#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhg s TYR 7 N 0.00 3.30 0.09 -1.77 2.02 -1.26 -4.98 117.35 114.74 2vhg s TYR 7 Ca 0.00 1.65 0.09 0.00 -0.37 0.00 0.00 57.07 58.44 2vhg s TYR 7 Cb 0.00 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.52 2vhg s TYR 7 CO 0.00 -0.38 -0.23 -1.59 -1.57 0.00 0.00 175.55 171.78 2vhg s LYS 8 N -2.75 1.32 -0.17 -0.62 -2.85 -0.96 -5.00 119.74 108.71 2vhg s LYS 8 Ca 0.60 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 2vhg s LYS 8 Cb -0.17 -1.62 0.01 0.00 -2.06 0.00 0.00 37.83 34.00 2vhg s LYS 8 CO 0.21 0.39 -0.17 -1.12 0.10 0.00 0.00 175.35 174.76 2vhg s SER 9 N -1.74 3.41 0.49 0.03 0.01 -1.26 -1.42 113.70 113.22 2vhg s SER 9 Ca 0.09 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.79 2vhg s SER 9 Cb -0.10 -1.53 0.06 0.00 0.21 0.00 0.00 66.02 64.67 2vhg s SER 9 CO 0.04 0.03 0.44 -3.20 0.41 0.00 0.00 173.24 170.96 2vhg n ASN 10 N 4.41 0.68 -4.54 2.44 2.85 0.09 -4.91 115.26 116.29 2vhg n ASN 10 Ca -0.20 -1.55 -0.30 0.00 -0.11 0.00 0.00 54.58 52.42 2vhg n ASN 10 Cb 0.51 -0.28 -0.08 0.00 1.24 0.00 0.00 39.78 41.17 2vhg n ASN 10 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2vhg n HIS 11 N -1.97 1.06 -0.16 1.20 -0.00 -1.26 -2.55 115.22 111.54 2vhg n HIS 11 Ca 0.08 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 2vhg n HIS 11 Cb 0.27 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 2vhg n HIS 11 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2vhg n ASN 12 N 14.61 0.00 -4.63 0.26 4.13 -1.26 -4.96 115.26 123.41 2vhg n ASN 12 Ca 0.48 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.37 2vhg n ASN 12 Cb 0.38 -0.92 -0.10 0.00 -1.54 0.00 0.00 39.78 37.60 2vhg n ASN 12 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2vhg s VAL 13 N -2.03 5.31 -0.32 2.41 1.01 -1.06 -5.06 120.40 120.66 2vhg s VAL 13 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 2vhg s VAL 13 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2vhg s VAL 13 CO 0.00 0.31 0.22 -0.69 0.00 0.00 0.00 175.10 174.95 2vhg s VAL 14 N 1.30 5.28 0.10 2.92 1.01 -1.26 -0.73 120.40 129.01 2vhg s VAL 14 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2vhg s VAL 14 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2vhg s VAL 14 CO 0.07 0.08 -0.03 -0.72 0.00 0.00 0.00 175.10 174.50 2vhg s TYR 15 N 1.73 0.80 -0.39 5.22 -0.85 -0.51 -5.01 117.35 118.34 2vhg s TYR 15 Ca 0.06 -1.02 0.05 0.00 -0.52 0.00 0.00 57.07 55.64 2vhg s TYR 15 Cb -0.17 -0.49 0.17 0.00 0.38 0.00 0.00 41.96 41.85 2vhg s TYR 15 CO 0.11 -0.29 0.48 0.45 -1.52 0.00 0.00 175.55 174.78 2vhg s SER 16 N -3.02 0.02 -0.22 -0.18 0.15 -1.26 -2.27 113.70 106.92 2vhg s SER 16 Ca 0.13 -1.24 0.02 0.00 0.70 0.00 0.00 55.95 55.57 2vhg s SER 16 Cb 0.07 1.16 0.04 0.00 -1.71 0.00 0.00 66.02 65.57 2vhg s SER 16 CO -0.05 -0.22 -0.16 0.00 1.20 0.00 0.00 173.24 174.02 2vhg s LYS 18 N 1.20 1.71 0.11 0.00 1.02 -1.26 -1.39 119.74 121.12 2vhg s LYS 18 Ca -0.02 -0.58 0.08 0.00 0.02 0.00 0.00 55.97 55.47 2vhg s LYS 18 Cb -0.16 -1.49 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 2vhg s LYS 18 CO -0.09 0.23 -0.19 0.71 -0.92 0.00 0.00 175.35 175.09 2vhg s TYR 19 N 0.05 1.71 -0.35 3.18 1.51 0.29 -1.17 117.35 122.57 2vhg s TYR 19 Ca -0.04 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.50 2vhg s TYR 19 Cb -0.11 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.85 2vhg s TYR 19 CO 0.02 0.20 0.15 -1.01 -1.11 0.00 0.00 175.55 173.81 2vhg s HIS 20 N -1.35 3.25 -0.11 2.71 3.76 0.97 -1.46 115.29 123.06 2vhg s HIS 20 Ca 0.07 -1.21 -0.01 0.00 -0.15 0.00 0.00 55.06 53.76 2vhg s HIS 20 Cb -0.09 -2.35 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 2vhg s HIS 20 CO 0.04 -0.69 -0.08 0.42 -0.85 0.00 0.00 174.74 173.58 2vhg s ILE 21 N 1.47 3.56 -0.02 0.60 1.01 0.11 -1.38 121.20 126.55 2vhg s ILE 21 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 2vhg s ILE 21 Cb -0.19 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.80 2vhg s ILE 21 CO 0.05 0.55 0.04 -0.69 0.00 0.00 0.00 174.94 174.89 2vhg s VAL 22 N -0.16 -0.04 0.00 2.92 1.01 -0.68 -0.71 120.40 122.75 2vhg s VAL 22 Ca 0.01 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2vhg s VAL 22 Cb -0.13 -0.09 0.01 0.00 0.00 0.00 0.00 36.38 36.17 2vhg s VAL 22 CO 0.03 0.06 0.22 -1.66 0.00 0.00 0.00 175.10 173.74 2vhg s TRP 23 N 0.70 -0.05 0.17 5.22 -2.14 -1.19 -0.07 118.94 121.58 2vhg s TRP 23 Ca -0.06 0.02 0.11 0.00 2.66 0.00 0.00 56.10 58.82 2vhg s TRP 23 Cb -0.08 0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.26 2vhg s TRP 23 CO -0.02 -0.35 -0.21 0.00 -2.66 0.00 0.00 176.95 173.70 2vhg s PRO 25 N -2.50 -0.12 0.43 0.00 0.04 -1.26 -3.95 135.00 127.63 2vhg s PRO 25 Ca 0.20 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.57 2vhg s PRO 25 Cb -0.09 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 2vhg s PRO 25 CO 0.10 -3.12 1.35 0.21 0.04 0.00 0.00 177.00 175.58 2vhg s LYS 26 N -4.80 3.83 -0.50 4.56 2.20 -0.34 -1.90 119.74 122.79 2vhg s LYS 26 Ca 0.66 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 2vhg s LYS 26 Cb -0.21 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2vhg s LYS 26 CO 0.60 -0.65 0.00 0.66 -0.36 0.00 0.00 175.35 175.60 2vhg n TYR 27 N -0.04 0.00 -2.05 4.03 0.53 -1.26 -2.12 117.16 116.25 2vhg n TYR 27 Ca 0.04 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.73 2vhg n TYR 27 Cb 0.43 -2.33 -0.04 0.00 -1.03 0.00 0.00 39.34 36.37 2vhg n TYR 27 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2vhg n ARG 28 N 0.23 -1.63 -1.67 -0.72 1.74 -0.80 -4.88 116.66 108.93 2vhg n ARG 28 Ca -0.05 1.03 -0.43 0.00 -0.77 0.00 0.00 57.85 57.63 2vhg n ARG 28 Cb 0.54 -5.56 -0.03 0.00 -1.02 0.00 0.00 32.46 26.39 2vhg n ARG 28 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2vhg n ARG 29 N -2.68 2.81 -0.67 5.56 3.00 -0.90 -4.74 116.66 119.04 2vhg n ARG 29 Ca -0.21 1.03 -0.18 0.00 -0.00 0.00 0.00 57.85 58.48 2vhg n ARG 29 Cb 0.66 -2.97 -0.03 0.00 0.00 0.00 0.00 32.46 30.12 2vhg n ARG 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2vhg n LYS 30 N 7.18 1.82 0.00 -0.14 5.02 -1.26 -4.43 118.16 126.35 2vhg n LYS 30 Ca 0.20 -1.26 0.12 0.00 -2.02 0.00 0.00 58.31 55.35 2vhg n LYS 30 Cb 0.39 -2.31 0.15 0.00 -0.02 0.00 0.00 35.03 33.24 2vhg n LYS 30 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2vhg n VAL 31 N 3.99 0.00 -1.94 -0.18 0.24 -1.19 -4.60 118.33 114.65 2vhg n VAL 31 Ca 0.39 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 62.22 2vhg n VAL 31 Cb 0.18 0.57 -0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2vhg n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vhg n LEU 32 N -1.20 7.00 -4.09 1.34 4.77 -1.08 -4.64 117.00 119.10 2vhg n LEU 32 Ca 0.07 -4.39 -0.10 0.00 -0.03 0.00 0.00 56.01 51.56 2vhg n LEU 32 Cb 0.35 -1.57 -0.09 0.00 -2.33 0.00 0.00 43.42 39.78 2vhg n LEU 32 CO 0.35 1.34 -0.22 0.68 -1.33 0.00 0.00 177.39 178.20 2vhg s VAL 33 N 1.81 0.10 0.00 4.08 -7.23 -1.26 -4.04 120.40 113.86 2vhg s VAL 33 Ca 0.46 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2vhg s VAL 33 Cb 0.13 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 35.11 2vhg s VAL 33 CO -0.05 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 2vhg n GLY 34 N -0.12 3.99 0.13 2.32 0.00 -1.26 -1.83 105.19 108.42 2vhg n GLY 34 Ca -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2vhg n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhg h ALA 35 N -0.88 0.90 0.00 4.61 0.00 -1.98 -2.87 119.26 119.05 2vhg h ALA 35 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2vhg h ALA 35 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2vhg h ALA 35 CO 0.00 0.82 -0.00 0.28 0.00 0.00 0.00 179.25 180.35 2vhg h VAL 36 N 0.00 1.21 -0.17 0.00 2.07 -1.66 -0.10 116.25 117.61 2vhg h VAL 36 Ca -0.01 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 2vhg h VAL 36 Cb 1.17 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2vhg h VAL 36 CO 0.09 0.17 -0.18 1.05 0.02 0.00 0.00 177.57 178.71 2vhg h GLU 37 N -0.28 0.28 -0.05 1.57 4.11 -1.59 0.77 114.58 119.40 2vhg h GLU 37 Ca -0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 2vhg h GLU 37 Cb 0.28 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2vhg h GLU 37 CO 0.00 0.46 0.02 1.98 0.07 0.00 0.00 179.01 181.54 2vhg h MET 38 N 0.26 0.07 -0.27 1.06 4.05 -1.26 -2.53 114.93 116.31 2vhg h MET 38 Ca 0.05 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.35 2vhg h MET 38 Cb 0.47 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2vhg h MET 38 CO 0.03 0.23 -0.26 0.00 0.23 0.00 0.00 176.91 177.15 2vhg h ARG 39 N -0.10 0.53 0.19 0.39 2.47 -0.61 -2.85 114.38 114.40 2vhg h ARG 39 Ca 0.02 -0.21 0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2vhg h ARG 39 Cb 0.19 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 2vhg h ARG 39 CO -0.00 0.75 -0.24 1.25 0.56 0.00 0.00 179.97 182.29 2vhg h LEU 40 N 0.47 -0.65 -1.53 3.04 5.85 -0.67 -1.58 115.31 120.25 2vhg h LEU 40 Ca 0.07 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2vhg h LEU 40 Cb 0.69 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 2vhg h LEU 40 CO 0.05 -0.34 0.27 0.11 -0.34 0.00 0.00 178.44 178.20 2vhg h LYS 41 N -0.48 0.59 0.56 1.25 1.57 -1.41 -2.08 116.57 116.56 2vhg h LYS 41 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2vhg h LYS 41 Cb 0.47 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.65 2vhg h LYS 41 CO -0.09 0.41 -0.27 0.93 -0.57 0.00 0.00 179.45 179.87 2vhg h GLU 42 N 0.60 -0.72 -0.64 3.15 5.08 -1.17 -1.95 114.58 118.93 2vhg h GLU 42 Ca 0.16 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 2vhg h GLU 42 Cb -0.03 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2vhg h GLU 42 CO -0.03 -0.43 0.35 0.82 -1.00 0.00 0.00 179.01 178.71 2vhg h ILE 43 N -0.87 0.95 -0.83 3.13 2.04 -1.10 -1.24 117.51 119.59 2vhg h ILE 43 Ca -0.08 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2vhg h ILE 43 Cb 0.62 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2vhg h ILE 43 CO 0.13 0.12 0.38 0.40 0.00 0.00 0.00 178.15 179.17 2vhg h ILE 44 N 0.64 1.26 -0.63 -0.67 2.04 -1.34 0.78 117.51 119.59 2vhg h ILE 44 Ca 0.29 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 2vhg h ILE 44 Cb 0.20 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 2vhg h ILE 44 CO -0.19 0.31 0.28 1.56 0.00 0.00 0.00 178.15 180.12 2vhg h GLN 45 N 1.18 0.92 -0.27 2.37 1.08 -0.67 0.22 115.11 119.95 2vhg h GLN 45 Ca 0.28 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2vhg h GLN 45 Cb 0.14 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2vhg h GLN 45 CO -0.03 0.75 0.16 1.49 -0.95 0.00 0.00 178.83 180.25 2vhg h GLU 46 N 0.87 0.36 -0.50 1.46 4.81 -0.52 -1.01 114.58 120.05 2vhg h GLU 46 Ca 0.21 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2vhg h GLU 46 Cb 0.15 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2vhg h GLU 46 CO -0.02 0.29 0.30 0.28 -0.73 0.00 0.00 179.01 179.13 2vhg h VAL 47 N 0.33 1.06 -0.54 0.32 2.07 -0.42 -1.24 116.25 117.83 2vhg h VAL 47 Ca 0.09 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2vhg h VAL 47 Cb 0.03 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2vhg h VAL 47 CO -0.02 0.11 0.31 0.00 0.02 0.00 0.00 177.57 178.00 2vhg h ALA 48 N 1.21 0.70 -0.51 1.67 0.00 -0.12 0.13 119.26 122.34 2vhg h ALA 48 Ca 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2vhg h ALA 48 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2vhg h ALA 48 CO -0.08 0.02 0.27 0.87 0.00 0.00 0.00 179.25 180.32 2vhg h LYS 49 N 0.62 0.72 0.00 0.00 1.57 -0.75 0.21 116.57 118.94 2vhg h LYS 49 Ca 0.22 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2vhg h LYS 49 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2vhg h LYS 49 CO -0.11 0.58 -0.24 0.93 -0.57 0.00 0.00 179.45 180.04 2vhg h GLU 50 N 0.68 0.00 -0.37 3.15 5.08 -0.36 -2.70 114.58 120.06 2vhg h GLU 50 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2vhg h GLU 50 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2vhg h GLU 50 CO -0.03 0.24 0.00 1.28 -1.00 0.00 0.00 179.01 179.50 2vhg n LEU 51 N -4.06 4.42 -3.36 1.33 4.77 0.38 -4.96 117.00 115.52 2vhg n LEU 51 Ca -0.02 -2.93 -0.23 0.00 -0.03 0.00 0.00 56.01 52.80 2vhg n LEU 51 Cb 0.31 -0.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2vhg n LEU 51 CO 0.36 0.67 -0.03 0.54 -1.33 0.00 0.00 177.39 177.60 2vhg n ARG 52 N -0.07 -3.51 -3.66 3.23 1.74 -0.31 -4.94 116.66 109.13 2vhg n ARG 52 Ca 0.23 0.50 -0.38 0.00 -0.77 0.00 0.00 57.85 57.44 2vhg n ARG 52 Cb 0.96 -5.22 -0.06 0.00 -1.02 0.00 0.00 32.46 27.12 2vhg n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2vhg s VAL 53 N -2.96 5.23 -0.47 1.55 1.01 0.59 -4.79 120.40 120.57 2vhg s VAL 53 Ca 0.40 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 2vhg s VAL 53 Cb -0.21 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2vhg s VAL 53 CO 0.49 0.60 0.47 -0.70 0.00 0.00 0.00 175.10 175.96 2vhg s GLU 54 N -1.05 3.04 -0.44 2.72 2.56 -0.79 -4.38 118.70 120.37 2vhg s GLU 54 Ca 0.20 -1.09 -0.29 0.00 0.00 0.00 0.00 54.97 53.79 2vhg s GLU 54 Cb -0.15 -4.09 0.03 0.00 2.00 0.00 0.00 34.13 31.92 2vhg s GLU 54 CO 0.09 -1.05 1.13 0.42 -0.56 0.00 0.00 175.26 175.30 2vhg s ILE 55 N 2.04 4.26 0.00 -3.70 -1.09 -1.26 -1.29 121.20 120.16 2vhg s ILE 55 Ca 0.09 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 2vhg s ILE 55 Cb -0.21 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.11 2vhg s ILE 55 CO 0.10 -0.90 0.00 -0.38 -1.23 0.00 0.00 174.94 172.53 2vhg n ILE 56 N 6.65 0.00 -4.78 2.92 5.41 -0.14 -4.99 119.36 124.43 2vhg n ILE 56 Ca 0.12 0.45 -0.31 0.00 1.00 0.00 0.00 62.75 64.01 2vhg n ILE 56 Cb 0.49 -1.40 -0.13 0.00 -0.71 0.00 0.00 39.64 37.88 2vhg n ILE 56 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2vhg s GLU 57 N -0.90 2.18 -0.31 0.38 2.12 -1.01 -4.98 118.70 116.18 2vhg s GLU 57 Ca 0.00 -0.91 0.01 0.00 0.36 0.00 0.00 54.97 54.43 2vhg s GLU 57 Cb 0.00 -2.22 0.19 0.00 0.26 0.00 0.00 34.13 32.36 2vhg s GLU 57 CO 0.00 0.56 0.75 1.41 -0.54 0.00 0.00 175.26 177.44 2vhg s MET 58 N -1.19 0.47 0.08 4.30 1.75 -1.26 -0.36 119.30 123.09 2vhg s MET 58 Ca 0.13 0.27 0.08 0.00 -1.25 0.00 0.00 55.69 54.93 2vhg s MET 58 Cb -0.10 0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.69 2vhg s MET 58 CO 0.04 -0.81 -0.16 1.14 -0.65 0.00 0.00 175.02 174.57 2vhg s GLN 59 N 2.65 1.98 0.13 4.11 -2.07 -0.93 -5.00 119.66 120.53 2vhg s GLN 59 Ca 0.16 -1.06 0.06 0.00 -1.82 0.00 0.00 55.36 52.69 2vhg s GLN 59 Cb -0.06 -2.19 -0.04 0.00 -1.09 0.00 0.00 33.01 29.63 2vhg s GLN 59 CO -0.21 0.51 0.01 0.99 -1.32 0.00 0.00 175.29 175.27 2vhg s THR 60 N -1.06 3.97 0.07 3.63 2.01 -1.26 -2.06 115.64 120.94 2vhg s THR 60 Ca 0.17 -1.14 0.02 0.00 0.31 0.00 0.00 61.69 61.05 2vhg s THR 60 Cb -0.11 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 2vhg s THR 60 CO 0.09 0.02 -0.07 -0.62 -0.69 0.00 0.00 174.62 173.34 2vhg s ASP 61 N -2.60 1.01 0.16 3.53 -1.08 -0.44 -5.01 116.67 112.24 2vhg s ASP 61 Ca 0.27 -0.79 -0.14 0.00 -0.52 0.00 0.00 52.55 51.37 2vhg s ASP 61 Cb -0.11 0.07 0.15 0.00 -1.46 0.00 0.00 42.92 41.57 2vhg s ASP 61 CO 0.19 -0.34 1.13 0.29 0.52 0.00 0.00 175.17 176.96 2vhg n LYS 62 N 0.67 -0.19 -0.54 4.34 5.02 -1.26 -1.98 118.16 124.22 2vhg n LYS 62 Ca -0.17 1.12 0.05 0.00 -2.02 0.00 0.00 58.31 57.29 2vhg n LYS 62 Cb 0.58 -1.67 0.24 0.00 -0.02 0.00 0.00 35.03 34.16 2vhg n LYS 62 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2vhg n ASP 63 N -5.06 3.44 -3.64 4.39 3.85 -1.26 -2.63 116.55 115.64 2vhg n ASP 63 Ca 0.07 -3.24 -0.02 0.00 -0.71 0.00 0.00 54.79 50.89 2vhg n ASP 63 Cb 0.28 -0.57 -0.04 0.00 -1.35 0.00 0.00 41.12 39.44 2vhg n ASP 63 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 2vhg s HIS 64 N -2.96 -0.04 0.12 2.11 -3.43 -0.84 -4.27 115.29 105.98 2vhg s HIS 64 Ca 0.43 0.07 0.06 0.00 -0.80 0.00 0.00 55.06 54.82 2vhg s HIS 64 Cb 0.36 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.96 2vhg s HIS 64 CO 0.06 -0.04 -0.02 -1.50 -2.00 0.00 0.00 174.74 171.25 2vhg s ILE 65 N -1.04 3.82 -0.10 -5.38 2.07 -0.75 -1.33 121.20 118.48 2vhg s ILE 65 Ca 0.09 -1.17 -0.00 0.00 -1.41 0.00 0.00 60.65 58.15 2vhg s ILE 65 Cb -0.01 -2.85 0.02 0.00 0.13 0.00 0.00 42.46 39.76 2vhg s ILE 65 CO -0.08 0.04 -0.07 -2.28 -1.91 0.00 0.00 174.94 170.65 2vhg s HIS 66 N -1.42 1.39 -0.01 3.50 5.65 -0.88 -3.15 115.29 120.37 2vhg s HIS 66 Ca 0.26 -0.66 0.06 0.00 0.25 0.00 0.00 55.06 54.96 2vhg s HIS 66 Cb -0.11 -1.17 -0.01 0.00 -1.18 0.00 0.00 32.58 30.11 2vhg s HIS 66 CO 0.18 -0.47 -0.18 0.42 -0.65 0.00 0.00 174.74 174.04 2vhg s ILE 67 N 1.63 1.40 -0.22 0.89 1.01 0.11 -2.18 121.20 123.84 2vhg s ILE 67 Ca 0.03 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2vhg s ILE 67 Cb -0.13 -1.17 0.05 0.00 0.01 0.00 0.00 42.46 41.22 2vhg s ILE 67 CO -0.07 0.37 -0.07 -0.22 0.00 0.00 0.00 174.94 174.95 2vhg s LEU 68 N -0.48 2.51 0.12 2.97 2.96 0.51 0.06 118.68 127.34 2vhg s LEU 68 Ca 0.07 -1.09 0.04 0.00 -0.22 0.00 0.00 54.13 52.93 2vhg s LEU 68 Cb -0.07 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 2vhg s LEU 68 CO -0.00 -0.20 -0.10 0.00 -1.32 0.00 0.00 176.35 174.73 2vhg s ALA 69 N 1.38 1.29 -0.23 5.97 0.00 -0.54 -0.96 121.76 128.67 2vhg s ALA 69 Ca -0.04 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 2vhg s ALA 69 Cb -0.18 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2vhg s ALA 69 CO -0.07 -0.09 0.08 0.34 0.00 0.00 0.00 175.76 176.03 2vhg s ASP 70 N -2.92 5.42 -0.05 0.00 2.15 -0.41 -0.55 116.67 120.31 2vhg s ASP 70 Ca 0.12 -0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.04 2vhg s ASP 70 Cb 0.01 -1.96 0.02 0.00 -0.30 0.00 0.00 42.92 40.68 2vhg s ASP 70 CO -0.00 0.03 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.32 2vhg s ILE 71 N 1.23 0.80 -0.03 4.11 1.01 -0.49 -1.88 121.20 125.95 2vhg s ILE 71 Ca 0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 60.65 60.10 2vhg s ILE 71 Cb -0.14 -0.77 -0.11 0.00 0.01 0.00 0.00 42.46 41.45 2vhg s ILE 71 CO 0.04 0.28 1.90 -0.67 0.00 0.00 0.00 174.94 176.49 2vhg n ASP 72 N 3.95 3.72 0.21 3.58 2.03 -1.26 -4.53 116.55 124.24 2vhg n ASP 72 Ca -0.24 0.95 0.18 0.00 0.52 0.00 0.00 54.79 56.20 2vhg n ASP 72 Cb 0.51 -1.43 0.80 0.00 -0.72 0.00 0.00 41.12 40.27 2vhg n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2vhg h PRO 73 N 9.55 0.00 0.00 -0.67 0.13 -1.97 0.31 132.00 139.34 2vhg h PRO 73 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2vhg h PRO 73 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2vhg h PRO 73 CO 0.94 0.00 -0.21 0.77 -0.23 0.00 0.00 178.00 179.27 2vhg h SER 74 N 0.00 0.00 0.02 1.44 0.02 -2.03 -3.35 113.55 109.65 2vhg h SER 74 Ca 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2vhg h SER 74 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2vhg h SER 74 CO -0.00 0.20 -0.01 0.15 -1.14 0.00 0.00 176.83 176.03 2vhg h PHE 75 N 0.00 -0.02 0.00 3.45 3.57 -0.75 -3.51 116.94 119.69 2vhg h PHE 75 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2vhg h PHE 75 Cb 1.16 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2vhg h PHE 75 CO 0.00 0.41 0.00 0.41 -2.23 0.00 0.00 178.31 176.90 2vhg n GLY 76 N 1.61 2.95 0.09 2.40 0.00 -1.12 -4.77 105.19 106.35 2vhg n GLY 76 Ca -0.05 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 2vhg n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2vhg h VAL 77 N 0.00 1.23 -0.14 1.61 2.07 -1.92 -3.04 116.25 116.06 2vhg h VAL 77 Ca 0.00 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.84 2vhg h VAL 77 Cb 0.00 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2vhg h VAL 77 CO 0.00 0.21 0.16 0.24 0.02 0.00 0.00 177.57 178.20 2vhg h MET 78 N -0.09 0.00 -0.13 1.57 2.86 -1.98 -0.67 114.93 116.48 2vhg h MET 78 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2vhg h MET 78 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2vhg h MET 78 CO 0.00 0.00 -0.34 -0.22 1.06 0.00 0.00 176.91 177.41 2vhg h LYS 79 N 0.00 0.47 0.01 1.72 3.64 -1.83 -0.80 116.57 119.77 2vhg h LYS 79 Ca 0.07 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2vhg h LYS 79 Cb 0.39 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2vhg h LYS 79 CO -0.00 0.94 -0.00 0.35 -2.27 0.00 0.00 179.45 178.47 2vhg h PHE 80 N 0.07 -0.01 -0.64 1.91 3.57 -1.19 -2.39 116.94 118.26 2vhg h PHE 80 Ca -0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2vhg h PHE 80 Cb 0.95 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 2vhg h PHE 80 CO 0.11 0.13 0.32 0.82 -2.23 0.00 0.00 178.31 177.46 2vhg h ILE 81 N -0.15 0.90 -0.11 1.41 2.04 -1.19 0.29 117.51 120.70 2vhg h ILE 81 Ca -0.00 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2vhg h ILE 81 Cb 0.15 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2vhg h ILE 81 CO 0.00 0.11 0.01 0.50 0.00 0.00 0.00 178.15 178.76 2vhg h LYS 82 N 0.58 0.04 -0.51 2.37 3.64 -1.02 0.35 116.57 122.02 2vhg h LYS 82 Ca 0.30 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2vhg h LYS 82 Cb 0.26 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2vhg h LYS 82 CO -0.22 0.03 0.06 1.15 -2.27 0.00 0.00 179.45 178.20 2vhg h THR 83 N 0.04 1.25 0.57 1.00 2.02 -1.00 0.39 112.91 117.19 2vhg h THR 83 Ca 0.05 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 2vhg h THR 83 Cb 0.05 0.89 0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2vhg h THR 83 CO -0.08 0.35 -0.28 0.00 0.37 0.00 0.00 175.52 175.88 2vhg h ALA 84 N 0.97 -1.18 -0.10 6.16 0.00 -0.69 0.51 119.26 124.92 2vhg h ALA 84 Ca 0.15 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2vhg h ALA 84 Cb 0.43 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2vhg h ALA 84 CO 0.01 -1.13 -0.16 0.87 0.00 0.00 0.00 179.25 178.85 2vhg h LYS 85 N -0.79 -0.20 -0.56 0.00 1.57 -0.98 -2.02 116.57 113.60 2vhg h LYS 85 Ca -0.08 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2vhg h LYS 85 Cb 0.59 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2vhg h LYS 85 CO 0.13 -0.13 0.37 0.78 -0.57 0.00 0.00 179.45 180.03 2vhg h GLY 86 N -0.21 0.79 0.65 3.86 0.00 -0.95 -1.44 103.07 105.77 2vhg h GLY 86 Ca 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2vhg h GLY 86 CO -0.22 0.29 -0.11 -0.09 0.00 0.00 0.00 176.54 176.40 2vhg h ARG 87 N 0.76 0.23 -0.06 4.80 2.43 -0.83 -2.82 114.38 118.90 2vhg h ARG 87 Ca 0.21 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2vhg h ARG 87 Cb -0.09 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 2vhg h ARG 87 CO -0.04 0.69 -0.27 0.66 -1.51 0.00 0.00 179.97 179.49 2vhg h SER 88 N -0.20 -0.82 -0.35 -3.80 4.64 -1.30 -0.25 113.55 111.47 2vhg h SER 88 Ca 0.01 0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.52 2vhg h SER 88 Cb 0.66 0.34 -0.08 0.00 -0.31 0.00 0.00 62.40 63.01 2vhg h SER 88 CO 0.03 -0.33 -0.28 0.77 -0.87 0.00 0.00 176.83 176.15 2vhg h SER 89 N -0.38 -0.91 0.57 4.97 4.64 -1.31 0.20 113.55 121.33 2vhg h SER 89 Ca 0.08 0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 2vhg h SER 89 Cb 0.50 0.44 0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2vhg h SER 89 CO -0.27 -0.30 -0.27 -0.09 -0.87 0.00 0.00 176.83 175.03 2vhg h ARG 90 N -0.23 -0.74 0.44 4.77 1.12 -1.18 -2.09 114.38 116.47 2vhg h ARG 90 Ca 0.17 0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 59.07 2vhg h ARG 90 Cb 0.50 0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 2vhg h ARG 90 CO -0.48 -0.48 -0.23 0.82 -3.11 0.00 0.00 179.97 176.49 2vhg h ILE 91 N -0.79 0.54 -0.30 1.20 2.04 -0.70 -3.12 117.51 116.37 2vhg h ILE 91 Ca -0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.85 2vhg h ILE 91 Cb 0.60 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2vhg h ILE 91 CO 0.13 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.97 2vhg h LEU 92 N -0.61 -0.79 0.00 1.44 3.38 -0.64 -0.55 115.31 117.54 2vhg h LEU 92 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2vhg h LEU 92 Cb 0.48 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2vhg h LEU 92 CO 0.09 -0.27 0.03 0.54 0.09 0.00 0.00 178.44 178.92 2vhg n ARG 93 N -5.38 0.00 -0.06 1.13 1.74 -0.79 -0.27 116.66 113.04 2vhg n ARG 93 Ca 0.00 0.35 -0.10 0.00 -0.77 0.00 0.00 57.85 57.33 2vhg n ARG 93 Cb 0.30 -1.53 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 2vhg n ARG 93 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2vhg n GLN 94 N -1.34 0.66 -0.08 5.56 6.02 -0.23 -4.58 117.38 123.39 2vhg n GLN 94 Ca 0.00 0.16 -0.09 0.00 -0.01 0.00 0.00 57.00 57.06 2vhg n GLN 94 Cb 0.03 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 29.58 2vhg n GLN 94 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2vhg h GLU 95 N 0.00 0.00 -4.60 -1.09 3.07 -0.49 -3.43 114.58 108.04 2vhg h GLU 95 Ca -0.41 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 57.73 2vhg h GLU 95 Cb 2.11 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 29.82 2vhg h GLU 95 CO 0.06 0.32 0.39 -0.06 -1.40 0.00 0.00 179.01 178.32 2vhg s PHE 96 N -2.22 3.25 0.36 4.33 0.40 0.02 -4.93 117.98 119.18 2vhg s PHE 96 Ca -0.18 -1.40 0.13 0.00 -0.60 0.00 0.00 56.93 54.88 2vhg s PHE 96 Cb 0.03 -4.07 0.94 0.00 0.51 0.00 0.00 43.02 40.43 2vhg s PHE 96 CO 0.32 -1.30 1.78 -0.97 0.70 0.00 0.00 175.22 175.75 2vhg h ASN 97 N 8.67 0.60 -0.09 1.36 -0.73 -1.83 -1.77 115.58 121.79 2vhg h ASN 97 Ca -0.01 0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.27 2vhg h ASN 97 Cb 1.05 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.63 2vhg h ASN 97 CO 1.01 0.16 0.07 1.12 -0.37 0.00 0.00 177.43 179.42 2vhg h HIS 98 N 0.55 0.00 -0.06 0.67 2.07 -1.93 -0.86 115.15 115.58 2vhg h HIS 98 Ca 0.58 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.06 2vhg h HIS 98 Cb 1.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.18 2vhg h HIS 98 CO -0.00 0.00 -0.14 -0.07 -3.07 0.00 0.00 177.93 174.64 2vhg h LEU 99 N 0.00 0.09 0.15 6.12 3.38 -1.68 0.24 115.31 123.62 2vhg h LEU 99 Ca 0.04 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 2vhg h LEU 99 Cb 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2vhg h LEU 99 CO -0.00 0.25 -1.56 0.50 0.09 0.00 0.00 178.44 177.72 2vhg h LYS 100 N 0.10 0.32 -0.00 1.13 3.64 -1.32 -3.16 116.57 117.27 2vhg h LYS 100 Ca 0.02 -0.55 -0.23 0.00 -1.27 0.00 0.00 60.65 58.62 2vhg h LYS 100 Cb 0.32 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2vhg h LYS 100 CO 0.02 1.26 -0.96 1.79 -2.27 0.00 0.00 179.45 179.30 2vhg h THR 101 N -0.10 1.38 0.00 1.00 1.35 -1.21 -3.30 112.91 112.02 2vhg h THR 101 Ca -0.32 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 2vhg h THR 101 Cb 1.93 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.75 2vhg h THR 101 CO 0.12 0.72 -0.53 0.50 -0.25 0.00 0.00 175.52 176.09 2vhg h LYS 102 N 0.27 0.00 -4.63 4.72 3.64 -0.71 -3.47 116.57 116.39 2vhg h LYS 102 Ca -0.09 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.96 2vhg h LYS 102 Cb 1.59 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 33.16 2vhg h LYS 102 CO 0.17 0.00 -0.76 -0.51 -2.27 0.00 0.00 179.45 176.08 2vhg s LEU 103 N -5.52 2.13 0.23 5.20 1.43 -1.19 -5.04 118.68 115.92 2vhg s LEU 103 Ca 0.04 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.88 2vhg s LEU 103 Cb 0.08 -0.31 0.19 0.00 0.03 0.00 0.00 46.19 46.18 2vhg s LEU 103 CO 0.73 -0.04 1.51 1.55 0.23 0.00 0.00 176.35 180.33 2vhg h PRO 104 N 5.23 0.03 -3.39 1.29 0.13 -1.84 -3.40 132.00 130.06 2vhg h PRO 104 Ca -0.33 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 2vhg h PRO 104 Cb 1.19 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 2vhg h PRO 104 CO 0.45 0.75 -0.24 0.95 -0.23 0.00 0.00 178.00 179.68 2vhg s THR 105 N -3.38 0.09 0.10 1.56 -4.23 -1.26 -5.07 115.64 103.45 2vhg s THR 105 Ca -0.01 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.68 2vhg s THR 105 Cb 0.12 -1.03 -0.22 0.00 1.34 0.00 0.00 72.50 72.70 2vhg s THR 105 CO 0.78 -0.41 1.23 0.25 -0.54 0.00 0.00 174.62 175.93 2vhg h LEU 106 N 3.03 0.63 -9.50 4.79 6.46 -1.88 -3.40 115.31 115.44 2vhg h LEU 106 Ca -0.32 -0.55 -0.56 0.00 -0.12 0.00 0.00 57.88 56.33 2vhg h LEU 106 Cb 1.21 -0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 40.81 2vhg h LEU 106 CO 0.48 1.36 -0.57 0.26 -0.62 0.00 0.00 178.44 179.35 2vhg s TRP 107 N -3.13 1.99 0.50 1.25 0.52 -1.26 -1.19 118.94 117.62 2vhg s TRP 107 Ca -0.07 -1.00 0.09 0.00 0.02 0.00 0.00 56.10 55.14 2vhg s TRP 107 Cb 0.08 -1.39 0.04 0.00 -1.15 0.00 0.00 33.47 31.05 2vhg s TRP 107 CO 0.89 0.04 0.64 0.95 0.02 0.00 0.00 176.95 179.49 2vhg s THR 108 N -3.10 2.48 -0.26 2.01 -4.23 -1.25 -4.59 115.64 106.70 2vhg s THR 108 Ca 0.27 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 2vhg s THR 108 Cb 0.06 -2.55 0.30 0.00 1.34 0.00 0.00 72.50 71.66 2vhg s THR 108 CO 0.13 0.00 1.62 -0.46 -0.54 0.00 0.00 174.62 175.38 2vhg n ASN 109 N -1.99 4.28 -4.18 3.99 6.94 -1.26 -4.87 115.26 118.17 2vhg n ASN 109 Ca 0.10 -2.89 -0.15 0.00 -0.02 0.00 0.00 54.58 51.62 2vhg n ASN 109 Cb 0.61 -0.78 -0.11 0.00 -2.36 0.00 0.00 39.78 37.14 2vhg n ASN 109 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2vhg s SER 110 N -0.08 1.52 0.18 0.53 0.15 -1.26 -5.15 113.70 109.58 2vhg s SER 110 Ca 0.30 -0.81 -0.23 0.00 0.70 0.00 0.00 55.95 55.91 2vhg s SER 110 Cb 0.24 -0.00 0.06 0.00 -1.71 0.00 0.00 66.02 64.61 2vhg s SER 110 CO 0.04 -0.24 0.66 0.00 1.20 0.00 0.00 173.24 174.89 2vhg s PHE 112 N -3.73 2.97 -0.15 0.00 5.36 0.90 -4.98 117.98 118.34 2vhg s PHE 112 Ca 0.04 -0.62 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 2vhg s PHE 112 Cb -0.02 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2vhg s PHE 112 CO -0.08 -0.30 -0.14 0.42 -1.46 0.00 0.00 175.22 173.67 2vhg s ILE 113 N 0.91 1.57 -0.08 3.12 -1.09 -1.26 -1.68 121.20 122.69 2vhg s ILE 113 Ca -0.01 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.79 2vhg s ILE 113 Cb -0.15 -1.48 0.02 0.00 -1.58 0.00 0.00 42.46 39.28 2vhg s ILE 113 CO 0.01 0.46 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.54 2vhg s SER 114 N 1.49 1.83 0.21 3.58 0.15 -0.48 -4.97 113.70 115.51 2vhg s SER 114 Ca 0.05 -0.27 -0.30 0.00 0.70 0.00 0.00 55.95 56.14 2vhg s SER 114 Cb -0.13 -0.76 -0.08 0.00 -1.71 0.00 0.00 66.02 63.34 2vhg s SER 114 CO -0.11 -0.06 1.04 0.42 1.20 0.00 0.00 173.24 175.74 2vhg s THR 115 N 1.22 3.89 -0.01 6.45 -4.23 -1.26 -0.02 115.64 121.68 2vhg s THR 115 Ca -0.05 1.77 0.04 0.00 -1.18 0.00 0.00 61.69 62.26 2vhg s THR 115 Cb -0.14 -4.12 -0.01 0.00 1.34 0.00 0.00 72.50 69.57 2vhg s THR 115 CO -0.02 0.36 -0.12 0.54 -0.54 0.00 0.00 174.62 174.84 2vhg s VAL 116 N -0.71 0.96 0.00 2.29 0.11 -0.32 -4.90 120.40 117.82 2vhg s VAL 116 Ca 0.45 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2vhg s VAL 116 Cb -0.28 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 2vhg s VAL 116 CO 0.35 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 173.01 2vhg n GLY 117 N 2.85 4.08 3.70 6.54 0.00 -1.26 -4.12 105.19 116.98 2vhg n GLY 117 Ca -0.15 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 2vhg n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vhg s GLY 118 N 0.00 1.90 -0.65 -0.02 0.00 -1.26 -5.02 107.32 102.27 2vhg s GLY 118 Ca 0.00 -0.96 -0.36 0.00 0.00 0.00 0.00 44.72 43.40 2vhg s GLY 118 CO 0.00 -0.85 2.38 0.00 0.00 0.00 0.00 173.10 174.63 2vhg n ALA 119 N 1.26 0.46 -1.96 3.20 0.00 -1.26 -4.83 120.51 117.38 2vhg n ALA 119 Ca -0.14 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 2vhg n ALA 119 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2vhg n ALA 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2vhg n PRO 120 N 8.13 3.28 -0.96 0.00 -0.04 -1.26 -4.99 135.00 139.15 2vhg n PRO 120 Ca 0.55 -2.98 -0.32 0.00 -0.04 0.00 0.00 63.50 60.71 2vhg n PRO 120 Cb 0.09 -3.09 0.14 0.00 -0.04 0.00 0.00 33.50 30.59 2vhg n PRO 120 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2vhg s LEU 121 N 0.97 2.99 0.00 1.53 2.96 -1.26 -2.33 118.68 123.55 2vhg s LEU 121 Ca 0.45 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.54 2vhg s LEU 121 Cb 0.13 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.25 2vhg s LEU 121 CO -0.05 -2.73 0.00 -3.20 -1.32 0.00 0.00 176.35 169.05 2vhg n ASN 122 N -3.76 0.00 -0.07 3.68 5.15 -1.26 -4.57 115.26 114.43 2vhg n ASN 122 Ca 0.12 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.04 2vhg n ASN 122 Cb 0.52 -0.10 -0.13 0.00 -0.53 0.00 0.00 39.78 39.53 2vhg n ASN 122 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2vhg n VAL 123 N -1.97 0.99 -0.06 3.44 0.31 -0.98 -3.80 118.33 116.26 2vhg n VAL 123 Ca 0.00 -0.67 -0.11 0.00 -0.01 0.00 0.00 64.34 63.54 2vhg n VAL 123 Cb 0.00 -0.46 -0.05 0.00 -0.91 0.00 0.00 33.84 32.41 2vhg n VAL 123 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2vhg h VAL 124 N 0.00 1.24 -0.65 2.52 2.07 -1.79 -1.86 116.25 117.78 2vhg h VAL 124 Ca -0.39 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 2vhg h VAL 124 Cb 1.87 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 2vhg h VAL 124 CO 0.02 0.24 0.22 0.11 0.02 0.00 0.00 177.57 178.17 2vhg h LYS 125 N 0.07 1.00 -0.04 1.57 1.57 -1.89 -1.64 116.57 117.21 2vhg h LYS 125 Ca 0.05 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2vhg h LYS 125 Cb 0.34 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2vhg h LYS 125 CO 0.01 0.87 -0.32 -0.56 -0.57 0.00 0.00 179.45 178.88 2vhg h GLN 126 N 0.93 0.08 0.31 3.15 3.07 -1.64 -0.80 115.11 120.22 2vhg h GLN 126 Ca 0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.91 2vhg h GLN 126 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.83 2vhg h GLN 126 CO -0.01 0.39 -0.15 -0.92 0.09 0.00 0.00 178.83 178.23 2vhg h TYR 127 N 0.07 -0.39 -0.32 0.06 3.20 -0.81 -1.17 116.97 117.61 2vhg h TYR 127 Ca 0.01 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.93 2vhg h TYR 127 Cb 0.60 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 2vhg h TYR 127 CO 0.00 -0.11 -0.02 0.82 -1.64 0.00 0.00 178.16 177.22 2vhg h ILE 128 N -0.63 0.75 0.00 1.81 2.04 -0.96 0.04 117.51 120.56 2vhg h ILE 128 Ca -0.04 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2vhg h ILE 128 Cb 0.45 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2vhg h ILE 128 CO 0.07 0.01 -0.05 -0.33 0.00 0.00 0.00 178.15 177.85 2vhg h GLU 129 N 0.07 0.00 -0.00 2.37 5.08 -1.13 -0.89 114.58 120.08 2vhg h GLU 129 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2vhg h GLU 129 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2vhg h GLU 129 CO -0.27 0.05 -0.00 -1.71 -1.00 0.00 0.00 179.01 176.08 2vhg n ASN 130 N -3.24 0.07 -0.45 1.42 4.05 -0.02 -3.20 115.26 113.89 2vhg n ASN 130 Ca -0.01 -0.92 0.08 0.00 0.45 0.00 0.00 54.58 54.17 2vhg n ASN 130 Cb 0.25 -0.03 0.29 0.00 1.23 0.00 0.00 39.78 41.52 2vhg n ASN 130 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2vhg n GLN 131 N -0.98 1.59 -0.44 1.20 1.13 -0.34 -5.06 117.38 114.48 2vhg n GLN 131 Ca 0.23 -0.89 0.00 0.00 -1.94 0.00 0.00 57.00 54.39 2vhg n GLN 131 Cb 0.14 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.19 2vhg n GLN 131 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56