 0.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1vhn h GLU 151 CO -0.02 0.53 0.00 0.39 -1.00 0.00 0.00 179.01 178.91 1vhn n GLU 152 N -4.32 1.43 -0.79 2.33 -0.58 -0.30 -4.92 120.64 113.50 1vhn n GLU 152 Ca 0.02 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.10 1vhn n GLU 152 Cb 0.20 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1vhn n GLU 152 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vhn n GLY 153 N 0.96 0.51 3.77 0.62 0.00 -0.84 -4.81 105.19 105.40 1vhn n GLY 153 Ca 0.14 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1vhn n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhn s VAL 154 N -2.00 2.57 -0.00 1.61 1.01 -0.45 -4.93 120.40 118.21 1vhn s VAL 154 Ca 0.00 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1vhn s VAL 154 Cb 0.00 -3.32 -0.28 0.00 0.00 0.00 0.00 36.38 32.78 1vhn s VAL 154 CO 0.00 0.09 0.84 0.44 0.00 0.00 0.00 175.10 176.47 1vhn h ASP 155 N 2.81 0.42 -5.02 3.32 3.32 -1.04 -3.44 116.42 116.78 1vhn h ASP 155 Ca -0.50 -0.59 -0.11 0.00 0.02 0.00 0.00 57.03 55.86 1vhn h ASP 155 Cb 1.24 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.47 1vhn h ASP 155 CO 0.63 1.49 -0.29 -1.61 -1.72 0.00 0.00 179.24 177.74 1vhn s GLU 156 N -2.61 0.71 -0.01 3.56 2.02 -1.22 -4.09 118.70 117.06 1vhn s GLU 156 Ca -0.10 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1vhn s GLU 156 Cb 0.07 0.31 -0.00 0.00 0.10 0.00 0.00 34.13 34.60 1vhn s GLU 156 CO 0.85 -0.21 -0.07 0.08 0.02 0.00 0.00 175.26 175.93 1vhn s VAL 157 N -1.96 0.59 -0.18 2.63 1.01 -0.75 -2.31 120.40 119.43 1vhn s VAL 157 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1vhn s VAL 157 Cb -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1vhn s VAL 157 CO 0.00 0.18 -0.17 -0.36 0.00 0.00 0.00 175.10 174.75 1vhn s PHE 158 N 0.01 2.79 -0.16 5.22 0.08 -0.39 -0.56 117.98 124.98 1vhn s PHE 158 Ca 0.00 -1.42 0.00 0.00 0.12 0.00 0.00 56.93 55.64 1vhn s PHE 158 Cb -0.05 -1.93 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1vhn s PHE 158 CO -0.00 -0.70 -0.15 0.42 -0.10 0.00 0.00 175.22 174.69 1vhn s ILE 159 N 1.19 1.65 -0.27 0.64 1.01 0.22 -0.61 121.20 125.03 1vhn s ILE 159 Ca 0.02 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 1vhn s ILE 159 Cb -0.14 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1vhn s ILE 159 CO -0.08 0.44 0.93 -2.28 0.00 0.00 0.00 174.94 173.95 1vhn s HIS 160 N 1.45 3.26 -1.60 3.97 5.65 -0.38 -1.29 115.29 126.35 1vhn s HIS 160 Ca 0.04 1.16 -0.10 0.00 0.25 0.00 0.00 55.06 56.41 1vhn s HIS 160 Cb -0.13 -3.29 -0.07 0.00 -1.18 0.00 0.00 32.58 27.91 1vhn s HIS 160 CO -0.11 -0.54 2.88 0.25 -0.65 0.00 0.00 174.74 176.57 1vhn n THR 161 N 5.47 4.27 -3.99 0.89 -2.24 -0.76 -3.67 114.28 114.26 1vhn n THR 161 Ca 0.08 -2.68 -0.08 0.00 -2.27 0.00 0.00 64.05 59.10 1vhn n THR 161 Cb 0.47 -2.60 -0.09 0.00 -2.10 0.00 0.00 70.33 66.01 1vhn n THR 161 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1vhn s ARG 162 N 2.16 0.62 0.66 -0.78 0.52 -1.26 -0.65 118.95 120.21 1vhn s ARG 162 Ca 0.67 -0.98 -0.09 0.00 -0.52 0.00 0.00 55.73 54.81 1vhn s ARG 162 Cb 0.18 0.23 0.01 0.00 0.52 0.00 0.00 34.95 35.89 1vhn s ARG 162 CO -0.06 -0.14 1.02 0.95 0.02 0.00 0.00 175.30 177.08 1vhn s THR 163 N -3.29 3.62 0.24 0.02 -4.23 -1.26 -1.18 115.64 109.56 1vhn s THR 163 Ca 0.01 0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1vhn s THR 163 Cb 0.03 -3.49 0.13 0.00 1.34 0.00 0.00 72.50 70.51 1vhn s THR 163 CO -0.08 -0.59 1.76 0.58 -0.54 0.00 0.00 174.62 175.76 1vhn h VAL 164 N -0.45 1.25 0.00 2.29 2.07 -0.54 -2.91 116.25 117.95 1vhn h VAL 164 Ca -0.45 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1vhn h VAL 164 Cb 1.25 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1vhn h VAL 164 CO 0.63 0.35 -0.20 -0.37 0.02 0.00 0.00 177.57 177.99 1vhn h VAL 165 N 0.92 1.00 0.00 2.57 -1.51 -1.50 -1.25 116.25 116.48 1vhn h VAL 165 Ca 0.19 -0.71 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1vhn h VAL 165 Cb 0.36 1.40 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1vhn h VAL 165 CO 0.00 0.19 -0.11 1.56 -1.23 0.00 0.00 177.57 177.99 1vhn h GLN 166 N 0.00 0.00 0.00 5.19 4.20 -1.80 -3.47 115.11 119.23 1vhn h GLN 166 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1vhn h GLN 166 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1vhn h GLN 166 CO 0.03 0.11 0.00 0.45 -0.67 0.00 0.00 178.83 178.74 1vhn n SER 167 N -3.36 0.00 -0.87 1.46 2.88 -0.47 -0.87 113.62 112.40 1vhn n SER 167 Ca -0.01 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.61 1vhn n SER 167 Cb 0.30 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.99 1vhn n SER 167 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1vhn n PHE 168 N 11.51 0.83 -2.45 0.66 3.01 -1.26 -4.94 117.46 124.82 1vhn n PHE 168 Ca 0.00 -0.73 -0.24 0.00 1.01 0.00 0.00 57.45 57.50 1vhn n PHE 168 Cb 0.00 -0.21 0.05 0.00 -0.01 0.00 0.00 39.48 39.30 1vhn n PHE 168 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1vhn s THR 169 N -2.13 2.73 0.00 4.37 -4.23 -0.05 -4.93 115.64 111.41 1vhn s THR 169 Ca 0.36 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1vhn s THR 169 Cb 0.26 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1vhn s THR 169 CO 0.12 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1vhn n GLY 170 N -2.59 -0.69 3.41 3.99 0.00 -1.26 -4.88 105.19 103.17 1vhn n GLY 170 Ca 0.07 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 1vhn n GLY 170 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vhn s ARG 171 N 0.00 1.50 -0.15 1.61 1.70 -1.26 -5.08 118.95 117.27 1vhn s ARG 171 Ca 0.00 -1.63 -0.29 0.00 -0.47 0.00 0.00 55.73 53.33 1vhn s ARG 171 Cb 0.00 -1.54 -0.03 0.00 -0.57 0.00 0.00 34.95 32.81 1vhn s ARG 171 CO 0.00 0.29 1.50 0.00 -1.08 0.00 0.00 175.30 176.01 1vhn s ALA 172 N -2.44 3.52 -1.20 7.88 0.00 -1.26 -4.77 121.76 123.49 1vhn s ALA 172 Ca 0.25 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 1vhn s ALA 172 Cb -0.04 -3.74 0.21 0.00 0.00 0.00 0.00 23.12 19.54 1vhn s ALA 172 CO 0.11 -1.51 1.48 -1.91 0.00 0.00 0.00 175.76 173.92 1vhn n GLU 173 N 7.14 3.57 -0.32 0.00 4.07 0.17 -4.85 120.64 130.42 1vhn n GLU 173 Ca 0.16 -3.97 0.14 0.00 -0.06 0.00 0.00 57.16 53.44 1vhn n GLU 173 Cb 0.44 -2.87 0.37 0.00 -0.06 0.00 0.00 31.44 29.33 1vhn n GLU 173 CO 0.00 0.00 0.00 -1.49 -0.06 0.00 0.00 177.13 175.58 1vhn h TRP 174 N 6.56 0.91 0.00 4.31 6.55 -1.91 -1.07 115.95 131.29 1vhn h TRP 174 Ca 0.30 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.17 1vhn h TRP 174 Cb 0.79 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.81 1vhn h TRP 174 CO 1.06 0.25 0.00 1.17 -1.05 0.00 0.00 178.44 179.86 1vhn n LYS 175 N -4.65 0.16 0.29 0.49 3.00 -1.26 -2.31 118.16 113.88 1vhn n LYS 175 Ca 0.21 0.51 0.14 0.00 -0.00 0.00 0.00 58.31 59.17 1vhn n LYS 175 Cb 0.57 -1.88 0.86 0.00 0.00 0.00 0.00 35.03 34.58 1vhn n LYS 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vhn h ALA 176 N 2.16 1.59 -0.01 3.14 0.00 -1.49 -0.63 119.26 124.02 1vhn h ALA 176 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vhn h ALA 176 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vhn h ALA 176 CO 0.00 0.01 -0.15 1.28 0.00 0.00 0.00 179.25 180.40 1vhn n LEU 177 N -3.95 0.71 0.23 0.00 4.77 -0.98 -3.99 117.00 113.80 1vhn n LEU 177 Ca -0.03 -0.12 0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1vhn n LEU 177 Cb 0.09 -0.15 0.54 0.00 -2.33 0.00 0.00 43.42 41.58 1vhn n LEU 177 CO 0.29 0.13 0.85 -1.28 -1.33 0.00 0.00 177.39 176.04 1vhn h SER 178 N 0.89 0.00 1.01 -1.43 0.87 -1.06 -2.04 113.55 111.78 1vhn h SER 178 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1vhn h SER 178 Cb 0.41 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1vhn h SER 178 CO 0.00 0.23 -0.02 -0.37 -0.53 0.00 0.00 176.83 176.14 1vhn h VAL 179 N 0.00 0.06 -3.43 2.23 -1.51 -1.75 -3.44 116.25 108.41 1vhn h VAL 179 Ca -0.00 -0.57 -0.53 0.00 -1.23 0.00 0.00 66.70 64.37 1vhn h VAL 179 Cb 0.54 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1vhn h VAL 179 CO 0.03 0.02 0.45 -0.76 -1.23 0.00 0.00 177.57 176.08 1vhn s LEU 180 N -6.26 4.43 -0.47 4.19 1.43 -0.77 -4.99 118.68 116.25 1vhn s LEU 180 Ca 0.01 1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 54.77 1vhn s LEU 180 Cb 0.09 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.75 1vhn s LEU 180 CO 0.55 -0.27 0.94 -0.70 0.23 0.00 0.00 176.35 177.10 1vhn s GLU 181 N 0.41 3.53 -1.18 1.70 2.12 -1.26 -4.95 118.70 119.07 1vhn s GLU 181 Ca 0.52 0.17 -0.22 0.00 0.36 0.00 0.00 54.97 55.80 1vhn s GLU 181 Cb -0.26 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.17 1vhn s GLU 181 CO 0.31 -1.24 1.85 0.15 -0.54 0.00 0.00 175.26 175.79 1vhn s LYS 182 N 3.80 2.97 0.41 4.30 -0.14 -1.26 -4.74 119.74 125.09 1vhn s LYS 182 Ca 0.37 -1.31 0.27 0.00 -1.36 0.00 0.00 55.97 53.95 1vhn s LYS 182 Cb -0.10 -5.31 0.85 0.00 -1.68 0.00 0.00 37.83 31.59 1vhn s LYS 182 CO 0.27 -3.35 1.78 0.00 -0.76 0.00 0.00 175.35 173.28 1vhn h ARG 183 N 9.29 0.00 -5.08 1.68 -0.00 -2.01 -3.44 114.38 114.83 1vhn h ARG 183 Ca 0.27 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.40 1vhn h ARG 183 Cb 0.93 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 30.76 1vhn h ARG 183 CO 1.30 0.00 -0.69 0.96 0.00 0.00 0.00 179.97 181.54 1vhn s ILE 184 N -3.36 1.12 0.08 2.04 -4.36 -1.26 -5.09 121.20 110.36 1vhn s ILE 184 Ca 0.05 -2.05 -0.33 0.00 -0.26 0.00 0.00 60.65 58.06 1vhn s ILE 184 Cb 0.08 -2.04 -0.13 0.00 1.25 0.00 0.00 42.46 41.63 1vhn s ILE 184 CO 0.58 -0.58 1.72 -2.65 0.24 0.00 0.00 174.94 174.24 1vhn n PRO 185 N -0.28 2.30 -4.32 0.37 -0.02 -1.26 -4.88 135.00 126.91 1vhn n PRO 185 Ca -0.08 0.83 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 1vhn n PRO 185 Cb 0.62 -2.65 -0.17 0.00 -0.02 0.00 0.00 33.50 31.28 1vhn n PRO 185 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1vhn s THR 186 N 2.18 0.93 0.01 3.45 2.01 -1.26 -1.81 115.64 121.15 1vhn s THR 186 Ca 0.83 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1vhn s THR 186 Cb -0.64 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1vhn s THR 186 CO 0.42 0.32 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.11 1vhn s PHE 187 N 0.97 2.52 0.02 4.92 0.40 0.28 -1.12 117.98 125.96 1vhn s PHE 187 Ca -0.09 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1vhn s PHE 187 Cb -0.15 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1vhn s PHE 187 CO 0.00 0.16 0.22 0.54 0.70 0.00 0.00 175.22 176.85 1vhn s VAL 188 N -0.80 5.38 0.02 -0.44 0.11 -0.83 -0.61 120.40 123.22 1vhn s VAL 188 Ca 0.13 -0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1vhn s VAL 188 Cb -0.10 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1vhn s VAL 188 CO 0.02 0.27 0.16 -0.55 -3.33 0.00 0.00 175.10 171.68 1vhn s SER 189 N -2.04 0.03 0.00 3.54 0.15 -0.41 -1.33 113.70 113.64 1vhn s SER 189 Ca 0.30 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1vhn s SER 189 Cb -0.13 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1vhn s SER 189 CO 0.21 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1vhn n GLY 190 N 1.12 3.70 3.36 9.45 0.00 -1.26 -1.82 105.19 119.73 1vhn n GLY 190 Ca -0.21 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 1vhn n GLY 190 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vhn n ASP 191 N 0.00 -4.84 -4.32 1.61 8.00 -1.26 -4.79 116.55 110.95 1vhn n ASP 191 Ca 0.00 -0.43 -0.46 0.00 0.71 0.00 0.00 54.79 54.60 1vhn n ASP 191 Cb 0.00 -3.93 -0.03 0.00 -0.02 0.00 0.00 41.12 37.13 1vhn n ASP 191 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vhn s ILE 192 N -3.10 5.41 -0.03 0.53 -1.09 -1.26 -4.80 121.20 116.85 1vhn s ILE 192 Ca 0.43 -2.02 0.12 0.00 -2.23 0.00 0.00 60.65 56.95 1vhn s ILE 192 Cb -0.21 -4.40 -0.18 0.00 -1.58 0.00 0.00 42.46 36.09 1vhn s ILE 192 CO 0.53 -0.95 0.23 0.49 -1.23 0.00 0.00 174.94 174.00 1vhn n PHE 193 N 4.57 0.00 -4.29 3.97 3.01 -1.26 -3.83 117.46 119.63 1vhn n PHE 193 Ca 0.01 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.31 1vhn n PHE 193 Cb 0.44 -0.33 -0.10 0.00 -0.01 0.00 0.00 39.48 39.47 1vhn n PHE 193 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1vhn s THR 194 N -2.75 0.42 0.36 4.37 -4.23 -1.26 -4.88 115.64 107.66 1vhn s THR 194 Ca -0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1vhn s THR 194 Cb 0.07 -2.60 0.23 0.00 1.34 0.00 0.00 72.50 71.54 1vhn s THR 194 CO 0.51 0.00 1.98 -0.65 -0.54 0.00 0.00 174.62 175.92 1vhn h PRO 195 N 2.43 0.69 -0.91 3.99 0.11 -1.91 -1.40 132.00 135.00 1vhn h PRO 195 Ca -0.38 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1vhn h PRO 195 Cb 1.25 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1vhn h PRO 195 CO 0.59 0.51 0.51 0.93 -0.21 0.00 0.00 178.00 180.34 1vhn h GLU 196 N 0.69 1.25 -0.66 1.05 3.07 -1.96 -0.74 114.58 117.28 1vhn h GLU 196 Ca 0.18 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1vhn h GLU 196 Cb 0.04 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 27.67 1vhn h GLU 196 CO -0.03 0.90 0.24 -0.44 -1.40 0.00 0.00 179.01 178.28 1vhn h ASP 197 N 1.26 0.94 -0.49 1.42 3.32 -1.69 -2.07 116.42 119.11 1vhn h ASP 197 Ca 0.32 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1vhn h ASP 197 Cb -0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1vhn h ASP 197 CO -0.05 0.87 0.30 0.00 -1.72 0.00 0.00 179.24 178.64 1vhn h ALA 198 N 1.10 0.62 -0.57 3.45 0.00 -0.72 0.50 119.26 123.64 1vhn h ALA 198 Ca 0.22 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1vhn h ALA 198 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1vhn h ALA 198 CO -0.01 0.10 0.05 -0.22 0.00 0.00 0.00 179.25 179.17 1vhn h LYS 199 N 0.65 0.96 -0.40 0.00 3.64 -1.03 -1.65 116.57 118.75 1vhn h LYS 199 Ca 0.18 -0.28 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 1vhn h LYS 199 Cb -0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1vhn h LYS 199 CO -0.03 0.94 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.67 1vhn h ARG 200 N 0.85 0.90 -0.67 1.90 2.43 -1.11 -1.21 114.38 117.47 1vhn h ARG 200 Ca 0.17 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 1vhn h ARG 200 Cb 0.47 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1vhn h ARG 200 CO 0.02 1.09 0.31 0.00 -1.51 0.00 0.00 179.97 179.88 1vhn h ALA 201 N 0.87 0.87 -0.38 2.80 0.00 -0.76 0.90 119.26 123.56 1vhn h ALA 201 Ca 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1vhn h ALA 201 Cb 0.89 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1vhn h ALA 201 CO 0.08 0.45 0.12 -0.07 0.00 0.00 0.00 179.25 179.82 1vhn h LEU 202 N 0.94 0.56 -0.54 0.00 3.38 -1.10 -0.48 115.31 118.07 1vhn h LEU 202 Ca 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1vhn h LEU 202 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1vhn h LEU 202 CO -0.03 0.62 0.16 -0.33 0.09 0.00 0.00 178.44 178.96 1vhn h GLU 203 N 0.47 0.84 0.01 1.13 5.08 -0.76 -0.28 114.58 121.07 1vhn h GLU 203 Ca 0.12 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 1vhn h GLU 203 Cb 0.27 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1vhn h GLU 203 CO -0.00 0.78 -0.93 0.93 -1.00 0.00 0.00 179.01 178.78 1vhn h GLU 204 N 0.75 0.27 0.00 2.33 5.08 -0.80 -3.29 114.58 118.92 1vhn h GLU 204 Ca 0.17 -0.31 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 1vhn h GLU 204 Cb 0.29 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1vhn h GLU 204 CO -0.00 1.03 -1.06 0.66 -1.00 0.00 0.00 179.01 178.63 1vhn h SER 205 N 0.15 0.00 -0.38 1.42 4.64 -1.04 -3.37 113.55 114.96 1vhn h SER 205 Ca -0.06 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1vhn h SER 205 Cb 1.57 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.61 1vhn h SER 205 CO 0.15 0.60 -0.13 0.61 -0.87 0.00 0.00 176.83 177.20 1vhn n GLY 206 N 1.34 0.80 3.88 -0.77 0.00 -0.12 -3.19 105.19 107.13 1vhn n GLY 206 Ca -0.05 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1vhn n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhn n ASP 208 N -3.06 0.50 0.00 0.00 8.00 -0.28 -4.96 116.55 116.76 1vhn n ASP 208 Ca 0.07 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1vhn n ASP 208 Cb 0.57 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1vhn n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vhn n GLY 209 N 1.32 -1.54 3.42 0.44 0.00 -1.24 -2.82 105.19 104.77 1vhn n GLY 209 Ca 0.13 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1vhn n GLY 209 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1vhn s LEU 210 N 0.00 0.71 0.06 0.99 2.34 -0.66 -1.96 118.68 120.16 1vhn s LEU 210 Ca 0.00 -0.90 0.07 0.00 0.06 0.00 0.00 54.13 53.36 1vhn s LEU 210 Cb 0.00 1.37 -0.03 0.00 -0.56 0.00 0.00 46.19 46.97 1vhn s LEU 210 CO 0.00 -0.98 -0.15 -0.76 -1.06 0.00 0.00 176.35 173.40 1vhn s LEU 211 N -2.99 2.77 -0.11 1.48 1.43 -0.44 -1.46 118.68 119.36 1vhn s LEU 211 Ca 0.20 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1vhn s LEU 211 Cb 0.02 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1vhn s LEU 211 CO 0.04 0.23 -0.11 -0.69 0.23 0.00 0.00 176.35 176.05 1vhn s VAL 212 N -1.02 3.27 0.00 -1.59 1.01 -0.20 -4.61 120.40 117.26 1vhn s VAL 212 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1vhn s VAL 212 Cb -0.11 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1vhn s VAL 212 CO 0.08 0.54 0.00 0.00 0.00 0.00 0.00 175.10 175.72 1vhn n ALA 213 N 3.13 0.44 0.01 5.51 0.00 -1.26 -0.90 120.51 127.43 1vhn n ALA 213 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.35 1vhn n ALA 213 Cb 0.53 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.49 1vhn n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhn h ARG 214 N 0.00 0.35 0.00 0.00 3.08 -1.97 -0.23 114.38 115.61 1vhn h ARG 214 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1vhn h ARG 214 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1vhn h ARG 214 CO 0.00 0.23 0.00 0.78 -1.07 0.00 0.00 179.97 179.91 1vhn h GLY 215 N 0.37 0.00 -0.53 0.04 0.00 -1.90 -2.84 103.07 98.21 1vhn h GLY 215 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1vhn h GLY 215 CO -0.04 0.00 -0.69 0.00 0.00 0.00 0.00 176.54 175.81 1vhn n ALA 216 N -1.94 4.05 -1.93 3.60 0.00 -0.10 -4.69 120.51 119.51 1vhn n ALA 216 Ca -0.01 -0.62 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 1vhn n ALA 216 Cb 0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1vhn n ALA 216 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vhn s ILE 217 N -2.70 3.42 -0.01 0.00 1.01 -1.07 -1.40 121.20 120.45 1vhn s ILE 217 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1vhn s ILE 217 Cb 0.17 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1vhn s ILE 217 CO 0.70 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1vhn n GLY 218 N 5.13 0.39 2.31 6.18 0.00 -1.26 -4.37 105.19 113.56 1vhn n GLY 218 Ca 0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 1vhn n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vhn n ARG 219 N -2.08 0.93 0.29 1.61 1.74 -0.49 -3.30 116.66 115.35 1vhn n ARG 219 Ca -0.00 -3.04 0.18 0.00 -0.77 0.00 0.00 57.85 54.22 1vhn n ARG 219 Cb 0.12 -1.51 0.80 0.00 -1.02 0.00 0.00 32.46 30.85 1vhn n ARG 219 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1vhn h PRO 220 N 3.19 0.00 0.00 5.56 0.13 -1.91 -1.57 132.00 137.41 1vhn h PRO 220 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1vhn h PRO 220 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1vhn h PRO 220 CO 0.42 0.03 0.00 -2.67 -0.23 0.00 0.00 178.00 175.56 1vhn n TRP 221 N -3.18 0.00 0.17 1.56 2.14 -1.26 -2.50 117.44 114.37 1vhn n TRP 221 Ca -0.01 0.00 0.15 0.00 2.07 0.00 0.00 57.50 59.71 1vhn n TRP 221 Cb 0.25 -0.48 0.73 0.00 -0.81 0.00 0.00 31.31 31.00 1vhn n TRP 221 CO 0.00 0.00 0.00 0.97 2.07 0.00 0.00 177.69 180.73 1vhn h ILE 222 N 0.00 0.74 -0.41 -1.67 6.09 -1.63 -0.42 117.51 120.22 1vhn h ILE 222 Ca 0.00 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 63.40 1vhn h ILE 222 Cb 0.18 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 38.33 1vhn h ILE 222 CO 0.00 0.00 -0.11 -0.26 -3.07 0.00 0.00 178.15 174.71 1vhn h PHE 223 N 0.00 0.89 -0.48 2.19 0.04 -1.70 0.24 116.94 118.12 1vhn h PHE 223 Ca 0.10 -0.19 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 1vhn h PHE 223 Cb 0.44 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1vhn h PHE 223 CO 0.00 0.92 -0.22 -0.22 -0.60 0.00 0.00 178.31 178.18 1vhn h LYS 224 N 0.60 1.00 -0.53 1.51 3.64 -0.79 -2.20 116.57 119.81 1vhn h LYS 224 Ca 0.10 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1vhn h LYS 224 Cb 0.64 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1vhn h LYS 224 CO 0.04 1.11 0.30 1.96 -2.27 0.00 0.00 179.45 180.59 1vhn h GLN 225 N 0.86 0.73 -0.46 1.90 4.20 -0.78 0.70 115.11 122.26 1vhn h GLN 225 Ca 0.11 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1vhn h GLN 225 Cb 0.81 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1vhn h GLN 225 CO 0.07 0.56 0.29 0.82 -0.67 0.00 0.00 178.83 179.90 1vhn h ILE 226 N 0.70 1.13 -0.46 2.54 2.04 -0.84 0.23 117.51 122.85 1vhn h ILE 226 Ca 0.19 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1vhn h ILE 226 Cb 0.03 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1vhn h ILE 226 CO -0.03 0.13 -0.12 0.11 0.00 0.00 0.00 178.15 178.24 1vhn h LYS 227 N 0.62 0.84 -0.27 2.37 1.57 -0.99 -1.06 116.57 119.64 1vhn h LYS 227 Ca 0.17 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1vhn h LYS 227 Cb -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1vhn h LYS 227 CO -0.03 0.91 0.14 -0.44 -0.57 0.00 0.00 179.45 179.46 1vhn h ASP 228 N 0.75 0.34 -0.40 0.86 3.32 -0.64 -1.73 116.42 118.92 1vhn h ASP 228 Ca 0.12 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1vhn h ASP 228 Cb 0.62 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1vhn h ASP 228 CO 0.04 0.34 0.15 0.15 -1.72 0.00 0.00 179.24 178.19 1vhn h PHE 229 N 0.31 0.63 -0.27 4.55 3.57 -0.68 0.77 116.94 125.82 1vhn h PHE 229 Ca 0.09 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1vhn h PHE 229 Cb 0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1vhn h PHE 229 CO -0.03 0.57 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.50 1vhn h LEU 230 N 0.51 0.39 0.18 0.59 3.38 -1.06 0.94 115.31 120.23 1vhn h LEU 230 Ca 0.13 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 1vhn h LEU 230 Cb 0.22 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 40.89 1vhn h LEU 230 CO -0.01 0.50 -1.27 -0.09 0.09 0.00 0.00 178.44 177.66 1vhn h ARG 231 N 0.40 0.37 -0.00 1.13 2.43 -1.12 -3.42 114.38 114.18 1vhn h ARG 231 Ca 0.08 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1vhn h ARG 231 Cb 0.35 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1vhn h ARG 231 CO 0.02 1.31 -0.02 -1.13 -1.51 0.00 0.00 179.97 178.63 1vhn n SER 232 N -3.89 0.16 0.00 -3.80 3.41 0.25 -5.02 113.62 104.73 1vhn n SER 232 Ca -0.19 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 1vhn n SER 232 Cb 0.96 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 1vhn n SER 232 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vhn n GLY 233 N 0.89 0.72 3.06 5.00 0.00 0.32 -5.01 105.19 110.17 1vhn n GLY 233 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1vhn n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vhn s LYS 234 N -0.12 0.43 0.13 1.61 0.00 -1.26 -4.96 119.74 115.57 1vhn s LYS 234 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 55.97 55.27 1vhn s LYS 234 Cb 0.00 0.17 0.02 0.00 0.00 0.00 0.00 37.83 38.02 1vhn s LYS 234 CO 0.00 -0.09 0.33 1.52 0.00 0.00 0.00 175.35 177.11 1vhn s TYR 235 N -1.69 -0.00 0.26 1.78 1.13 -1.26 -2.97 117.35 114.60 1vhn s TYR 235 Ca -0.13 -0.36 0.09 0.00 -1.41 0.00 0.00 57.07 55.27 1vhn s TYR 235 Cb -0.07 0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1vhn s TYR 235 CO -0.01 -0.68 -0.15 -1.54 -2.51 0.00 0.00 175.55 170.66 1vhn s SER 236 N -2.85 3.13 0.23 -0.18 1.04 -1.26 -5.08 113.70 108.72 1vhn s SER 236 Ca 0.06 -1.06 -0.07 0.00 0.48 0.00 0.00 55.95 55.36 1vhn s SER 236 Cb 0.03 -0.23 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1vhn s SER 236 CO -0.09 -0.11 0.50 -1.61 0.98 0.00 0.00 173.24 172.91 1vhn s GLU 237 N -3.60 3.70 0.60 4.02 0.41 -1.26 -4.92 118.70 117.65 1vhn s GLU 237 Ca 0.27 0.08 -0.18 0.00 -0.41 0.00 0.00 54.97 54.74 1vhn s GLU 237 Cb -0.02 -2.70 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 1vhn s GLU 237 CO 0.12 0.32 1.18 -1.25 -0.49 0.00 0.00 175.26 175.15 1vhn s PRO 238 N -3.02 2.96 0.82 0.39 0.04 -1.26 -5.02 135.00 129.91 1vhn s PRO 238 Ca 0.44 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 1vhn s PRO 238 Cb -0.11 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.58 1vhn s PRO 238 CO 0.25 -1.20 1.12 -1.54 0.04 0.00 0.00 177.00 175.68 1vhn s SER 239 N -1.75 4.29 0.24 6.66 1.04 -1.26 -4.85 113.70 118.07 1vhn s SER 239 Ca 0.75 1.09 -0.06 0.00 0.48 0.00 0.00 55.95 58.22 1vhn s SER 239 Cb -0.28 -1.75 0.23 0.00 0.10 0.00 0.00 66.02 64.32 1vhn s SER 239 CO 0.34 -2.07 1.86 0.03 0.98 0.00 0.00 173.24 174.37 1vhn h ARG 240 N -1.16 1.22 -0.68 4.02 -0.00 -1.95 -0.65 114.38 115.19 1vhn h ARG 240 Ca -0.48 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.98 58.80 1vhn h ARG 240 Cb 1.30 -0.24 -0.03 0.00 0.00 0.00 0.00 29.97 31.00 1vhn h ARG 240 CO 0.62 0.90 0.23 1.49 0.00 0.00 0.00 179.97 183.21 1vhn h GLU 241 N 1.22 1.02 -0.24 0.04 4.57 -1.92 -0.81 114.58 118.46 1vhn h GLU 241 Ca 0.31 -0.20 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 1vhn h GLU 241 Cb 0.05 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1vhn h GLU 241 CO -0.05 0.86 -0.33 0.93 -1.18 0.00 0.00 179.01 179.25 1vhn h GLU 242 N 0.99 0.51 -0.32 1.92 5.08 -1.68 -1.40 114.58 119.68 1vhn h GLU 242 Ca 0.22 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1vhn h GLU 242 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1vhn h GLU 242 CO -0.01 0.77 0.10 0.82 -1.00 0.00 0.00 179.01 179.69 1vhn h ILE 243 N 0.43 1.21 -0.19 3.13 2.04 -0.53 -1.59 117.51 122.01 1vhn h ILE 243 Ca 0.05 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1vhn h ILE 243 Cb 0.78 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1vhn h ILE 243 CO 0.06 0.23 0.05 0.25 0.00 0.00 0.00 178.15 178.74 1vhn h LEU 244 N 0.36 0.04 -1.24 1.44 5.85 -0.87 -0.65 115.31 120.23 1vhn h LEU 244 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1vhn h LEU 244 Cb 0.25 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1vhn h LEU 244 CO -0.00 0.05 0.30 0.03 -0.34 0.00 0.00 178.44 178.48 1vhn h ARG 245 N 0.13 0.82 -0.25 1.25 3.08 -1.20 0.07 114.38 118.29 1vhn h ARG 245 Ca 0.08 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1vhn h ARG 245 Cb 0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1vhn h ARG 245 CO -0.10 0.62 -0.06 1.15 -1.07 0.00 0.00 179.97 180.52 1vhn h THR 246 N 0.83 1.28 -0.22 2.04 2.02 -0.91 -0.54 112.91 117.41 1vhn h THR 246 Ca 0.21 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1vhn h THR 246 Cb 0.06 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1vhn h THR 246 CO -0.03 0.33 0.05 0.15 0.37 0.00 0.00 175.52 176.39 1vhn h PHE 247 N 0.23 0.09 -0.71 3.16 3.57 -0.70 -0.15 116.94 122.42 1vhn h PHE 247 Ca 0.06 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1vhn h PHE 247 Cb 0.53 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1vhn h PHE 247 CO 0.05 0.03 0.45 0.93 -2.23 0.00 0.00 178.31 177.54 1vhn h GLU 248 N 0.14 0.85 -0.38 1.11 5.08 -0.84 0.86 114.58 121.40 1vhn h GLU 248 Ca 0.10 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1vhn h GLU 248 Cb 0.09 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1vhn h GLU 248 CO -0.12 0.56 0.15 -0.09 -1.00 0.00 0.00 179.01 178.51 1vhn h ARG 249 N 0.88 0.57 -0.41 2.33 9.65 -0.78 -0.12 114.38 126.49 1vhn h ARG 249 Ca 0.28 -0.11 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1vhn h ARG 249 Cb 0.01 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 1vhn h ARG 249 CO -0.10 0.55 0.25 1.25 2.80 0.00 0.00 179.97 184.72 1vhn h HIS 250 N 0.47 0.47 -0.73 2.20 2.76 -0.67 -0.61 115.15 119.03 1vhn h HIS 250 Ca 0.13 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1vhn h HIS 250 Cb 0.20 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1vhn h HIS 250 CO 0.00 0.28 0.34 1.25 -1.30 0.00 0.00 177.93 178.50 1vhn h LEU 251 N 0.50 0.96 -0.67 0.26 5.85 -0.63 0.19 115.31 121.78 1vhn h LEU 251 Ca 0.16 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1vhn h LEU 251 Cb -0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1vhn h LEU 251 CO -0.07 0.83 0.44 -0.08 -0.34 0.00 0.00 178.44 179.23 1vhn h GLU 252 N 1.02 0.88 -0.58 1.25 4.81 -0.63 0.92 114.58 122.25 1vhn h GLU 252 Ca 0.25 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1vhn h GLU 252 Cb 0.14 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1vhn h GLU 252 CO -0.03 0.58 0.10 -0.07 -0.73 0.00 0.00 179.01 178.86 1vhn h LEU 253 N 0.91 0.88 -0.24 1.64 3.38 -0.62 -1.27 115.31 120.00 1vhn h LEU 253 Ca 0.25 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1vhn h LEU 253 Cb -0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1vhn h LEU 253 CO -0.05 0.89 0.06 -0.07 0.09 0.00 0.00 178.44 179.35 1vhn h LEU 254 N 0.88 0.36 -0.40 1.67 3.38 -0.26 -1.28 115.31 119.66 1vhn h LEU 254 Ca 0.18 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1vhn h LEU 254 Cb 0.38 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1vhn h LEU 254 CO 0.01 0.49 0.21 0.40 0.09 0.00 0.00 178.44 179.63 1vhn h ILE 255 N 0.21 1.00 -0.74 1.22 2.04 -0.61 0.71 117.51 121.34 1vhn h ILE 255 Ca 0.08 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1vhn h ILE 255 Cb 0.27 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1vhn h ILE 255 CO -0.00 0.08 0.46 0.50 0.00 0.00 0.00 178.15 179.18 1vhn h LYS 256 N 0.43 1.00 0.01 2.37 3.64 -1.10 0.04 116.57 122.95 1vhn h LYS 256 Ca 0.16 -0.08 -0.26 0.00 -1.27 0.00 0.00 60.65 59.20 1vhn h LYS 256 Cb 0.05 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1vhn h LYS 256 CO -0.10 0.70 -1.41 1.79 -2.27 0.00 0.00 179.45 178.15 1vhn h THR 257 N 1.01 1.22 0.00 1.00 1.35 -1.07 -3.41 112.91 113.00 1vhn h THR 257 Ca 0.27 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 1vhn h THR 257 Cb -0.05 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1vhn h THR 257 CO -0.05 0.70 0.00 0.29 -0.25 0.00 0.00 175.52 176.21 1vhn n LYS 258 N -3.19 -0.54 0.00 4.72 5.02 0.23 -5.09 118.16 119.31 1vhn n LYS 258 Ca -0.10 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1vhn n LYS 258 Cb 1.01 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 1vhn n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vhn n GLY 259 N 0.02 -1.02 0.07 0.72 0.00 -0.00 -4.38 105.19 100.59 1vhn n GLY 259 Ca 0.00 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1vhn n GLY 259 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vhn h GLU 260 N 0.00 -0.08 0.09 1.61 5.08 -1.88 -1.03 114.58 118.36 1vhn h GLU 260 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1vhn h GLU 260 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1vhn h GLU 260 CO 0.00 -0.01 -0.16 -0.09 -1.00 0.00 0.00 179.01 177.75 1vhn h ARG 261 N -0.13 -0.30 -0.35 2.33 2.43 -1.88 -2.44 114.38 114.06 1vhn h ARG 261 Ca -0.01 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1vhn h ARG 261 Cb 0.10 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1vhn h ARG 261 CO 0.01 -0.20 -0.08 0.87 -1.51 0.00 0.00 179.97 179.06 1vhn h LYS 262 N -0.31 0.58 -0.43 0.20 1.57 -1.76 -2.67 116.57 113.75 1vhn h LYS 262 Ca 0.03 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1vhn h LYS 262 Cb 0.33 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1vhn h LYS 262 CO -0.09 0.67 0.22 0.00 -0.57 0.00 0.00 179.45 179.67 1vhn h ALA 263 N 1.37 0.54 -0.28 3.86 0.00 -0.76 0.42 119.26 124.41 1vhn h ALA 263 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1vhn h ALA 263 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1vhn h ALA 263 CO 0.03 -0.14 0.15 0.28 0.00 0.00 0.00 179.25 179.56 1vhn h VAL 264 N 0.43 1.13 -0.61 0.00 2.07 -1.21 -3.04 116.25 115.03 1vhn h VAL 264 Ca 0.19 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1vhn h VAL 264 Cb 0.09 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1vhn h VAL 264 CO -0.13 0.13 0.39 0.58 0.02 0.00 0.00 177.57 178.56 1vhn h VAL 265 N 0.33 1.11 0.00 2.57 2.07 -1.11 -2.59 116.25 118.63 1vhn h VAL 265 Ca 0.10 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1vhn h VAL 265 Cb 0.08 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1vhn h VAL 265 CO -0.01 0.14 0.00 1.21 0.02 0.00 0.00 177.57 178.93 1vhn n GLU 266 N -4.70 0.41 0.00 1.57 4.07 0.09 -4.15 120.64 117.94 1vhn n GLU 266 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1vhn n GLU 266 Cb 0.05 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 1vhn n GLU 266 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1vhn n ARG 268 N 1.31 0.00 0.30 5.31 1.74 -0.98 -4.17 116.66 120.17 1vhn n ARG 268 Ca 0.00 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.27 1vhn n ARG 268 Cb 0.21 -0.43 0.93 0.00 -1.02 0.00 0.00 32.46 32.14 1vhn n ARG 268 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1vhn h LYS 269 N 0.00 0.00 -0.00 5.56 1.57 -1.89 -3.05 116.57 118.76 1vhn h LYS 269 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vhn h LYS 269 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1vhn h LYS 269 CO 0.00 0.02 -0.61 1.19 -0.57 0.00 0.00 179.45 179.48 1vhn n PHE 270 N -3.17 0.00 -0.25 -1.35 3.01 -1.26 -4.62 117.46 109.83 1vhn n PHE 270 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 1vhn n PHE 270 Cb 0.19 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 39.85 1vhn n PHE 270 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1vhn h LEU 271 N 0.71 0.94 -0.70 4.37 3.38 -1.90 -1.56 115.31 120.55 1vhn h LEU 271 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1vhn h LEU 271 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1vhn h LEU 271 CO 0.00 0.73 0.38 0.00 0.09 0.00 0.00 178.44 179.64 1vhn h ALA 272 N 1.43 0.90 -0.29 1.53 0.00 -1.82 -1.72 119.26 119.30 1vhn h ALA 272 Ca 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1vhn h ALA 272 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1vhn h ALA 272 CO -0.05 0.41 0.03 0.78 0.00 0.00 0.00 179.25 180.42 1vhn h GLY 273 N 0.96 0.53 1.73 0.00 0.00 -1.64 -1.81 103.07 102.85 1vhn h GLY 273 Ca 0.25 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1vhn h GLY 273 CO -0.04 0.34 -0.20 -0.97 0.00 0.00 0.00 176.54 175.67 1vhn h TYR 274 N 0.30 0.35 -0.47 5.60 0.05 -1.12 -2.92 116.97 118.76 1vhn h TYR 274 Ca 0.09 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1vhn h TYR 274 Cb 0.38 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1vhn h TYR 274 CO 0.03 0.51 0.00 0.25 -1.05 0.00 0.00 178.16 177.90 1vhn n THR 275 N -4.19 0.62 -1.63 -2.88 -2.24 -0.66 -4.98 114.28 98.31 1vhn n THR 275 Ca -0.00 -0.76 -0.53 0.00 -2.27 0.00 0.00 64.05 60.49 1vhn n THR 275 Cb 0.34 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 1vhn n THR 275 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1vhn n LYS 276 N 1.36 1.26 -2.02 -0.78 4.81 -0.68 -1.20 118.16 120.91 1vhn n LYS 276 Ca 0.20 0.46 -0.19 0.00 -0.87 0.00 0.00 58.31 57.91 1vhn n LYS 276 Cb 0.56 -2.13 -0.04 0.00 0.02 0.00 0.00 35.03 33.45 1vhn n LYS 276 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1vhn n ASP 277 N 3.38 -5.33 -4.74 3.14 8.00 -1.26 -4.99 116.55 114.75 1vhn n ASP 277 Ca 0.20 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.53 1vhn n ASP 277 Cb 0.19 -4.42 -0.08 0.00 -0.02 0.00 0.00 41.12 36.79 1vhn n ASP 277 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vhn s LEU 278 N -4.89 4.10 -0.10 0.64 1.43 -0.34 -5.03 118.68 114.49 1vhn s LEU 278 Ca 0.00 0.25 -0.36 0.00 -1.03 0.00 0.00 54.13 52.99 1vhn s LEU 278 Cb 0.00 -2.03 -0.14 0.00 0.03 0.00 0.00 46.19 44.06 1vhn s LEU 278 CO 0.00 0.26 1.76 1.17 0.23 0.00 0.00 176.35 179.77 1vhn n LYS 279 N 2.97 1.78 -1.05 1.70 0.00 -1.26 -1.63 118.16 120.67 1vhn n LYS 279 Ca -0.17 0.65 -0.02 0.00 0.00 0.00 0.00 58.31 58.77 1vhn n LYS 279 Cb 0.53 -2.42 -0.01 0.00 0.00 0.00 0.00 35.03 33.13 1vhn n LYS 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vhn n GLY 280 N 4.06 0.53 0.37 3.14 0.00 -1.26 -4.95 105.19 107.09 1vhn n GLY 280 Ca 0.23 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 1vhn n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhn h ALA 281 N 0.00 1.29 -0.44 4.61 0.00 -1.61 -1.70 119.26 121.40 1vhn h ALA 281 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1vhn h ALA 281 Cb 0.13 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1vhn h ALA 281 CO 0.05 0.65 0.27 0.07 0.00 0.00 0.00 179.25 180.30 1vhn h ARG 282 N 1.32 0.54 -0.24 0.00 -0.00 -1.92 0.10 114.38 114.17 1vhn h ARG 282 Ca 0.35 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.98 60.29 1vhn h ARG 282 Cb -0.13 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 29.71 1vhn h ARG 282 CO -0.07 0.36 0.11 0.07 -0.00 0.00 0.00 179.97 180.43 1vhn h ARG 283 N 0.55 0.36 -0.30 0.08 -0.00 -1.88 -1.65 114.38 111.54 1vhn h ARG 283 Ca 0.17 -0.06 0.03 0.00 -0.00 0.00 0.00 59.98 60.12 1vhn h ARG 283 Cb -0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 29.85 1vhn h ARG 283 CO -0.06 0.38 0.12 0.35 -0.00 0.00 0.00 179.97 180.76 1vhn h PHE 284 N 0.25 0.21 -0.62 4.08 3.57 -0.96 -1.48 116.94 121.99 1vhn h PHE 284 Ca 0.08 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1vhn h PHE 284 Cb 0.15 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1vhn h PHE 284 CO -0.02 0.10 0.40 0.00 -2.23 0.00 0.00 178.31 176.56 1vhn h ARG 285 N 0.26 0.77 -0.73 1.11 3.08 -0.67 -1.06 114.38 117.14 1vhn h ARG 285 Ca 0.13 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.18 1vhn h ARG 285 Cb 0.09 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1vhn h ARG 285 CO -0.13 0.51 0.44 0.93 -1.07 0.00 0.00 179.97 180.66 1vhn h GLU 286 N 0.79 0.81 -0.11 0.04 3.07 -0.90 -2.37 114.58 115.91 1vhn h GLU 286 Ca 0.24 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.94 1vhn h GLU 286 Cb -0.04 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1vhn h GLU 286 CO -0.08 0.54 -0.40 0.87 -1.40 0.00 0.00 179.01 178.54 1vhn h LYS 287 N 0.83 0.25 -3.30 2.33 6.56 -0.63 -3.43 116.57 119.19 1vhn h LYS 287 Ca 0.31 -0.12 -0.79 0.00 -1.06 0.00 0.00 60.65 58.99 1vhn h LYS 287 Cb 0.11 -0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 31.52 1vhn h LYS 287 CO -0.15 0.62 0.97 1.33 -2.06 0.00 0.00 179.45 180.15 1vhn n VAL 288 N -4.03 4.92 0.00 0.50 0.24 -0.46 -4.64 118.33 114.85 1vhn n VAL 288 Ca -0.01 -5.46 0.00 0.00 -2.04 0.00 0.00 64.34 56.82 1vhn n VAL 288 Cb 0.47 -2.27 0.00 0.00 -1.47 0.00 0.00 33.84 30.57 1vhn n VAL 288 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1vhn n LYS 290 N 2.39 0.00 -1.83 7.34 4.01 -1.26 -4.87 118.16 123.94 1vhn n LYS 290 Ca 0.29 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.67 1vhn n LYS 290 Cb 0.36 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.85 1vhn n LYS 290 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1vhn s ILE 291 N 0.00 2.46 -0.11 -0.18 -1.09 -1.26 -4.91 121.20 116.11 1vhn s ILE 291 Ca 0.00 0.24 0.18 0.00 -2.23 0.00 0.00 60.65 58.84 1vhn s ILE 291 Cb 0.00 -3.16 -0.26 0.00 -1.58 0.00 0.00 42.46 37.46 1vhn s ILE 291 CO 0.00 0.01 0.24 -0.62 -1.23 0.00 0.00 174.94 173.34 1vhn n GLU 292 N 4.46 0.83 -2.89 2.79 1.02 -1.26 -4.94 120.64 120.64 1vhn n GLU 292 Ca 0.15 -0.09 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 1vhn n GLU 292 Cb 0.38 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 1vhn n GLU 292 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1vhn s GLU 293 N -2.88 4.32 0.32 3.49 2.02 -1.26 -4.83 118.70 119.89 1vhn s GLU 293 Ca -0.08 1.03 0.03 0.00 0.02 0.00 0.00 54.97 55.96 1vhn s GLU 293 Cb 0.09 -3.56 0.61 0.00 0.10 0.00 0.00 34.13 31.37 1vhn s GLU 293 CO 0.77 -0.28 1.92 -0.24 0.02 0.00 0.00 175.26 177.45 1vhn h VAL 294 N 5.13 1.03 -0.46 2.63 3.04 -1.92 -1.02 116.25 124.68 1vhn h VAL 294 Ca -0.31 -0.32 -0.09 0.00 -1.01 0.00 0.00 66.70 64.97 1vhn h VAL 294 Cb 1.14 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.42 1vhn h VAL 294 CO 0.83 0.17 -0.07 1.56 -1.01 0.00 0.00 177.57 179.04 1vhn h GLN 295 N 0.93 0.81 -0.34 4.17 7.50 -1.98 -1.47 115.11 124.73 1vhn h GLN 295 Ca 0.38 -0.26 -0.16 0.00 0.50 0.00 0.00 58.65 59.11 1vhn h GLN 295 Cb 0.28 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.72 1vhn h GLN 295 CO -0.15 0.86 -0.44 0.82 -1.50 0.00 0.00 178.83 178.43 1vhn h ILE 296 N 0.74 1.28 -0.22 2.54 1.08 -1.67 -1.82 117.51 119.44 1vhn h ILE 296 Ca 0.13 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 1vhn h ILE 296 Cb 0.55 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1vhn h ILE 296 CO 0.03 0.53 0.14 0.25 -0.69 0.00 0.00 178.15 178.41 1vhn h LEU 297 N 0.71 0.25 -0.74 1.44 5.85 -1.00 -2.79 115.31 119.03 1vhn h LEU 297 Ca 0.05 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1vhn h LEU 297 Cb 1.03 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1vhn h LEU 297 CO 0.10 0.21 0.48 0.50 -0.34 0.00 0.00 178.44 179.39 1vhn h LYS 298 N 0.28 0.98 -1.42 1.25 3.64 -1.20 -1.46 116.57 118.63 1vhn h LYS 298 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1vhn h LYS 298 Cb -0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1vhn h LYS 298 CO -0.02 0.65 0.00 0.39 -2.27 0.00 0.00 179.45 178.21 1vhn n GLU 299 N -4.56 0.38 0.00 1.90 1.02 -0.69 -1.66 120.64 117.03 1vhn n GLU 299 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1vhn n GLU 299 Cb 0.02 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1vhn n GLU 299 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1vhn n PHE 301 N 0.73 0.00 -0.11 -0.32 7.35 -0.55 -0.81 117.46 123.74 1vhn n PHE 301 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1vhn n PHE 301 Cb 0.17 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.00 1vhn n PHE 301 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1vhn h TYR 302 N 0.00 0.48 -0.76 -5.13 5.03 -1.57 -1.23 116.97 113.79 1vhn h TYR 302 Ca 0.00 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 1vhn h TYR 302 Cb 0.00 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.09 1vhn h TYR 302 CO 0.00 0.35 0.39 -0.91 -1.32 0.00 0.00 178.16 176.68 1vhn h ASN 303 N 0.46 0.97 -0.43 -2.11 4.21 -1.24 -0.96 115.58 116.48 1vhn h ASN 303 Ca 0.13 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1vhn h ASN 303 Cb 0.02 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 1vhn h ASN 303 CO -0.02 0.81 0.24 0.15 -1.29 0.00 0.00 177.43 177.31 1vhn h PHE 304 N 1.05 0.58 0.39 1.19 3.04 -1.71 -2.72 116.94 118.75 1vhn h PHE 304 Ca 0.26 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 1vhn h PHE 304 Cb 0.07 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.40 1vhn h PHE 304 CO 0.00 0.43 -0.18 0.82 -2.02 0.00 0.00 178.31 177.36 1vhn h ILE 305 N 0.56 0.40 -0.92 1.41 1.08 -0.89 -2.43 117.51 116.72 1vhn h ILE 305 Ca 0.15 -0.65 0.25 0.00 -0.39 0.00 0.00 64.86 64.22 1vhn h ILE 305 Cb 0.04 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 34.36 1vhn h ILE 305 CO -0.03 0.08 0.64 0.11 -0.69 0.00 0.00 178.15 178.27 1vhn h LYS 306 N -0.98 0.16 0.03 2.37 1.79 -1.26 0.29 116.57 118.96 1vhn h LYS 306 Ca -0.05 -0.01 -0.26 0.00 -2.18 0.00 0.00 60.65 58.14 1vhn h LYS 306 Cb 0.53 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1vhn h LYS 306 CO 0.09 0.10 -1.07 0.93 -1.08 0.00 0.00 179.45 178.42 1vhn h GLU 307 N 0.16 0.60 -0.44 3.15 3.07 -1.53 -3.05 114.58 116.54 1vhn h GLU 307 Ca 0.46 -0.68 -0.04 0.00 -0.50 0.00 0.00 59.36 58.60 1vhn h GLU 307 Cb 1.54 0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 29.63 1vhn h GLU 307 CO -0.09 1.28 0.11 0.28 -1.40 0.00 0.00 179.01 179.20 1vhn h VAL 308 N 0.32 1.19 0.00 3.13 2.07 -0.07 -3.52 116.25 119.37 1vhn h VAL 308 Ca -0.13 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1vhn h VAL 308 Cb 1.72 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1vhn h VAL 308 CO 0.20 0.25 0.00 -1.84 0.02 0.00 0.00 177.57 176.20