#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhc s TYR 3 N 0.00 3.59 0.70 1.43 2.02 -1.26 -5.05 117.35 118.78 1vhc s TYR 3 Ca 0.00 1.74 -0.10 0.00 -0.37 0.00 0.00 57.07 58.34 1vhc s TYR 3 Cb 0.00 -3.08 0.03 0.00 -0.40 0.00 0.00 41.96 38.51 1vhc s TYR 3 CO 0.00 -0.18 1.07 0.95 -1.57 0.00 0.00 175.55 175.81 1vhc s THR 4 N -1.45 3.08 0.14 -0.71 -4.23 -1.26 -4.88 115.64 106.33 1vhc s THR 4 Ca 0.50 0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.98 1vhc s THR 4 Cb -0.24 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1vhc s THR 4 CO 0.30 -0.40 1.65 0.74 -0.54 0.00 0.00 174.62 176.38 1vhc h THR 5 N -0.64 0.50 -0.68 3.99 2.02 -1.96 -1.54 112.91 114.60 1vhc h THR 5 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1vhc h THR 5 Cb 1.28 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1vhc h THR 5 CO 0.63 0.00 0.34 -0.61 0.37 0.00 0.00 175.52 176.25 1vhc h GLN 6 N -0.25 0.96 -0.53 6.66 5.75 -1.99 -0.70 115.11 125.00 1vhc h GLN 6 Ca 0.10 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1vhc h GLN 6 Cb 0.40 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1vhc h GLN 6 CO -0.28 0.73 0.16 1.96 -2.65 0.00 0.00 178.83 178.75 1vhc h GLN 7 N 0.96 0.80 -0.20 1.69 4.20 -1.79 -1.33 115.11 119.43 1vhc h GLN 7 Ca 0.24 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1vhc h GLN 7 Cb 0.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1vhc h GLN 7 CO -0.03 0.69 -0.25 0.82 -0.67 0.00 0.00 178.83 179.39 1vhc h ILE 8 N 0.78 1.26 -0.32 2.54 2.04 -0.49 -1.51 117.51 121.81 1vhc h ILE 8 Ca 0.18 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1vhc h ILE 8 Cb 0.23 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1vhc h ILE 8 CO -0.01 0.38 0.11 0.40 0.00 0.00 0.00 178.15 179.03 1vhc h ILE 9 N 0.33 1.19 0.00 -0.67 1.08 -0.16 -1.67 117.51 117.61 1vhc h ILE 9 Ca 0.05 -0.61 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 1vhc h ILE 9 Cb 0.63 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1vhc h ILE 9 CO 0.05 0.21 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.12 1vhc h GLU 10 N 0.36 0.00 -0.19 2.37 4.39 -1.00 -1.35 114.58 119.16 1vhc h GLU 10 Ca 0.10 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.62 1vhc h GLU 10 Cb 0.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1vhc h GLU 10 CO -0.01 0.27 -0.62 0.87 -1.16 0.00 0.00 179.01 178.36 1vhc h LYS 11 N 0.00 0.68 -0.22 2.33 1.57 -0.72 -2.94 116.57 117.27 1vhc h LYS 11 Ca -0.00 -0.47 -0.17 0.00 -1.87 0.00 0.00 60.65 58.13 1vhc h LYS 11 Cb 0.48 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1vhc h LYS 11 CO 0.03 1.09 -0.57 -0.07 -0.57 0.00 0.00 179.45 179.37 1vhc h LEU 12 N 0.50 0.75 -1.57 2.94 3.38 -1.04 -2.00 115.31 118.28 1vhc h LEU 12 Ca -0.01 -0.41 0.16 0.00 0.09 0.00 0.00 57.88 57.71 1vhc h LEU 12 Cb 1.21 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1vhc h LEU 12 CO 0.12 1.16 0.52 -0.09 0.09 0.00 0.00 178.44 180.24 1vhc h ARG 13 N 0.51 0.41 0.00 1.13 2.43 -1.22 0.33 114.38 117.97 1vhc h ARG 13 Ca 0.01 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 1vhc h ARG 13 Cb 1.14 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 1vhc h ARG 13 CO 0.11 0.27 -1.02 1.49 -1.51 0.00 0.00 179.97 179.31 1vhc h GLU 14 N 0.42 0.01 0.19 0.20 4.81 -1.30 -3.34 114.58 115.55 1vhc h GLU 14 Ca 0.38 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 59.29 1vhc h GLU 14 Cb 0.89 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.29 1vhc h GLU 14 CO -0.13 0.99 -1.43 -0.07 -0.73 0.00 0.00 179.01 177.65 1vhc h LEU 15 N 0.00 0.61 0.00 1.64 3.38 -0.14 -3.47 115.31 117.33 1vhc h LEU 15 Ca -0.02 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1vhc h LEU 15 Cb 1.78 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1vhc h LEU 15 CO 0.13 1.55 0.00 0.29 0.09 0.00 0.00 178.44 180.50 1vhc n LYS 16 N -3.60 0.00 -3.65 1.13 5.02 0.92 -4.85 118.16 113.13 1vhc n LYS 16 Ca -0.14 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.98 1vhc n LYS 16 Cb 1.07 -2.32 -0.15 0.00 -0.02 0.00 0.00 35.03 33.61 1vhc n LYS 16 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1vhc s ILE 17 N -0.69 -0.31 -0.19 -0.18 1.10 -1.26 -1.95 121.20 117.72 1vhc s ILE 17 Ca 0.00 0.28 -0.04 0.00 -0.51 0.00 0.00 60.65 60.38 1vhc s ILE 17 Cb 0.00 -0.38 -0.02 0.00 0.15 0.00 0.00 42.46 42.21 1vhc s ILE 17 CO 0.00 0.10 -0.03 -0.69 -2.11 0.00 0.00 174.94 172.21 1vhc s VAL 18 N 2.33 3.72 -0.06 4.00 1.01 -0.12 -4.97 120.40 126.31 1vhc s VAL 18 Ca 0.03 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1vhc s VAL 18 Cb -0.12 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1vhc s VAL 18 CO -0.07 0.45 1.35 -2.84 0.00 0.00 0.00 175.10 173.99 1vhc s PRO 19 N 0.91 4.28 -0.37 2.72 0.02 -1.26 -1.21 135.00 140.08 1vhc s PRO 19 Ca -0.00 1.85 -0.15 0.00 0.02 0.00 0.00 61.00 62.72 1vhc s PRO 19 Cb -0.14 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.72 1vhc s PRO 19 CO 0.01 -0.60 0.36 0.08 -0.33 0.00 0.00 177.00 176.52 1vhc s VAL 20 N 2.79 5.17 -0.11 3.83 1.01 -0.26 -1.13 120.40 131.70 1vhc s VAL 20 Ca 0.61 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1vhc s VAL 20 Cb -0.28 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1vhc s VAL 20 CO 0.23 -0.20 -0.10 -0.63 0.00 0.00 0.00 175.10 174.40 1vhc s ILE 21 N 1.97 3.34 -0.11 2.22 1.01 0.34 -4.59 121.20 125.38 1vhc s ILE 21 Ca 0.10 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1vhc s ILE 21 Cb -0.17 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 1vhc s ILE 21 CO 0.12 0.55 -0.23 0.00 0.00 0.00 0.00 174.94 175.38 1vhc s ALA 22 N -0.07 2.23 0.09 9.38 0.00 -1.26 -1.21 121.76 130.91 1vhc s ALA 22 Ca -0.01 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.03 1vhc s ALA 22 Cb -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1vhc s ALA 22 CO 0.03 0.26 -0.12 -0.51 0.00 0.00 0.00 175.76 175.42 1vhc s LEU 23 N 0.37 2.34 -0.07 0.00 1.43 -1.26 -4.84 118.68 116.66 1vhc s LEU 23 Ca -0.17 -0.71 0.14 0.00 -1.03 0.00 0.00 54.13 52.35 1vhc s LEU 23 Cb -0.18 -0.43 -0.21 0.00 0.03 0.00 0.00 46.19 45.41 1vhc s LEU 23 CO 0.08 -0.16 0.21 0.47 0.23 0.00 0.00 176.35 177.18 1vhc n ASP 24 N 0.91 1.52 -3.91 2.29 8.00 -1.26 -4.57 116.55 119.54 1vhc n ASP 24 Ca -0.18 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.02 1vhc n ASP 24 Cb 0.56 1.32 -0.16 0.00 -0.02 0.00 0.00 41.12 42.82 1vhc n ASP 24 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1vhc s ASN 25 N -4.18 3.28 0.32 -2.24 2.47 -1.26 -4.81 114.94 108.51 1vhc s ASN 25 Ca -0.06 -0.89 0.09 0.00 0.42 0.00 0.00 52.86 52.41 1vhc s ASN 25 Cb 0.07 -1.02 0.85 0.00 -1.45 0.00 0.00 41.25 39.70 1vhc s ASN 25 CO 0.61 -0.21 1.75 0.00 -3.72 0.00 0.00 177.10 175.53 1vhc h ALA 26 N 8.05 1.79 0.00 1.71 0.00 -1.89 -1.82 119.26 127.10 1vhc h ALA 26 Ca -0.22 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vhc h ALA 26 Cb 1.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1vhc h ALA 26 CO 0.41 -0.21 -0.01 -0.44 0.00 0.00 0.00 179.25 179.00 1vhc h ASP 27 N 0.64 0.00 0.40 0.00 3.32 -1.95 -1.09 116.42 117.74 1vhc h ASP 27 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 1vhc h ASP 27 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1vhc h ASP 27 CO -0.42 0.01 0.00 0.44 -1.72 0.00 0.00 179.24 177.55 1vhc h ASP 28 N 0.00 0.00 0.05 6.45 3.32 -1.76 -2.66 116.42 121.82 1vhc h ASP 28 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1vhc h ASP 28 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1vhc h ASP 28 CO 0.00 0.00 -0.11 -0.29 -1.72 0.00 0.00 179.24 177.12 1vhc h ILE 29 N 0.00 1.14 0.27 0.35 6.09 -1.39 -2.16 117.51 121.80 1vhc h ILE 29 Ca 0.00 -0.60 -0.01 0.00 -1.37 0.00 0.00 64.86 62.88 1vhc h ILE 29 Cb 0.20 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.68 1vhc h ILE 29 CO 0.00 0.18 -0.13 -0.07 -3.07 0.00 0.00 178.15 175.07 1vhc h LEU 30 N 0.14 -0.30 -0.90 2.19 3.38 -1.70 0.70 115.31 118.82 1vhc h LEU 30 Ca 0.03 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1vhc h LEU 30 Cb 0.28 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1vhc h LEU 30 CO 0.02 0.10 0.58 1.55 0.09 0.00 0.00 178.44 180.78 1vhc h PRO 31 N -0.76 1.19 -0.46 1.13 0.13 -1.76 0.78 132.00 132.26 1vhc h PRO 31 Ca -0.04 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1vhc h PRO 31 Cb 0.50 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 1vhc h PRO 31 CO 0.06 0.80 0.28 1.25 -0.23 0.00 0.00 178.00 180.16 1vhc h LEU 32 N 1.22 0.54 -0.98 1.56 5.85 -1.30 -0.49 115.31 121.72 1vhc h LEU 32 Ca 0.33 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 1vhc h LEU 32 Cb -0.12 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1vhc h LEU 32 CO -0.07 0.43 -0.16 0.00 -0.34 0.00 0.00 178.44 178.30 1vhc h ALA 33 N 1.14 1.14 -0.55 1.25 0.00 0.84 -1.23 119.26 121.85 1vhc h ALA 33 Ca 0.16 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1vhc h ALA 33 Cb -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1vhc h ALA 33 CO -0.03 0.54 0.25 -0.44 0.00 0.00 0.00 179.25 179.56 1vhc h ASP 34 N 0.51 0.32 -0.61 0.00 3.32 -0.03 -0.18 116.42 119.74 1vhc h ASP 34 Ca 0.09 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1vhc h ASP 34 Cb 0.57 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1vhc h ASP 34 CO 0.04 0.21 0.08 0.74 -1.72 0.00 0.00 179.24 178.59 1vhc h THR 35 N 0.47 1.26 -0.12 0.35 2.02 -0.67 -0.98 112.91 115.25 1vhc h THR 35 Ca 0.25 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1vhc h THR 35 Cb 0.22 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1vhc h THR 35 CO -0.21 0.38 0.00 -0.07 0.37 0.00 0.00 175.52 176.00 1vhc h LEU 36 N 0.94 0.21 -0.16 2.58 3.38 -0.73 -2.54 115.31 118.99 1vhc h LEU 36 Ca 0.18 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1vhc h LEU 36 Cb 0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1vhc h LEU 36 CO 0.02 0.46 0.03 0.00 0.09 0.00 0.00 178.44 179.04 1vhc h ALA 37 N 0.76 0.16 -0.60 1.53 0.00 -0.94 0.44 119.26 120.61 1vhc h ALA 37 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1vhc h ALA 37 Cb 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1vhc h ALA 37 CO 0.01 -0.41 0.40 0.87 0.00 0.00 0.00 179.25 180.11 1vhc h LYS 38 N 0.10 0.55 -0.83 0.00 1.57 -1.19 -1.35 116.57 115.42 1vhc h LYS 38 Ca 0.07 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1vhc h LYS 38 Cb 0.06 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 1vhc h LYS 38 CO -0.09 0.36 0.17 0.09 -0.57 0.00 0.00 179.45 179.41 1vhc n ASN 39 N -4.48 3.87 0.00 0.86 3.02 -0.96 -4.94 115.26 112.64 1vhc n ASN 39 Ca 0.09 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.85 1vhc n ASN 39 Cb 0.25 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1vhc n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vhc n GLY 40 N 0.02 0.74 2.89 7.41 0.00 -0.51 -4.74 105.19 111.01 1vhc n GLY 40 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 1vhc n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vhc s LEU 41 N 0.00 3.88 -1.08 0.99 1.43 0.15 -4.99 118.68 119.06 1vhc s LEU 41 Ca 0.00 -2.76 -0.02 0.00 -1.03 0.00 0.00 54.13 50.31 1vhc s LEU 41 Cb 0.00 -1.46 0.29 0.00 0.03 0.00 0.00 46.19 45.05 1vhc s LEU 41 CO 0.00 -0.26 1.86 -1.20 0.23 0.00 0.00 176.35 176.98 1vhc n SER 42 N 3.42 7.28 -3.70 2.29 7.64 -1.26 -3.58 113.62 125.71 1vhc n SER 42 Ca 0.05 -3.56 -0.15 0.00 1.01 0.00 0.00 58.87 56.23 1vhc n SER 42 Cb 0.34 -1.22 -0.08 0.00 -1.01 0.00 0.00 64.21 62.24 1vhc n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vhc s VAL 43 N -3.56 0.04 -0.28 0.44 0.11 -1.26 -1.91 120.40 113.97 1vhc s VAL 43 Ca 0.40 -0.33 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1vhc s VAL 43 Cb 0.17 -0.71 0.08 0.00 -1.53 0.00 0.00 36.38 34.39 1vhc s VAL 43 CO -0.09 -0.18 0.76 0.00 -3.33 0.00 0.00 175.10 172.26 1vhc s ALA 44 N -1.22 -1.86 -0.45 1.54 0.00 -0.62 -4.55 121.76 114.59 1vhc s ALA 44 Ca -0.12 2.14 -0.16 0.00 0.00 0.00 0.00 51.96 53.82 1vhc s ALA 44 Cb -0.04 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.81 1vhc s ALA 44 CO 0.06 -0.34 0.42 -2.00 0.00 0.00 0.00 175.76 173.90 1vhc s GLU 45 N 0.81 3.03 -0.38 0.00 2.12 -0.28 -0.70 118.70 123.29 1vhc s GLU 45 Ca -0.03 -1.06 -0.16 0.00 0.36 0.00 0.00 54.97 54.08 1vhc s GLU 45 Cb -0.05 -4.05 0.01 0.00 0.26 0.00 0.00 34.13 30.29 1vhc s GLU 45 CO -0.07 -0.95 0.38 0.42 -0.54 0.00 0.00 175.26 174.49 1vhc s ILE 46 N 1.92 5.15 0.18 -3.70 1.01 -0.35 -0.50 121.20 124.91 1vhc s ILE 46 Ca 0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1vhc s ILE 46 Cb -0.21 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.27 1vhc s ILE 46 CO 0.10 -0.25 1.16 0.28 0.00 0.00 0.00 174.94 176.23 1vhc s THR 47 N 2.01 3.70 -1.61 2.92 -1.32 -0.35 -1.68 115.64 119.31 1vhc s THR 47 Ca 0.11 1.44 0.00 0.00 -1.21 0.00 0.00 61.69 62.03 1vhc s THR 47 Cb -0.17 -3.92 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 1vhc s THR 47 CO 0.12 0.24 0.68 0.49 -2.21 0.00 0.00 174.62 173.94 1vhc n PHE 48 N 2.48 0.00 1.35 9.09 3.01 0.59 -3.23 117.46 130.76 1vhc n PHE 48 Ca 0.04 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.59 1vhc n PHE 48 Cb 0.45 -0.03 0.53 0.00 -0.01 0.00 0.00 39.48 40.42 1vhc n PHE 48 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1vhc n ARG 49 N -0.27 0.68 -4.97 -1.08 0.63 -1.26 -4.58 116.66 105.80 1vhc n ARG 49 Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 1vhc n ARG 49 Cb 0.08 -1.41 -0.16 0.00 0.45 0.00 0.00 32.46 31.42 1vhc n ARG 49 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1vhc s SER 50 N -1.88 2.37 0.50 6.15 0.01 -1.20 -5.02 113.70 114.62 1vhc s SER 50 Ca 0.27 -0.37 0.19 0.00 1.31 0.00 0.00 55.95 57.34 1vhc s SER 50 Cb 0.12 -0.42 1.25 0.00 0.21 0.00 0.00 66.02 67.19 1vhc s SER 50 CO 0.21 0.22 2.08 1.05 0.41 0.00 0.00 173.24 177.21 1vhc h GLU 51 N 5.86 0.00 0.00 12.44 9.09 -1.84 -2.67 114.58 137.45 1vhc h GLU 51 Ca -0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.05 1vhc h GLU 51 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.25 1vhc h GLU 51 CO 0.48 0.10 0.00 0.00 0.05 0.00 0.00 179.01 179.64 1vhc n ALA 52 N -2.46 2.34 0.10 1.06 0.00 -1.26 -4.28 120.51 116.01 1vhc n ALA 52 Ca -0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1vhc n ALA 52 Cb 0.18 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 1vhc n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhc h ALA 53 N 3.32 -0.71 -0.24 0.00 0.00 -1.73 -1.59 119.26 118.29 1vhc h ALA 53 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1vhc h ALA 53 Cb 0.19 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1vhc h ALA 53 CO 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 179.25 178.29 1vhc h ALA 54 N -0.12 0.22 -0.66 0.00 0.00 -1.85 -0.74 119.26 116.11 1vhc h ALA 54 Ca 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vhc h ALA 54 Cb 0.67 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1vhc h ALA 54 CO -0.27 -0.41 0.40 -0.44 0.00 0.00 0.00 179.25 178.54 1vhc h ASP 55 N 0.10 0.78 -0.52 0.00 3.32 -1.82 -2.20 116.42 116.08 1vhc h ASP 55 Ca 0.11 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1vhc h ASP 55 Cb 0.13 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1vhc h ASP 55 CO -0.17 0.60 0.05 0.00 -1.72 0.00 0.00 179.24 177.99 1vhc h ALA 56 N 1.54 0.70 -0.45 3.45 0.00 -0.75 -0.83 119.26 122.92 1vhc h ALA 56 Ca 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1vhc h ALA 56 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1vhc h ALA 56 CO -0.05 0.47 0.19 0.82 0.00 0.00 0.00 179.25 180.68 1vhc h ILE 57 N 0.76 1.20 -0.62 0.00 2.04 -0.70 -1.41 117.51 118.78 1vhc h ILE 57 Ca 0.15 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1vhc h ILE 57 Cb 0.46 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1vhc h ILE 57 CO 0.02 0.23 0.37 -0.09 0.00 0.00 0.00 178.15 178.68 1vhc h ARG 58 N 0.58 0.85 -0.27 2.37 2.43 -1.28 -0.76 114.38 118.30 1vhc h ARG 58 Ca 0.15 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1vhc h ARG 58 Cb 0.18 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1vhc h ARG 58 CO -0.01 0.61 0.03 -0.07 -1.51 0.00 0.00 179.97 179.01 1vhc h LEU 59 N 0.84 0.44 -0.53 3.80 3.38 -1.00 -2.54 115.31 119.70 1vhc h LEU 59 Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1vhc h LEU 59 Cb -0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1vhc h LEU 59 CO -0.04 0.60 0.24 0.25 0.09 0.00 0.00 178.44 179.58 1vhc h LEU 60 N 0.25 0.71 -1.40 1.67 5.85 -1.16 -2.20 115.31 119.03 1vhc h LEU 60 Ca 0.08 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1vhc h LEU 60 Cb 0.36 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1vhc h LEU 60 CO 0.01 0.66 0.39 -0.09 -0.34 0.00 0.00 178.44 179.07 1vhc h ARG 61 N 0.71 0.79 -0.00 1.25 9.65 -1.08 0.81 114.38 126.50 1vhc h ARG 61 Ca 0.18 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.85 1vhc h ARG 61 Cb 0.15 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 1vhc h ARG 61 CO -0.02 0.53 -0.76 0.00 2.80 0.00 0.00 179.97 182.52 1vhc h ALA 62 N 1.62 0.73 0.05 2.80 0.00 -1.26 -2.97 119.26 120.22 1vhc h ALA 62 Ca 0.22 -0.68 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 1vhc h ALA 62 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1vhc h ALA 62 CO -0.05 0.92 -1.93 -1.71 0.00 0.00 0.00 179.25 176.48 1vhc n ASN 63 N -3.67 1.31 -3.49 0.00 2.85 -0.84 -4.53 115.26 106.89 1vhc n ASN 63 Ca -0.01 0.27 -0.27 0.00 -0.11 0.00 0.00 54.58 54.46 1vhc n ASN 63 Cb 0.73 -0.27 -0.10 0.00 1.24 0.00 0.00 39.78 41.38 1vhc n ASN 63 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1vhc n ARG 64 N -3.19 0.82 0.31 1.20 1.74 0.25 -5.00 116.66 112.79 1vhc n ARG 64 Ca -0.26 -3.60 0.19 0.00 -0.77 0.00 0.00 57.85 53.41 1vhc n ARG 64 Cb 1.06 -1.80 1.02 0.00 -1.02 0.00 0.00 32.46 31.71 1vhc n ARG 64 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1vhc h PRO 65 N 5.25 0.00 -0.19 5.56 0.11 -1.72 -1.96 132.00 139.06 1vhc h PRO 65 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1vhc h PRO 65 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1vhc h PRO 65 CO 0.50 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.04 1vhc n ASP 66 N -3.28 3.21 -4.76 -2.05 8.00 -1.26 -4.97 116.55 111.44 1vhc n ASP 66 Ca -0.02 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.11 1vhc n ASP 66 Cb 0.19 -0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.21 1vhc n ASP 66 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1vhc s PHE 67 N -1.78 2.50 -0.27 1.24 5.36 -0.74 -5.00 117.98 119.29 1vhc s PHE 67 Ca 0.33 1.46 -0.21 0.00 -0.96 0.00 0.00 56.93 57.55 1vhc s PHE 67 Cb 0.21 -3.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 1vhc s PHE 67 CO 0.31 -2.28 0.67 -1.17 -1.46 0.00 0.00 175.22 171.29 1vhc s LEU 68 N -3.50 4.08 -0.13 6.12 2.96 -0.80 -4.98 118.68 122.43 1vhc s LEU 68 Ca 0.70 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 55.33 1vhc s LEU 68 Cb -0.34 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.45 1vhc s LEU 68 CO 0.40 -0.43 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.21 1vhc s ILE 69 N 2.61 1.58 0.02 6.68 1.01 -1.26 -1.59 121.20 130.26 1vhc s ILE 69 Ca 0.28 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1vhc s ILE 69 Cb -0.15 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1vhc s ILE 69 CO 0.09 0.46 0.02 0.00 0.00 0.00 0.00 174.94 175.51 1vhc s ALA 70 N 1.15 3.34 -0.27 9.38 0.00 0.13 -0.44 121.76 135.04 1vhc s ALA 70 Ca -0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1vhc s ALA 70 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1vhc s ALA 70 CO -0.05 0.67 0.16 0.00 0.00 0.00 0.00 175.76 176.54 1vhc s ALA 71 N -1.17 3.43 0.41 0.00 0.00 -0.10 -1.21 121.76 123.12 1vhc s ALA 71 Ca 0.22 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1vhc s ALA 71 Cb -0.12 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1vhc s ALA 71 CO 0.13 -0.53 0.34 0.20 0.00 0.00 0.00 175.76 175.90 1vhc s GLY 72 N 1.71 2.17 -1.57 0.00 0.00 -0.68 -1.10 107.32 107.85 1vhc s GLY 72 Ca 0.07 -1.92 -0.15 0.00 0.00 0.00 0.00 44.72 42.72 1vhc s GLY 72 CO 0.09 -1.73 0.92 2.41 0.00 0.00 0.00 173.10 174.78 1vhc n THR 73 N -1.49 -1.85 -2.80 0.90 -1.04 -1.00 -0.30 114.28 106.71 1vhc n THR 73 Ca 0.03 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1vhc n THR 73 Cb 0.62 -2.55 -0.04 0.00 -1.82 0.00 0.00 70.33 66.54 1vhc n THR 73 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1vhc s VAL 74 N -3.32 4.57 -0.12 12.58 1.01 -1.20 -4.46 120.40 129.46 1vhc s VAL 74 Ca 0.66 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1vhc s VAL 74 Cb -0.34 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 1vhc s VAL 74 CO 0.86 -0.56 0.13 0.18 0.00 0.00 0.00 175.10 175.71 1vhc n LEU 75 N 6.82 0.11 -4.27 3.92 4.77 -1.26 -4.75 117.00 122.35 1vhc n LEU 75 Ca 0.07 -0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 55.58 1vhc n LEU 75 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1vhc n LEU 75 CO 0.59 0.03 -0.42 0.42 -1.33 0.00 0.00 177.39 176.68 1vhc s THR 76 N -1.69 1.29 0.20 -5.08 -4.23 -1.26 -5.00 115.64 99.87 1vhc s THR 76 Ca 0.00 -2.05 -0.10 0.00 -1.18 0.00 0.00 61.69 58.36 1vhc s THR 76 Cb 0.03 -1.85 0.12 0.00 1.34 0.00 0.00 72.50 72.15 1vhc s THR 76 CO 0.16 -0.68 1.78 0.00 -0.54 0.00 0.00 174.62 175.34 1vhc h ALA 77 N 2.82 0.80 -0.92 3.99 0.00 -1.97 -1.99 119.26 121.99 1vhc h ALA 77 Ca -0.37 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.66 1vhc h ALA 77 Cb 1.20 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1vhc h ALA 77 CO 0.62 -0.06 0.57 0.93 0.00 0.00 0.00 179.25 181.30 1vhc h GLU 78 N 0.55 0.95 -0.26 0.00 4.39 -2.00 -1.58 114.58 116.64 1vhc h GLU 78 Ca 0.28 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 1vhc h GLU 78 Cb 0.23 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1vhc h GLU 78 CO -0.21 0.63 -0.18 1.96 -1.16 0.00 0.00 179.01 180.05 1vhc h GLN 79 N 0.98 0.45 0.23 2.33 4.20 -1.85 -1.97 115.11 119.48 1vhc h GLN 79 Ca 0.42 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1vhc h GLN 79 Cb 0.30 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1vhc h GLN 79 CO -0.22 0.62 -0.11 0.28 -0.67 0.00 0.00 178.83 178.73 1vhc h VAL 80 N 0.41 0.84 -0.58 -0.54 2.07 -0.60 -0.76 116.25 117.09 1vhc h VAL 80 Ca 0.07 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1vhc h VAL 80 Cb 0.55 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1vhc h VAL 80 CO 0.04 0.08 0.25 0.58 0.02 0.00 0.00 177.57 178.54 1vhc h VAL 81 N -0.48 0.85 -0.56 2.57 2.07 -1.25 -2.10 116.25 117.34 1vhc h VAL 81 Ca -0.03 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1vhc h VAL 81 Cb 0.36 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1vhc h VAL 81 CO 0.05 0.09 -0.05 0.25 0.02 0.00 0.00 177.57 177.92 1vhc h LEU 82 N 0.47 1.00 -1.00 2.57 5.85 -1.35 -1.62 115.31 121.24 1vhc h LEU 82 Ca 0.28 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1vhc h LEU 82 Cb 0.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1vhc h LEU 82 CO -0.25 1.08 -0.01 0.00 -0.34 0.00 0.00 178.44 178.93 1vhc h ALA 83 N 1.01 1.17 -0.08 1.25 0.00 -0.89 -0.37 119.26 121.34 1vhc h ALA 83 Ca 0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1vhc h ALA 83 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vhc h ALA 83 CO 0.04 0.54 -0.23 -0.22 0.00 0.00 0.00 179.25 179.37 1vhc h LYS 84 N 0.67 0.31 0.00 0.00 3.64 -1.23 -2.18 116.57 117.78 1vhc h LYS 84 Ca 0.13 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1vhc h LYS 84 Cb 0.43 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1vhc h LYS 84 CO 0.02 0.83 0.00 0.66 -2.27 0.00 0.00 179.45 178.69 1vhc h SER 85 N -0.17 0.00 1.50 4.20 4.64 -1.14 -2.24 113.55 120.34 1vhc h SER 85 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1vhc h SER 85 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1vhc h SER 85 CO 0.05 0.00 -0.38 0.28 -0.87 0.00 0.00 176.83 175.91 1vhc h SER 86 N 0.00 0.00 0.00 4.97 0.02 -1.03 -3.48 113.55 114.03 1vhc h SER 86 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vhc h SER 86 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1vhc h SER 86 CO 0.00 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.68 1vhc n GLY 87 N 1.06 1.46 3.77 -3.77 0.00 -0.84 -3.48 105.19 103.38 1vhc n GLY 87 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1vhc n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vhc s ALA 88 N -2.00 3.26 0.14 4.61 0.00 -0.83 -4.91 121.76 122.02 1vhc s ALA 88 Ca 0.00 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 1vhc s ALA 88 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1vhc s ALA 88 CO 0.00 -0.30 1.41 -0.44 0.00 0.00 0.00 175.76 176.43 1vhc h ASP 89 N 3.14 0.88 -5.23 0.00 3.32 -1.09 -3.45 116.42 113.99 1vhc h ASP 89 Ca -0.48 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.03 1vhc h ASP 89 Cb 1.22 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 40.42 1vhc h ASP 89 CO 0.64 1.27 -0.11 0.72 -1.72 0.00 0.00 179.24 180.04 1vhc s PHE 90 N -4.02 0.33 -0.07 4.55 -0.71 -1.15 -4.47 117.98 112.43 1vhc s PHE 90 Ca -0.10 -0.70 0.01 0.00 -1.04 0.00 0.00 56.93 55.11 1vhc s PHE 90 Cb 0.10 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1vhc s PHE 90 CO 0.88 -0.99 -0.08 0.08 -1.34 0.00 0.00 175.22 173.77 1vhc s VAL 91 N -4.01 3.55 -0.04 -2.49 1.01 -0.22 -0.92 120.40 117.28 1vhc s VAL 91 Ca 0.22 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1vhc s VAL 91 Cb -0.01 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1vhc s VAL 91 CO 0.08 0.59 -0.22 -0.69 0.00 0.00 0.00 175.10 174.86 1vhc s VAL 92 N -0.64 1.80 0.11 2.92 1.01 -0.25 -0.61 120.40 124.73 1vhc s VAL 92 Ca 0.10 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.20 1vhc s VAL 92 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1vhc s VAL 92 CO 0.02 0.51 -0.15 0.42 0.00 0.00 0.00 175.10 175.89 1vhc s THR 93 N -0.23 1.38 0.13 3.92 -4.23 -1.18 -2.38 115.64 113.05 1vhc s THR 93 Ca 0.00 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1vhc s THR 93 Cb -0.11 -1.47 -0.20 0.00 1.34 0.00 0.00 72.50 72.05 1vhc s THR 93 CO 0.02 -0.32 1.29 1.55 -0.54 0.00 0.00 174.62 176.61 1vhc h PRO 94 N 3.72 0.11 0.00 3.99 0.13 -1.91 -0.75 132.00 137.29 1vhc h PRO 94 Ca -0.41 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1vhc h PRO 94 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1vhc h PRO 94 CO 0.47 1.02 0.00 0.41 -0.23 0.00 0.00 178.00 179.67 1vhc n GLY 95 N 1.22 4.85 3.05 1.56 0.00 -1.26 -4.15 105.19 110.46 1vhc n GLY 95 Ca -0.03 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1vhc n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vhc s LEU 96 N 0.00 2.71 -0.40 0.99 0.20 -1.11 -2.57 118.68 118.49 1vhc s LEU 96 Ca 0.00 -1.04 -0.08 0.00 0.69 0.00 0.00 54.13 53.70 1vhc s LEU 96 Cb 0.00 -1.42 0.08 0.00 -0.43 0.00 0.00 46.19 44.42 1vhc s LEU 96 CO 0.00 -0.13 0.23 0.21 -0.29 0.00 0.00 176.35 176.37 1vhc s ASN 97 N 1.25 5.54 0.41 3.68 3.84 -1.26 -5.00 114.94 123.40 1vhc s ASN 97 Ca -0.03 -1.50 0.23 0.00 0.21 0.00 0.00 52.86 51.77 1vhc s ASN 97 Cb -0.17 -1.95 1.26 0.00 -0.55 0.00 0.00 41.25 39.84 1vhc s ASN 97 CO -0.08 -0.51 1.68 -0.65 -2.79 0.00 0.00 177.10 174.75 1vhc h PRO 98 N 8.34 0.22 -0.16 0.43 0.11 -1.99 -0.51 132.00 138.44 1vhc h PRO 98 Ca -0.22 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1vhc h PRO 98 Cb 1.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1vhc h PRO 98 CO 0.73 0.15 0.08 -0.22 -0.21 0.00 0.00 178.00 178.52 1vhc h LYS 99 N 0.23 0.23 -0.24 1.05 3.64 -1.99 -1.27 116.57 118.22 1vhc h LYS 99 Ca 0.73 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 60.07 1vhc h LYS 99 Cb 2.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 1vhc h LYS 99 CO -0.41 0.26 0.12 0.82 -2.27 0.00 0.00 179.45 177.97 1vhc h ILE 100 N 0.14 1.13 -0.18 2.00 1.08 -1.51 -2.23 117.51 117.94 1vhc h ILE 100 Ca 0.06 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1vhc h ILE 100 Cb 0.11 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1vhc h ILE 100 CO -0.01 0.13 0.10 0.58 -0.69 0.00 0.00 178.15 178.26 1vhc h VAL 101 N 0.26 1.02 -0.41 1.67 2.07 -1.32 -2.03 116.25 117.51 1vhc h VAL 101 Ca 0.08 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1vhc h VAL 101 Cb 0.09 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1vhc h VAL 101 CO -0.01 0.04 0.22 0.50 0.02 0.00 0.00 177.57 178.34 1vhc h LYS 102 N 0.22 0.44 -0.89 1.57 1.63 -1.26 -1.40 116.57 116.88 1vhc h LYS 102 Ca 0.07 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1vhc h LYS 102 Cb -0.01 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 1vhc h LYS 102 CO -0.03 0.29 0.58 1.25 -3.45 0.00 0.00 179.45 178.09 1vhc h LEU 103 N 0.45 0.95 -0.68 5.20 5.85 -1.19 0.44 115.31 126.34 1vhc h LEU 103 Ca 0.17 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 1vhc h LEU 103 Cb 0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1vhc h LEU 103 CO -0.10 0.66 -0.21 0.00 -0.34 0.00 0.00 178.44 178.44 1vhc h GLN 105 N 0.70 0.23 0.00 0.00 4.20 -0.96 0.12 115.11 119.39 1vhc h GLN 105 Ca 0.10 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1vhc h GLN 105 Cb 0.73 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1vhc h GLN 105 CO 0.06 0.71 0.00 -0.25 -0.67 0.00 0.00 178.83 178.67 1vhc n ASP 106 N -3.92 0.00 -0.74 1.46 8.00 0.12 -2.31 116.55 119.16 1vhc n ASP 106 Ca -0.02 0.37 0.07 0.00 0.71 0.00 0.00 54.79 55.92 1vhc n ASP 106 Cb 0.57 -0.46 0.19 0.00 -0.02 0.00 0.00 41.12 41.40 1vhc n ASP 106 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1vhc n LEU 107 N -1.46 3.25 -4.05 0.64 4.77 -0.61 -4.98 117.00 114.57 1vhc n LEU 107 Ca 0.08 -2.30 -0.30 0.00 -0.03 0.00 0.00 56.01 53.46 1vhc n LEU 107 Cb 0.30 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1vhc n LEU 107 CO 0.25 0.72 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.70 1vhc n ASN 108 N 0.24 -1.82 -4.11 -1.43 5.15 -0.88 -4.96 115.26 107.45 1vhc n ASN 108 Ca 0.15 -0.99 -0.33 0.00 -0.60 0.00 0.00 54.58 52.81 1vhc n ASN 108 Cb 0.57 -3.01 -0.15 0.00 -0.53 0.00 0.00 39.78 36.66 1vhc n ASN 108 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1vhc s PHE 109 N -3.66 3.00 0.35 1.20 5.36 -0.02 -5.04 117.98 119.17 1vhc s PHE 109 Ca 0.34 -1.90 -0.29 0.00 -0.96 0.00 0.00 56.93 54.13 1vhc s PHE 109 Cb -0.18 -1.94 -0.11 0.00 -0.34 0.00 0.00 43.02 40.45 1vhc s PHE 109 CO 0.90 -0.83 1.53 -2.14 -1.46 0.00 0.00 175.22 173.22 1vhc s PRO 110 N 1.22 4.11 -0.01 10.12 0.02 -1.26 -4.26 135.00 144.95 1vhc s PRO 110 Ca -0.01 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1vhc s PRO 110 Cb -0.16 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.38 1vhc s PRO 110 CO -0.09 -0.57 -0.00 -1.50 -0.33 0.00 0.00 177.00 174.51 1vhc s ILE 111 N -0.71 0.07 -0.50 2.83 2.07 -1.26 -1.05 121.20 122.65 1vhc s ILE 111 Ca 0.57 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.83 1vhc s ILE 111 Cb -0.47 -0.11 0.13 0.00 0.13 0.00 0.00 42.46 42.14 1vhc s ILE 111 CO 0.57 0.06 0.28 0.42 -1.91 0.00 0.00 174.94 174.36 1vhc s THR 112 N 0.37 3.24 0.63 4.00 -4.23 0.22 -4.94 115.64 114.91 1vhc s THR 112 Ca -0.03 -2.61 -0.12 0.00 -1.18 0.00 0.00 61.69 57.75 1vhc s THR 112 Cb -0.05 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 1vhc s THR 112 CO -0.01 -0.77 1.04 -2.16 -0.54 0.00 0.00 174.62 172.18 1vhc s PRO 113 N 0.46 3.41 0.06 3.99 0.04 -1.26 -3.12 135.00 138.59 1vhc s PRO 113 Ca 0.13 0.88 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 1vhc s PRO 113 Cb -0.22 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1vhc s PRO 113 CO -0.04 -0.72 0.43 0.20 0.04 0.00 0.00 177.00 176.92 1vhc s GLY 114 N -3.78 2.42 0.05 0.56 0.00 -0.29 -1.36 107.32 104.92 1vhc s GLY 114 Ca 0.57 -0.27 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 1vhc s GLY 114 CO 0.50 0.02 -0.04 -1.34 0.00 0.00 0.00 173.10 172.24 1vhc s VAL 115 N -1.30 0.27 0.00 1.40 -7.23 -0.19 -2.76 120.40 110.59 1vhc s VAL 115 Ca 0.31 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1vhc s VAL 115 Cb -0.15 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1vhc s VAL 115 CO 0.17 -0.87 0.19 -0.46 -0.31 0.00 0.00 175.10 173.82 1vhc n ASN 116 N 0.41 0.00 -3.85 4.85 6.94 -1.26 -2.49 115.26 119.87 1vhc n ASN 116 Ca -0.16 -1.00 -0.10 0.00 -0.02 0.00 0.00 54.58 53.30 1vhc n ASN 116 Cb 0.60 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.97 1vhc n ASN 116 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1vhc s ASN 117 N 0.00 0.07 0.00 0.53 2.20 -1.26 -5.05 114.94 111.44 1vhc s ASN 117 Ca 0.00 -1.05 0.00 0.00 -0.94 0.00 0.00 52.86 50.87 1vhc s ASN 117 Cb 0.00 0.60 0.00 0.00 -2.00 0.00 0.00 41.25 39.85 1vhc s ASN 117 CO 0.00 -1.17 0.32 -2.65 -2.94 0.00 0.00 177.10 170.66 1vhc n PRO 118 N -0.41 0.21 0.00 3.55 -0.02 -1.26 -2.01 135.00 135.06 1vhc n PRO 118 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1vhc n PRO 118 Cb 0.62 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1vhc n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vhc n ALA 120 N 1.44 0.00 -0.01 3.55 0.00 -1.26 -1.45 120.51 122.78 1vhc n ALA 120 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1vhc n ALA 120 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1vhc n ALA 120 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1vhc h ILE 121 N 0.00 1.17 -0.27 0.00 2.04 -1.81 -1.79 117.51 116.85 1vhc h ILE 121 Ca 0.00 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 1vhc h ILE 121 Cb 0.00 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1vhc h ILE 121 CO 0.00 0.15 0.04 -0.33 0.00 0.00 0.00 178.15 178.01 1vhc h GLU 122 N -0.08 0.40 -0.09 2.37 5.08 -1.53 -1.55 114.58 119.17 1vhc h GLU 122 Ca 0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1vhc h GLU 122 Cb 0.21 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1vhc h GLU 122 CO -0.00 0.39 0.04 0.82 -1.00 0.00 0.00 179.01 179.27 1vhc h ILE 123 N 0.39 1.12 -0.41 3.13 2.04 -1.79 -1.88 117.51 120.10 1vhc h ILE 123 Ca 0.09 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.69 1vhc h ILE 123 Cb 0.20 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 1vhc h ILE 123 CO 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 178.15 178.13 1vhc h ALA 124 N 0.91 0.24 -0.38 1.87 0.00 -1.02 -2.50 119.26 118.38 1vhc h ALA 124 Ca 0.03 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1vhc h ALA 124 Cb 0.13 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1vhc h ALA 124 CO -0.00 -0.47 -0.15 -0.07 0.00 0.00 0.00 179.25 178.56 1vhc h LEU 125 N -0.03 0.68 -2.94 0.00 3.38 -1.28 -0.90 115.31 114.22 1vhc h LEU 125 Ca 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1vhc h LEU 125 Cb 0.33 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1vhc h LEU 125 CO -0.44 0.84 0.00 1.21 0.09 0.00 0.00 178.44 180.14 1vhc n GLU 126 N -4.16 0.07 -0.21 1.13 4.07 -0.71 -4.21 120.64 116.63 1vhc n GLU 126 Ca 0.01 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.12 1vhc n GLU 126 Cb 0.37 -1.47 0.02 0.00 -0.06 0.00 0.00 31.44 30.30 1vhc n GLU 126 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1vhc n GLY 128 N 1.45 0.23 3.48 8.31 0.00 -1.09 -5.10 105.19 112.49 1vhc n GLY 128 Ca 0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1vhc n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhc s ILE 129 N -0.53 4.17 -0.26 -0.61 1.01 -0.36 -4.97 121.20 119.64 1vhc s ILE 129 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.51 1vhc s ILE 129 Cb 0.04 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1vhc s ILE 129 CO 0.00 0.42 0.24 -1.54 0.00 0.00 0.00 174.94 174.06 1vhc n SER 130 N 4.19 0.29 -4.28 3.58 3.41 -1.26 -3.29 113.62 116.26 1vhc n SER 130 Ca -0.17 -0.65 -0.35 0.00 -0.26 0.00 0.00 58.87 57.45 1vhc n SER 130 Cb 0.52 0.96 -0.14 0.00 -0.26 0.00 0.00 64.21 65.29 1vhc n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vhc s ALA 131 N -1.45 2.78 0.05 7.33 0.00 -1.26 -1.29 121.76 127.93 1vhc s ALA 131 Ca 0.02 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.75 1vhc s ALA 131 Cb 0.04 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 1vhc s ALA 131 CO 0.21 -0.56 -0.09 0.14 0.00 0.00 0.00 175.76 175.46 1vhc s VAL 132 N 1.44 0.71 0.29 0.00 -7.23 -0.67 -4.42 120.40 110.51 1vhc s VAL 132 Ca 0.04 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.72 1vhc s VAL 132 Cb -0.15 -0.81 -0.09 0.00 0.56 0.00 0.00 36.38 35.89 1vhc s VAL 132 CO -0.04 -0.38 1.05 -0.54 -0.31 0.00 0.00 175.10 174.89 1vhc s LYS 133 N -1.80 4.62 -0.38 4.82 -0.14 -0.46 -4.38 119.74 122.02 1vhc s LYS 133 Ca -0.06 1.67 -0.11 0.00 -1.36 0.00 0.00 55.97 56.11 1vhc s LYS 133 Cb -0.09 -3.10 0.03 0.00 -1.68 0.00 0.00 37.83 33.00 1vhc s LYS 133 CO 0.01 0.23 0.22 0.12 -0.76 0.00 0.00 175.35 175.17 1vhc s PHE 134 N -1.26 3.25 -0.06 3.18 5.36 -1.26 -1.02 117.98 126.17 1vhc s PHE 134 Ca 0.46 -0.97 -0.06 0.00 -0.96 0.00 0.00 56.93 55.40 1vhc s PHE 134 Cb -0.29 -2.50 0.02 0.00 -0.34 0.00 0.00 43.02 39.91 1vhc s PHE 134 CO 0.36 -0.66 0.16 0.12 -1.46 0.00 0.00 175.22 173.74 1vhc s PHE 135 N 1.56 -0.18 -0.01 10.12 5.36 -1.04 -1.62 117.98 132.18 1vhc s PHE 135 Ca 0.02 0.43 -0.27 0.00 -0.96 0.00 0.00 56.93 56.15 1vhc s PHE 135 Cb -0.20 0.06 -0.04 0.00 -0.34 0.00 0.00 43.02 42.51 1vhc s PHE 135 CO 0.07 -0.09 0.86 -1.25 -1.46 0.00 0.00 175.22 173.36 1vhc s PRO 136 N 0.10 4.53 0.02 10.12 0.04 -1.26 -4.39 135.00 144.15 1vhc s PRO 136 Ca -0.00 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 1vhc s PRO 136 Cb -0.01 -3.44 -0.16 0.00 0.04 0.00 0.00 34.50 30.93 1vhc s PRO 136 CO 0.00 0.05 1.27 0.00 0.04 0.00 0.00 177.00 178.35 1vhc h ALA 137 N 6.56 -0.51 -0.24 8.56 0.00 -0.77 -2.54 119.26 130.31 1vhc h ALA 137 Ca -0.41 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 1vhc h ALA 137 Cb 1.21 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1vhc h ALA 137 CO 0.74 -0.64 -0.28 0.93 0.00 0.00 0.00 179.25 180.00 1vhc h GLU 138 N -0.81 0.61 0.00 0.00 4.39 -1.62 -0.99 114.58 116.16 1vhc h GLU 138 Ca -0.05 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1vhc h GLU 138 Cb 0.53 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1vhc h GLU 138 CO 0.09 0.94 0.00 0.00 -1.16 0.00 0.00 179.01 178.88 1vhc h ALA 139 N 0.66 1.00 -0.07 3.43 0.00 -1.83 -2.33 119.26 120.12 1vhc h ALA 139 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vhc h ALA 139 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1vhc h ALA 139 CO 0.07 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.75 1vhc n SER 140 N -2.88 1.08 0.00 0.00 7.64 -0.96 -4.87 113.62 113.63 1vhc n SER 140 Ca -0.00 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1vhc n SER 140 Cb 0.22 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1vhc n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vhc n GLY 141 N 1.06 1.10 7.00 0.23 0.00 -0.88 -4.98 105.19 108.72 1vhc n GLY 141 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1vhc n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhc n GLY 142 N -0.35 2.17 0.36 -0.02 0.00 -0.39 -3.06 105.19 103.88 1vhc n GLY 142 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.61 1vhc n GLY 142 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1vhc h VAL 143 N 0.00 1.08 0.00 1.61 2.07 -1.95 -1.63 116.25 117.43 1vhc h VAL 143 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1vhc h VAL 143 Cb 0.00 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1vhc h VAL 143 CO 0.00 0.17 0.00 1.17 0.02 0.00 0.00 177.57 178.93 1vhc n LYS 144 N -4.47 0.15 0.00 1.57 4.81 -1.17 -1.08 118.16 117.96 1vhc n LYS 144 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1vhc n LYS 144 Cb 0.17 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 33.94 1vhc n LYS 144 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1vhc n ILE 146 N 0.72 0.00 -0.04 3.15 5.41 -0.61 -1.86 119.36 126.12 1vhc n ILE 146 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 1vhc n ILE 146 Cb 0.06 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.11 1vhc n ILE 146 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1vhc h LYS 147 N 0.00 0.64 -0.79 0.38 1.57 -1.38 -1.60 116.57 115.40 1vhc h LYS 147 Ca 0.00 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1vhc h LYS 147 Cb 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1vhc h LYS 147 CO 0.00 0.86 0.35 0.00 -0.57 0.00 0.00 179.45 180.09 1vhc h ALA 148 N 1.13 1.14 -0.13 3.86 0.00 -1.62 -3.08 119.26 120.56 1vhc h ALA 148 Ca 0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1vhc h ALA 148 Cb 0.78 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1vhc h ALA 148 CO 0.06 0.64 -0.45 -0.07 0.00 0.00 0.00 179.25 179.43 1vhc h LEU 149 N 1.13 0.34 -1.12 0.00 3.38 -1.76 -2.25 115.31 115.04 1vhc h LEU 149 Ca 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1vhc h LEU 149 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1vhc h LEU 149 CO -0.03 0.75 0.00 -0.07 0.09 0.00 0.00 178.44 179.18 1vhc h LEU 150 N 0.26 0.00 0.32 1.67 3.38 -1.21 -2.26 115.31 117.47 1vhc h LEU 150 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1vhc h LEU 150 Cb 0.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1vhc h LEU 150 CO 0.07 0.00 -0.38 1.23 0.09 0.00 0.00 178.44 179.45 1vhc h GLY 151 N 1.67 -1.14 1.80 0.83 0.00 -1.37 -3.14 103.07 101.72 1vhc h GLY 151 Ca 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 47.33 47.80 1vhc h GLY 151 CO 0.00 -0.34 -0.48 -0.56 0.00 0.00 0.00 176.54 175.15 1vhc h PRO 152 N -0.72 0.00 -2.20 4.80 0.13 -1.75 -3.38 132.00 128.88 1vhc h PRO 152 Ca -0.04 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.42 1vhc h PRO 152 Cb 0.64 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.40 1vhc h PRO 152 CO -0.08 0.28 -0.05 0.66 -0.23 0.00 0.00 178.00 178.58 1vhc n TYR 153 N -3.10 3.56 0.28 1.56 4.01 -0.85 -4.87 117.16 117.75 1vhc n TYR 153 Ca 0.01 -3.40 0.17 0.00 -0.16 0.00 0.00 57.90 54.52 1vhc n TYR 153 Cb 0.67 -0.71 0.79 0.00 -0.31 0.00 0.00 39.34 39.78 1vhc n TYR 153 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vhc h ALA 154 N 3.33 1.05 -0.06 -0.72 0.00 -1.73 -2.84 119.26 118.30 1vhc h ALA 154 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vhc h ALA 154 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vhc h ALA 154 CO 0.96 0.06 0.00 1.04 0.00 0.00 0.00 179.25 181.31 1vhc n GLN 155 N -3.21 1.90 -1.86 0.00 1.13 -1.26 -4.95 117.38 109.14 1vhc n GLN 155 Ca -0.01 -1.32 -0.41 0.00 -1.94 0.00 0.00 57.00 53.32 1vhc n GLN 155 Cb 0.25 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.13 1vhc n GLN 155 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1vhc s LEU 156 N -1.92 4.32 -0.24 1.08 1.43 -1.07 -4.98 118.68 117.30 1vhc s LEU 156 Ca 0.35 2.98 -0.09 0.00 -1.03 0.00 0.00 54.13 56.34 1vhc s LEU 156 Cb 0.20 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1vhc s LEU 156 CO 0.32 -0.83 0.11 -1.10 0.23 0.00 0.00 176.35 175.08 1vhc s GLN 157 N -2.07 3.86 0.00 1.70 -0.21 -0.41 -4.79 119.66 117.74 1vhc s GLN 157 Ca 0.53 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.53 1vhc s GLN 157 Cb -0.45 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.14 1vhc s GLN 157 CO 0.61 -0.06 0.00 -0.89 -2.12 0.00 0.00 175.29 172.83 1vhc n ILE 158 N 4.59 0.00 -3.68 1.08 5.41 -0.33 -1.67 119.36 124.76 1vhc n ILE 158 Ca -0.15 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.47 1vhc n ILE 158 Cb 0.52 -0.01 -0.09 0.00 -0.71 0.00 0.00 39.64 39.35 1vhc n ILE 158 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1vhc s PRO 160 N 0.32 0.60 0.01 0.38 0.02 -1.21 -0.96 135.00 134.16 1vhc s PRO 160 Ca 0.00 0.82 0.00 0.00 0.02 0.00 0.00 61.00 61.84 1vhc s PRO 160 Cb 0.00 0.23 -0.01 0.00 0.02 0.00 0.00 34.50 34.73 1vhc s PRO 160 CO 0.00 -0.10 -0.02 0.99 -0.33 0.00 0.00 177.00 177.54 1vhc s THR 161 N 0.66 0.08 0.00 0.99 2.01 -0.64 -1.34 115.64 117.41 1vhc s THR 161 Ca -0.03 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1vhc s THR 161 Cb -0.05 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1vhc s THR 161 CO -0.04 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.15 1vhc n GLY 162 N 2.06 1.63 2.31 4.40 0.00 -1.26 -0.46 105.19 113.87 1vhc n GLY 162 Ca -0.20 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 1vhc n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhc n GLY 163 N 0.87 0.85 3.72 -0.02 0.00 -1.26 -1.75 105.19 107.60 1vhc n GLY 163 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1vhc n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vhc s ILE 164 N -2.12 4.88 0.22 -0.61 -1.09 -1.26 -4.82 121.20 116.39 1vhc s ILE 164 Ca 0.00 1.86 0.01 0.00 -2.23 0.00 0.00 60.65 60.29 1vhc s ILE 164 Cb 0.00 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1vhc s ILE 164 CO 0.00 0.21 0.28 0.61 -1.23 0.00 0.00 174.94 174.81 1vhc n GLY 165 N 2.86 2.71 0.35 6.18 0.00 -1.26 -4.81 105.19 111.23 1vhc n GLY 165 Ca 0.03 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.48 1vhc n GLY 165 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vhc h LEU 166 N 0.00 0.79 -1.73 0.99 6.46 -2.01 0.06 115.31 119.88 1vhc h LEU 166 Ca -0.17 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 1vhc h LEU 166 Cb 0.76 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1vhc h LEU 166 CO 0.23 0.54 -0.17 1.12 -0.62 0.00 0.00 178.44 179.54 1vhc h HIS 167 N 0.92 0.00 0.00 1.25 2.07 -1.99 -3.30 115.15 114.10 1vhc h HIS 167 Ca 0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 1vhc h HIS 167 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1vhc h HIS 167 CO -0.00 0.17 0.00 0.27 -3.07 0.00 0.00 177.93 175.30 1vhc n ASN 168 N -3.79 1.34 -0.10 3.10 0.23 -0.63 -4.74 115.26 110.66 1vhc n ASN 168 Ca -0.02 -1.57 -0.06 0.00 -0.53 0.00 0.00 54.58 52.40 1vhc n ASN 168 Cb 0.27 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.10 1vhc n ASN 168 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1vhc h ILE 169 N 0.58 1.26 -0.61 1.53 2.10 -1.11 -1.62 117.51 119.63 1vhc h ILE 169 Ca 0.00 -1.15 -0.08 0.00 1.08 0.00 0.00 64.86 64.71 1vhc h ILE 169 Cb 0.49 1.02 -0.02 0.00 -1.09 0.00 0.00 36.82 37.21 1vhc h ILE 169 CO 0.00 0.40 0.08 0.03 -1.08 0.00 0.00 178.15 177.57 1vhc h ARG 170 N 0.72 1.00 -0.64 2.19 3.08 -1.85 -0.12 114.38 118.76 1vhc h ARG 170 Ca 0.12 -0.27 0.09 0.00 0.07 0.00 0.00 59.98 60.00 1vhc h ARG 170 Cb 0.57 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1vhc h ARG 170 CO 0.04 0.94 0.27 -0.44 -1.07 0.00 0.00 179.97 179.71 1vhc h ASP 171 N 0.94 0.31 -0.25 7.04 3.32 -1.61 0.67 116.42 126.84 1vhc h ASP 171 Ca 0.18 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.15 1vhc h ASP 171 Cb 0.44 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1vhc h ASP 171 CO 0.01 0.18 -0.46 1.88 -1.72 0.00 0.00 179.24 179.13 1vhc h TYR 172 N 0.48 0.95 0.00 4.55 -1.99 -1.12 -3.09 116.97 116.75 1vhc h TYR 172 Ca 0.32 -0.34 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1vhc h TYR 172 Cb 0.37 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1vhc h TYR 172 CO -0.14 1.13 0.00 -0.07 -0.00 0.00 0.00 178.16 179.08 1vhc h LEU 173 N 0.50 0.00 -1.41 3.88 3.38 -0.59 -1.63 115.31 119.44 1vhc h LEU 173 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1vhc h LEU 173 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1vhc h LEU 173 CO 0.10 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.43 1vhc h ALA 174 N 2.13 1.52 -2.34 1.53 0.00 -0.78 -3.41 119.26 117.90 1vhc h ALA 174 Ca 0.00 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 1vhc h ALA 174 Cb 0.39 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1vhc h ALA 174 CO 0.00 0.35 0.60 0.42 0.00 0.00 0.00 179.25 180.62 1vhc s ILE 175 N -4.58 4.43 0.37 0.00 1.01 -0.61 -4.96 121.20 116.86 1vhc s ILE 175 Ca -0.04 1.74 0.05 0.00 0.00 0.00 0.00 60.65 62.39 1vhc s ILE 175 Cb 0.15 -4.12 0.22 0.00 0.01 0.00 0.00 42.46 38.73 1vhc s ILE 175 CO 0.72 0.04 1.97 -0.65 0.00 0.00 0.00 174.94 177.03 1vhc h PRO 176 N 7.16 0.61 0.00 2.79 0.11 -1.87 -2.14 132.00 138.66 1vhc h PRO 176 Ca -0.36 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1vhc h PRO 176 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1vhc h PRO 176 CO 0.84 0.49 0.00 0.09 -0.21 0.00 0.00 178.00 179.21 1vhc n ASN 177 N -4.39 0.68 -4.70 -2.05 4.13 -1.26 -4.68 115.26 102.99 1vhc n ASN 177 Ca 0.03 0.66 -0.42 0.00 1.68 0.00 0.00 54.58 56.53 1vhc n ASN 177 Cb 0.13 -0.81 -0.03 0.00 -1.54 0.00 0.00 39.78 37.54 1vhc n ASN 177 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1vhc s ILE 178 N -3.30 4.73 -0.17 2.41 1.01 -0.81 -1.19 121.20 123.89 1vhc s ILE 178 Ca 0.05 1.98 -0.23 0.00 0.00 0.00 0.00 60.65 62.45 1vhc s ILE 178 Cb 0.09 -4.27 -0.20 0.00 0.01 0.00 0.00 42.46 38.09 1vhc s ILE 178 CO 0.40 0.05 0.42 0.58 0.00 0.00 0.00 174.94 176.40 1vhc h VAL 179 N 4.98 1.19 -2.39 2.92 2.07 -1.32 -3.47 116.25 120.22 1vhc h VAL 179 Ca -0.35 -2.09 0.11 0.00 0.82 0.00 0.00 66.70 65.20 1vhc h VAL 179 Cb 1.17 2.44 -0.13 0.00 -1.52 0.00 0.00 31.29 33.26 1vhc h VAL 179 CO 0.82 0.40 0.46 0.00 0.02 0.00 0.00 177.57 179.27 1vhc s ALA 180 N -2.34 -1.74 0.15 1.67 0.00 -1.25 -4.08 121.76 114.16 1vhc s ALA 180 Ca -0.21 0.69 0.11 0.00 0.00 0.00 0.00 51.96 52.54 1vhc s ALA 180 Cb 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1vhc s ALA 180 CO 0.57 -0.80 -0.26 0.00 0.00 0.00 0.00 175.76 175.27 1vhc s GLY 182 N -2.22 2.27 0.09 0.00 0.00 -0.45 -0.94 107.32 106.06 1vhc s GLY 182 Ca 0.16 -0.46 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 1vhc s GLY 182 CO 0.07 0.02 0.40 -0.32 0.00 0.00 0.00 173.10 173.27 1vhc s GLY 183 N -0.59 -0.26 0.00 0.20 0.00 -0.35 -4.42 107.32 101.90 1vhc s GLY 183 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1vhc s GLY 183 CO 0.07 -0.16 0.49 -1.14 0.00 0.00 0.00 173.10 172.35 1vhc n SER 184 N 0.12 0.90 -0.10 1.64 3.41 -1.26 -1.11 113.62 117.22 1vhc n SER 184 Ca -0.17 -1.18 -0.11 0.00 -0.26 0.00 0.00 58.87 57.15 1vhc n SER 184 Cb 0.62 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 1vhc n SER 184 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1vhc h TRP 185 N 0.00 0.56 0.00 7.33 0.09 -1.93 -1.14 115.95 120.86 1vhc h TRP 185 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 58.89 58.90 1vhc h TRP 185 Cb 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 29.16 29.36 1vhc h TRP 185 CO 0.00 0.61 0.00 1.97 0.09 0.00 0.00 178.44 181.11 1vhc n PHE 186 N -4.61 0.00 -2.56 0.12 1.16 -1.26 -2.32 117.46 107.99 1vhc n PHE 186 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.53 1vhc n PHE 186 Cb 0.22 -0.32 0.05 0.00 -1.61 0.00 0.00 39.48 37.82 1vhc n PHE 186 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 1vhc n VAL 187 N -1.32 1.30 -1.41 1.97 0.24 -1.00 -4.59 118.33 113.53 1vhc n VAL 187 Ca 0.07 -2.80 -0.38 0.00 -2.04 0.00 0.00 64.34 59.19 1vhc n VAL 187 Cb 0.13 0.74 0.05 0.00 -1.47 0.00 0.00 33.84 33.28 1vhc n VAL 187 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1vhc n GLU 188 N -0.44 0.44 0.24 7.34 0.00 -0.46 -4.73 120.64 123.03 1vhc n GLU 188 Ca 0.14 0.18 0.07 0.00 0.00 0.00 0.00 57.16 57.55 1vhc n GLU 188 Cb 0.89 -1.72 0.57 0.00 0.00 0.00 0.00 31.44 31.18 1vhc n GLU 188 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1vhc h LYS 189 N 0.06 0.00 -0.25 5.31 3.64 -1.88 -2.49 116.57 120.95 1vhc h LYS 189 Ca -0.45 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.73 1vhc h LYS 189 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1vhc h LYS 189 CO 0.45 0.15 -0.60 -0.22 -2.27 0.00 0.00 179.45 176.96 1vhc h LYS 190 N 0.00 0.85 -0.15 1.90 3.64 -1.97 -0.40 116.57 120.43 1vhc h LYS 190 Ca -0.00 -0.58 0.01 0.00 -1.27 0.00 0.00 60.65 58.81 1vhc h LYS 190 Cb 0.28 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1vhc h LYS 190 CO 0.02 1.20 0.06 -0.07 -2.27 0.00 0.00 179.45 178.39 1vhc h LEU 191 N 0.62 0.07 0.24 5.20 3.38 -1.80 -0.65 115.31 122.37 1vhc h LEU 191 Ca -0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1vhc h LEU 191 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1vhc h LEU 191 CO 0.13 0.07 -0.19 0.40 0.09 0.00 0.00 178.44 178.94 1vhc h ILE 192 N 0.14 0.59 -0.96 1.22 2.04 -1.44 -1.60 117.51 117.48 1vhc h ILE 192 Ca 0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.13 1vhc h ILE 192 Cb 0.03 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 36.62 1vhc h ILE 192 CO -0.06 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.26 1vhc h GLN 193 N -0.44 0.55 -0.04 2.37 4.20 -0.81 -0.72 115.11 120.22 1vhc h GLN 193 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1vhc h GLN 193 Cb 0.39 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1vhc h GLN 193 CO -0.02 0.36 0.00 -1.13 -0.67 0.00 0.00 178.83 177.38 1vhc n SER 194 N -4.62 1.93 -1.57 1.46 3.41 -0.27 -4.95 113.62 109.00 1vhc n SER 194 Ca 0.22 -1.65 -0.15 0.00 -0.26 0.00 0.00 58.87 57.02 1vhc n SER 194 Cb 0.66 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1vhc n SER 194 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1vhc n ASN 195 N 0.50 -4.67 -4.06 4.04 5.03 -0.28 -4.88 115.26 110.95 1vhc n ASN 195 Ca 0.18 0.10 -0.43 0.00 0.87 0.00 0.00 54.58 55.30 1vhc n ASN 195 Cb 0.42 -3.72 0.00 0.00 -1.02 0.00 0.00 39.78 35.46 1vhc n ASN 195 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1vhc n ASN 196 N -0.78 4.47 0.22 6.41 5.15 -0.89 -4.67 115.26 125.16 1vhc n ASN 196 Ca -0.17 -2.91 0.09 0.00 -0.60 0.00 0.00 54.58 50.98 1vhc n ASN 196 Cb 0.60 -1.65 0.48 0.00 -0.53 0.00 0.00 39.78 38.67 1vhc n ASN 196 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 1vhc h TRP 197 N 6.53 0.00 -0.36 1.20 -0.00 -1.89 -2.85 115.95 118.58 1vhc h TRP 197 Ca 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 59.30 1vhc h TRP 197 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.88 1vhc h TRP 197 CO 1.39 0.25 -0.10 -0.44 -0.00 0.00 0.00 178.44 179.55 1vhc h ASP 198 N 0.00 0.70 0.03 -3.49 3.32 -1.99 -0.08 116.42 114.91 1vhc h ASP 198 Ca -0.00 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1vhc h ASP 198 Cb 0.69 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1vhc h ASP 198 CO 0.03 0.91 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.37 1vhc h GLU 199 N 0.49 -0.04 -0.63 3.56 4.57 -1.91 -1.62 114.58 119.00 1vhc h GLU 199 Ca 0.09 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.39 1vhc h GLU 199 Cb 0.61 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 29.09 1vhc h GLU 199 CO 0.04 0.19 -0.25 0.82 -1.18 0.00 0.00 179.01 178.63 1vhc h ILE 200 N -0.27 0.24 -0.47 2.32 2.04 -1.53 0.64 117.51 120.48 1vhc h ILE 200 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1vhc h ILE 200 Cb 0.25 0.24 -0.10 0.00 -0.74 0.00 0.00 36.82 36.48 1vhc h ILE 200 CO 0.01 0.00 -0.32 1.23 0.00 0.00 0.00 178.15 179.07 1vhc h GLY 201 N -0.08 -0.16 0.98 5.37 0.00 -0.82 0.20 103.07 108.56 1vhc h GLY 201 Ca 0.28 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 48.01 1vhc h GLY 201 CO -0.69 -0.21 0.27 -0.09 0.00 0.00 0.00 176.54 175.82 1vhc h ARG 202 N -0.21 0.62 -0.77 4.80 2.43 0.31 -2.48 114.38 119.09 1vhc h ARG 202 Ca 0.20 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1vhc h ARG 202 Cb 0.54 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1vhc h ARG 202 CO -0.59 0.47 0.49 -0.07 -1.51 0.00 0.00 179.97 178.75 1vhc h LEU 203 N 0.60 0.81 -0.18 3.80 3.38 0.14 -2.07 115.31 121.79 1vhc h LEU 203 Ca 0.16 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1vhc h LEU 203 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1vhc h LEU 203 CO -0.03 0.56 0.10 0.58 0.09 0.00 0.00 178.44 179.74 1vhc h VAL 204 N 0.95 1.01 -0.83 1.22 2.07 -0.58 -2.52 116.25 117.57 1vhc h VAL 204 Ca 0.31 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.81 1vhc h VAL 204 Cb 0.01 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1vhc h VAL 204 CO -0.11 0.04 0.51 0.03 0.02 0.00 0.00 177.57 178.06 1vhc h ARG 205 N 0.21 0.91 -0.25 1.57 3.08 -1.12 -2.14 114.38 116.65 1vhc h ARG 205 Ca 0.07 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1vhc h ARG 205 Cb 0.00 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 1vhc h ARG 205 CO -0.04 0.60 -0.08 1.49 -1.07 0.00 0.00 179.97 180.88 1vhc h GLU 206 N 0.94 -0.02 -0.21 0.04 4.81 -0.99 0.10 114.58 119.25 1vhc h GLU 206 Ca 0.36 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 1vhc h GLU 206 Cb 0.14 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1vhc h GLU 206 CO -0.16 -0.02 -0.41 -0.24 -0.73 0.00 0.00 179.01 177.45 1vhc h VAL 207 N -0.02 1.30 -0.61 0.32 3.04 -1.21 -1.16 116.25 117.90 1vhc h VAL 207 Ca 0.12 -1.58 -0.04 0.00 -1.01 0.00 0.00 66.70 64.20 1vhc h VAL 207 Cb 0.21 1.59 -0.03 0.00 -2.01 0.00 0.00 31.29 31.06 1vhc h VAL 207 CO -0.27 0.49 0.25 0.40 -1.01 0.00 0.00 177.57 177.43 1vhc h ILE 208 N 0.41 1.23 0.23 3.17 2.04 -1.25 -1.89 117.51 121.44 1vhc h ILE 208 Ca 0.03 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1vhc h ILE 208 Cb 0.90 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1vhc h ILE 208 CO 0.08 0.28 -0.28 0.44 0.00 0.00 0.00 178.15 178.67 1vhc h ASP 209 N 0.85 -0.75 -0.87 1.72 3.32 0.01 -2.18 116.42 118.52 1vhc h ASP 209 Ca 0.20 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.40 1vhc h ASP 209 Cb 0.20 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1vhc h ASP 209 CO -0.02 -0.39 0.57 0.40 -1.72 0.00 0.00 179.24 178.08 1vhc h ILE 210 N -0.55 1.03 -0.31 0.35 5.03 -1.08 -0.72 117.51 121.26 1vhc h ILE 210 Ca 0.00 -0.32 -0.06 0.00 -0.12 0.00 0.00 64.86 64.36 1vhc h ILE 210 Cb 0.53 0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 34.31 1vhc h ILE 210 CO -0.09 0.17 -0.06 0.40 -0.68 0.00 0.00 178.15 177.90 1vhc h ILE 211 N 0.94 1.21 -0.54 -0.67 2.04 -1.15 -1.73 117.51 117.60 1vhc h ILE 211 Ca 0.38 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1vhc h ILE 211 Cb 0.28 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1vhc h ILE 211 CO -0.15 0.29 0.21 0.11 0.00 0.00 0.00 178.15 178.61 1vhc h LYS 212 N 0.46 0.78 0.00 2.37 1.57 -0.48 -3.52 116.57 117.75 1vhc h LYS 212 Ca 0.09 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1vhc h LYS 212 Cb 0.39 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1vhc h LYS 212 CO 0.02 0.65 0.00 -0.85 -0.57 0.00 0.00 179.45 178.70