#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkv s LEU 2 N 0.00 4.22 0.73 1.04 1.43 -1.26 -5.06 118.68 119.78 3gkv s LEU 2 Ca 0.00 1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 54.18 3gkv s LEU 2 Cb 0.00 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 43.15 3gkv s LEU 2 CO 0.00 -0.30 1.04 -0.94 0.23 0.00 0.00 176.35 176.38 3gkv s SER 3 N 1.06 4.55 0.37 2.29 1.04 -1.26 -4.86 113.70 116.89 3gkv s SER 3 Ca 0.37 0.30 0.04 0.00 0.48 0.00 0.00 55.95 57.14 3gkv s SER 3 Cb -0.17 -0.85 0.70 0.00 0.10 0.00 0.00 66.02 65.81 3gkv s SER 3 CO 0.14 -1.77 2.02 0.44 0.98 0.00 0.00 173.24 175.06 3gkv h ASP 4 N -0.70 0.65 -0.59 7.02 3.45 -1.99 -0.88 116.42 123.37 3gkv h ASP 4 Ca -0.43 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 56.98 3gkv h ASP 4 Cb 1.30 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.88 3gkv h ASP 4 CO 0.54 0.47 0.24 0.50 -1.57 0.00 0.00 179.24 179.42 3gkv h LYS 5 N 0.77 0.89 -0.26 3.56 3.64 -1.99 -1.40 116.57 121.78 3gkv h LYS 5 Ca 0.22 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3gkv h LYS 5 Cb -0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3gkv h LYS 5 CO -0.05 0.76 0.07 -0.44 -2.27 0.00 0.00 179.45 177.52 3gkv h ASP 6 N 0.82 0.38 -0.88 4.20 3.45 -1.74 -1.59 116.42 121.07 3gkv h ASP 6 Ca 0.20 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3gkv h ASP 6 Cb 0.20 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 38.83 3gkv h ASP 6 CO -0.02 0.50 0.57 0.11 -1.57 0.00 0.00 179.24 178.83 3gkv h LYS 7 N 0.25 1.17 -0.53 3.56 1.57 -0.99 -0.71 116.57 120.88 3gkv h LYS 7 Ca 0.08 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3gkv h LYS 7 Cb 0.26 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3gkv h LYS 7 CO -0.00 0.79 0.09 0.00 -0.57 0.00 0.00 179.45 179.77 3gkv h ALA 8 N 1.31 0.71 -0.54 3.86 0.00 -1.18 -0.76 119.26 122.66 3gkv h ALA 8 Ca 0.32 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3gkv h ALA 8 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3gkv h ALA 8 CO -0.07 0.44 0.18 0.00 0.00 0.00 0.00 179.25 179.80 3gkv h ALA 9 N 0.99 0.70 -0.27 0.00 0.00 -0.88 -0.50 119.26 119.30 3gkv h ALA 9 Ca 0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gkv h ALA 9 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gkv h ALA 9 CO 0.01 0.36 -0.02 0.28 0.00 0.00 0.00 179.25 179.87 3gkv h VAL 10 N 0.74 1.27 -0.79 0.00 2.07 -1.01 -0.82 116.25 117.71 3gkv h VAL 10 Ca 0.17 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.72 3gkv h VAL 10 Cb 0.27 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3gkv h VAL 10 CO -0.01 0.31 0.51 0.03 0.02 0.00 0.00 177.57 178.44 3gkv h ARG 11 N 0.25 1.04 -0.39 1.57 3.08 -1.04 0.22 114.38 119.12 3gkv h ARG 11 Ca 0.07 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3gkv h ARG 11 Cb 0.46 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3gkv h ARG 11 CO 0.02 0.70 0.04 0.00 -1.07 0.00 0.00 179.97 179.65 3gkv h ALA 12 N 1.28 0.52 -0.07 0.04 0.00 -1.01 -0.54 119.26 119.49 3gkv h ALA 12 Ca 0.29 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gkv h ALA 12 Cb -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3gkv h ALA 12 CO -0.06 0.26 0.03 1.25 0.00 0.00 0.00 179.25 180.73 3gkv h LEU 13 N 0.50 0.09 -1.32 0.00 5.85 -0.94 -2.51 115.31 116.97 3gkv h LEU 13 Ca 0.11 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3gkv h LEU 13 Cb 0.41 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3gkv h LEU 13 CO 0.01 0.21 0.47 -0.25 -0.34 0.00 0.00 178.44 178.54 3gkv h TRP 14 N -0.03 0.86 -1.01 1.25 2.91 -0.88 0.08 115.95 119.14 3gkv h TRP 14 Ca 0.02 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.14 3gkv h TRP 14 Cb 0.14 -0.29 -0.07 0.00 -0.51 0.00 0.00 29.16 28.43 3gkv h TRP 14 CO -0.03 0.53 0.65 1.03 -1.03 0.00 0.00 178.44 179.59 3gkv h SER 15 N 0.92 1.02 0.04 2.65 0.87 -0.82 0.23 113.55 118.45 3gkv h SER 15 Ca 0.27 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.60 3gkv h SER 15 Cb -0.04 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3gkv h SER 15 CO -0.07 0.63 -1.00 0.11 -0.53 0.00 0.00 176.83 175.97 3gkv h LYS 16 N 1.14 0.61 0.00 2.24 1.57 -0.72 -3.39 116.57 118.02 3gkv h LYS 16 Ca 0.45 -0.71 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3gkv h LYS 16 Cb 0.24 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3gkv h LYS 16 CO -0.19 1.30 -0.92 0.44 -0.57 0.00 0.00 179.45 179.50 3gkv n ILE 17 N -3.93 0.00 0.01 1.86 -5.35 -0.13 -4.55 119.36 107.27 3gkv n ILE 17 Ca -0.12 -0.05 0.20 0.00 -0.27 0.00 0.00 62.75 62.51 3gkv n ILE 17 Cb 0.87 0.99 0.69 0.00 -1.74 0.00 0.00 39.64 40.45 3gkv n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3gkv h GLY 18 N 4.55 0.00 1.74 3.28 0.00 -0.74 -0.83 103.07 111.07 3gkv h GLY 18 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3gkv h GLY 18 CO 0.00 0.00 0.10 0.07 0.00 0.00 0.00 176.54 176.71 3gkv h LYS 19 N 0.00 0.00 -0.54 4.80 2.10 -1.82 -1.86 116.57 119.25 3gkv h LYS 19 Ca 0.24 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.85 3gkv h LYS 19 Cb 0.97 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.28 3gkv h LYS 19 CO -0.00 0.00 0.05 0.43 -2.00 0.00 0.00 179.45 177.93 3gkv n SER 20 N -4.06 5.15 -0.23 7.07 7.64 -0.32 -4.69 113.62 124.18 3gkv n SER 20 Ca -0.00 -3.03 0.03 0.00 1.01 0.00 0.00 58.87 56.88 3gkv n SER 20 Cb 0.21 -0.67 0.15 0.00 -1.01 0.00 0.00 64.21 62.89 3gkv n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gkv h ALA 21 N 3.25 0.93 -0.26 -0.43 0.00 -1.43 -0.67 119.26 120.66 3gkv h ALA 21 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gkv h ALA 21 Cb 1.94 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 3gkv h ALA 21 CO 0.48 -0.19 0.16 -0.44 0.00 0.00 0.00 179.25 179.26 3gkv h ASP 22 N 0.43 0.30 -0.60 0.00 3.45 -1.84 -0.99 116.42 117.18 3gkv h ASP 22 Ca 0.36 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.75 3gkv h ASP 22 Cb 0.50 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.17 3gkv h ASP 22 CO -0.36 0.25 0.21 0.00 -1.57 0.00 0.00 179.24 177.77 3gkv h ALA 23 N 1.07 0.79 -0.66 3.45 0.00 -1.74 -1.99 119.26 120.17 3gkv h ALA 23 Ca 0.09 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3gkv h ALA 23 Cb -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3gkv h ALA 23 CO -0.02 0.44 0.40 0.82 0.00 0.00 0.00 179.25 180.89 3gkv h ILE 24 N 0.85 1.05 -0.22 0.00 2.04 -0.84 -1.71 117.51 118.68 3gkv h ILE 24 Ca 0.20 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3gkv h ILE 24 Cb 0.26 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3gkv h ILE 24 CO -0.01 0.14 0.04 1.23 0.00 0.00 0.00 178.15 179.55 3gkv h GLY 25 N 0.76 0.39 0.74 5.37 0.00 -0.93 0.72 103.07 110.13 3gkv h GLY 25 Ca 0.28 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.40 3gkv h GLY 25 CO -0.13 0.24 0.44 -0.57 0.00 0.00 0.00 176.54 176.53 3gkv h ASN 26 N 0.17 0.69 -0.32 0.19 -1.24 -1.22 -1.05 115.58 112.81 3gkv h ASN 26 Ca 0.07 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.02 3gkv h ASN 26 Cb 0.32 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 3gkv h ASN 26 CO 0.00 0.45 -0.11 -0.78 -1.29 0.00 0.00 177.43 175.71 3gkv h ASP 27 N 0.83 0.65 -0.40 1.15 -0.00 -1.09 -1.26 116.42 116.30 3gkv h ASP 27 Ca 0.32 -0.39 -0.05 0.00 -0.00 0.00 0.00 57.03 56.91 3gkv h ASP 27 Cb 0.14 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.27 3gkv h ASP 27 CO -0.16 0.89 0.05 0.00 -0.00 0.00 0.00 179.24 180.01 3gkv h ALA 28 N 0.78 0.53 -0.56 -0.78 0.00 -0.61 -1.02 119.26 117.59 3gkv h ALA 28 Ca 0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3gkv h ALA 28 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3gkv h ALA 28 CO 0.04 0.25 -0.09 1.25 0.00 0.00 0.00 179.25 180.71 3gkv h LEU 29 N 0.51 1.04 -0.56 0.00 5.85 -1.20 -1.21 115.31 119.74 3gkv h LEU 29 Ca 0.12 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3gkv h LEU 29 Cb 0.39 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3gkv h LEU 29 CO 0.01 1.14 0.31 0.28 -0.34 0.00 0.00 178.44 179.84 3gkv h SER 30 N 0.93 0.69 -0.32 1.25 0.02 -1.04 -2.04 113.55 113.04 3gkv h SER 30 Ca 0.15 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 3gkv h SER 30 Cb 0.66 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3gkv h SER 30 CO 0.05 0.58 -0.18 0.03 -1.14 0.00 0.00 176.83 176.16 3gkv h ARG 31 N 0.75 0.69 -0.47 3.45 3.08 -1.06 -2.88 114.38 117.95 3gkv h ARG 31 Ca 0.20 -0.31 0.06 0.00 0.07 0.00 0.00 59.98 59.99 3gkv h ARG 31 Cb 0.03 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 3gkv h ARG 31 CO -0.03 0.91 0.18 1.98 -1.07 0.00 0.00 179.97 181.94 3gkv h MET 32 N 0.46 0.35 -0.41 0.04 4.05 -1.00 0.20 114.93 118.61 3gkv h MET 32 Ca 0.07 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 3gkv h MET 32 Cb 0.72 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 3gkv h MET 32 CO 0.05 0.23 0.05 0.82 0.23 0.00 0.00 176.91 178.30 3gkv h ILE 33 N 0.36 1.20 0.02 1.77 2.04 -1.36 -0.11 117.51 121.43 3gkv h ILE 33 Ca 0.22 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3gkv h ILE 33 Cb 0.21 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3gkv h ILE 33 CO -0.22 0.27 -0.14 0.58 0.00 0.00 0.00 178.15 178.65 3gkv h VAL 34 N 0.61 1.73 0.02 1.67 2.07 -1.24 -3.28 116.25 117.82 3gkv h VAL 34 Ca 0.13 -2.31 -0.20 0.00 0.82 0.00 0.00 66.70 65.14 3gkv h VAL 34 Cb 0.30 3.29 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 3gkv h VAL 34 CO 0.00 0.61 -0.94 0.58 0.02 0.00 0.00 177.57 177.85 3gkv h VAL 35 N -0.86 1.60 -2.58 2.57 2.07 -0.62 -3.35 116.25 115.08 3gkv h VAL 35 Ca -0.02 -2.98 -0.61 0.00 0.82 0.00 0.00 66.70 63.91 3gkv h VAL 35 Cb 1.08 2.65 -0.42 0.00 -1.52 0.00 0.00 31.29 33.09 3gkv h VAL 35 CO 0.03 0.86 -0.64 -1.22 0.02 0.00 0.00 177.57 176.62 3gkv n TYR 36 N -3.52 2.96 -0.15 1.57 4.02 -0.06 -4.96 117.16 117.03 3gkv n TYR 36 Ca -0.02 -4.14 0.28 0.00 -0.01 0.00 0.00 57.90 54.01 3gkv n TYR 36 Cb 0.86 -0.53 0.70 0.00 -0.02 0.00 0.00 39.34 40.36 3gkv n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3gkv h PRO 37 N 4.78 0.00 0.00 -0.72 0.11 -1.71 -0.35 132.00 134.11 3gkv h PRO 37 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3gkv h PRO 37 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3gkv h PRO 37 CO 0.73 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 177.96 3gkv h GLN 38 N 0.00 0.00 0.00 1.05 -0.00 -1.91 -1.76 115.11 112.49 3gkv h GLN 38 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.06 3gkv h GLN 38 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.39 3gkv h GLN 38 CO -0.00 0.00 -0.26 0.25 -0.00 0.00 0.00 178.83 178.82 3gkv n THR 39 N -2.84 0.41 0.04 1.86 -2.24 -0.14 -4.06 114.28 107.29 3gkv n THR 39 Ca -0.01 -0.23 0.02 0.00 -2.27 0.00 0.00 64.05 61.55 3gkv n THR 39 Cb 0.13 -0.36 0.36 0.00 -2.10 0.00 0.00 70.33 68.37 3gkv n THR 39 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gkv h LYS 40 N 0.00 0.44 -0.84 -0.78 3.64 -1.49 -2.88 116.57 114.66 3gkv h LYS 40 Ca 0.00 -0.08 0.21 0.00 -1.27 0.00 0.00 60.65 59.51 3gkv h LYS 40 Cb 0.70 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 3gkv h LYS 40 CO 0.00 0.45 0.57 0.00 -2.27 0.00 0.00 179.45 178.20 3gkv h THR 41 N 0.43 0.66 0.00 1.00 1.03 -1.77 0.38 112.91 114.65 3gkv h THR 41 Ca 0.10 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.41 3gkv h THR 41 Cb 0.24 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 67.70 3gkv h THR 41 CO 0.00 0.05 0.00 1.88 -0.01 0.00 0.00 175.52 177.44 3gkv h TYR 42 N 0.25 0.00 -0.10 0.00 0.05 -1.80 -2.88 116.97 112.50 3gkv h TYR 42 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 3gkv h TYR 42 Cb 1.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.00 3gkv h TYR 42 CO -0.00 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.30 3gkv n PHE 43 N -2.69 0.12 0.33 4.88 3.01 0.09 -4.71 117.46 118.50 3gkv n PHE 43 Ca 0.01 -0.17 0.22 0.00 1.01 0.00 0.00 57.45 58.52 3gkv n PHE 43 Cb 0.26 -0.01 1.16 0.00 -0.01 0.00 0.00 39.48 40.88 3gkv n PHE 43 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gkv h SER 44 N 1.59 0.00 0.84 4.37 4.64 -1.25 -1.19 113.55 122.56 3gkv h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gkv h SER 44 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3gkv h SER 44 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3gkv n HIS 45 N -3.11 0.86 -2.64 4.77 1.44 -1.26 -4.74 115.22 110.55 3gkv n HIS 45 Ca -0.03 0.33 -0.36 0.00 -2.01 0.00 0.00 57.72 55.65 3gkv n HIS 45 Cb 0.09 -1.03 -0.05 0.00 0.12 0.00 0.00 29.99 29.13 3gkv n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3gkv s TRP 46 N -3.30 3.39 -0.93 -1.40 0.51 -0.45 -4.95 118.94 111.81 3gkv s TRP 46 Ca 0.05 1.68 0.16 0.00 -2.12 0.00 0.00 56.10 55.87 3gkv s TRP 46 Cb 0.10 -3.04 0.70 0.00 -0.81 0.00 0.00 33.47 30.41 3gkv s TRP 46 CO 0.43 -0.34 1.52 -0.35 -0.51 0.00 0.00 176.95 177.69 3gkv n PRO 47 N 0.05 0.03 -3.43 4.98 -0.04 -1.26 -4.54 135.00 130.78 3gkv n PRO 47 Ca 0.04 0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 3gkv n PRO 47 Cb 0.50 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3gkv n PRO 47 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gkv s ASP 48 N -3.18 0.67 -0.06 3.54 -1.08 -1.26 -4.98 116.67 110.32 3gkv s ASP 48 Ca 0.07 0.10 0.09 0.00 -0.52 0.00 0.00 52.55 52.29 3gkv s ASP 48 Cb 0.10 0.82 0.17 0.00 -1.46 0.00 0.00 42.92 42.54 3gkv s ASP 48 CO 0.30 -0.30 1.10 1.33 0.52 0.00 0.00 175.17 178.12 3gkv n VAL 49 N 5.35 1.40 -2.30 1.11 0.24 -1.26 -4.56 118.33 118.32 3gkv n VAL 49 Ca -0.05 -1.51 -0.30 0.00 -2.04 0.00 0.00 64.34 60.44 3gkv n VAL 49 Cb 0.50 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 3gkv n VAL 49 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3gkv s THR 50 N -1.80 4.73 0.05 3.34 -4.23 -1.26 -4.93 115.64 111.54 3gkv s THR 50 Ca 0.16 0.75 -0.37 0.00 -1.18 0.00 0.00 61.69 61.05 3gkv s THR 50 Cb 0.13 -3.82 -0.17 0.00 1.34 0.00 0.00 72.50 69.99 3gkv s THR 50 CO 0.03 -0.90 1.35 -2.65 -0.54 0.00 0.00 174.62 171.91 3gkv n PRO 51 N -2.19 1.06 -0.31 3.99 -0.02 -1.26 -0.97 135.00 135.30 3gkv n PRO 51 Ca 0.04 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3gkv n PRO 51 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3gkv n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gkv n GLY 52 N 2.57 0.82 3.65 -1.23 0.00 -1.26 -5.03 105.19 104.71 3gkv n GLY 52 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 3gkv n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gkv n SER 53 N 0.00 2.44 0.24 1.61 2.88 -0.14 -4.91 113.62 115.74 3gkv n SER 53 Ca 0.00 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.79 3gkv n SER 53 Cb 0.00 -1.38 0.59 0.00 -0.75 0.00 0.00 64.21 62.66 3gkv n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3gkv h PRO 54 N 3.95 0.00 -0.23 -1.46 0.13 -1.90 -2.23 132.00 130.25 3gkv h PRO 54 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.49 3gkv h PRO 54 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3gkv h PRO 54 CO 0.74 0.19 -0.62 0.45 -0.23 0.00 0.00 178.00 178.53 3gkv h HIS 55 N 0.00 1.04 -0.62 1.56 3.86 -1.91 -1.52 115.15 117.56 3gkv h HIS 55 Ca -0.00 -0.40 -0.08 0.00 -1.16 0.00 0.00 60.37 58.73 3gkv h HIS 55 Cb 0.51 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3gkv h HIS 55 CO 0.00 1.22 0.08 0.82 0.86 0.00 0.00 177.93 180.91 3gkv h ILE 56 N 0.60 1.26 -0.43 2.45 2.04 -1.71 0.17 117.51 121.89 3gkv h ILE 56 Ca -0.01 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 3gkv h ILE 56 Cb 1.23 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3gkv h ILE 56 CO 0.13 0.39 0.13 0.50 0.00 0.00 0.00 178.15 179.30 3gkv h LYS 57 N 0.96 0.67 -0.50 2.37 3.64 -1.34 0.13 116.57 122.49 3gkv h LYS 57 Ca 0.19 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3gkv h LYS 57 Cb 0.46 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3gkv h LYS 57 CO 0.02 0.65 0.11 0.00 -2.27 0.00 0.00 179.45 177.96 3gkv h ALA 58 N 0.98 0.67 -0.36 5.00 0.00 -1.16 -2.71 119.26 121.68 3gkv h ALA 58 Ca 0.14 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3gkv h ALA 58 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3gkv h ALA 58 CO -0.00 0.37 -0.17 1.25 0.00 0.00 0.00 179.25 180.70 3gkv h HIS 59 N 0.70 0.72 -0.78 0.00 -0.00 -0.70 -2.67 115.15 112.43 3gkv h HIS 59 Ca 0.16 -0.14 0.14 0.00 -0.00 0.00 0.00 60.37 60.53 3gkv h HIS 59 Cb 0.35 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.53 3gkv h HIS 59 CO 0.02 0.78 0.52 0.78 -0.00 0.00 0.00 177.93 180.03 3gkv h GLY 60 N 0.98 0.83 0.98 5.26 0.00 -0.42 0.47 103.07 111.17 3gkv h GLY 60 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 3gkv h GLY 60 CO 0.04 0.08 0.22 0.50 0.00 0.00 0.00 176.54 177.38 3gkv h LYS 61 N 0.49 0.82 -0.35 4.80 1.57 -1.36 -2.47 116.57 120.08 3gkv h LYS 61 Ca 0.38 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3gkv h LYS 61 Cb 0.78 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3gkv h LYS 61 CO -0.14 0.71 0.03 0.87 -0.57 0.00 0.00 179.45 180.36 3gkv h LYS 62 N 0.75 0.59 -0.21 3.15 1.57 -0.96 -1.61 116.57 119.84 3gkv h LYS 62 Ca 0.18 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3gkv h LYS 62 Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3gkv h LYS 62 CO -0.02 0.68 0.04 0.28 -0.57 0.00 0.00 179.45 179.86 3gkv h VAL 63 N 0.41 0.90 0.00 0.50 2.07 -1.04 -0.93 116.25 118.17 3gkv h VAL 63 Ca 0.10 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3gkv h VAL 63 Cb 0.39 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3gkv h VAL 63 CO 0.01 0.02 0.00 0.24 0.02 0.00 0.00 177.57 177.86 3gkv h MET 64 N 0.12 0.00 -0.11 1.57 2.86 -1.43 -1.12 114.93 116.82 3gkv h MET 64 Ca 0.10 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 3gkv h MET 64 Cb 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3gkv h MET 64 CO -0.13 0.00 -0.63 0.78 1.06 0.00 0.00 176.91 177.99 3gkv h GLY 65 N 2.40 0.44 1.09 8.32 0.00 -0.60 0.71 103.07 115.44 3gkv h GLY 65 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 3gkv h GLY 65 CO 0.00 0.50 0.05 -1.33 0.00 0.00 0.00 176.54 175.76 3gkv h GLY 66 N 1.26 1.19 1.01 4.60 0.00 -0.01 0.48 103.07 111.59 3gkv h GLY 66 Ca -0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.43 3gkv h GLY 66 CO 0.11 0.77 0.14 -2.22 0.00 0.00 0.00 176.54 175.34 3gkv h ILE 67 N 1.01 1.25 -0.89 2.60 1.08 -1.05 0.04 117.51 121.55 3gkv h ILE 67 Ca 0.19 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 63.75 3gkv h ILE 67 Cb 0.51 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.96 3gkv h ILE 67 CO 0.02 0.33 0.49 0.00 -0.69 0.00 0.00 178.15 178.30 3gkv h ALA 68 N 1.02 1.18 -0.47 1.87 0.00 -0.56 -0.26 119.26 122.04 3gkv h ALA 68 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gkv h ALA 68 Cb 0.34 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gkv h ALA 68 CO 0.00 0.66 0.19 1.25 0.00 0.00 0.00 179.25 181.35 3gkv h LEU 69 N 1.25 0.65 -1.21 0.00 5.85 -0.63 -1.43 115.31 119.78 3gkv h LEU 69 Ca 0.31 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gkv h LEU 69 Cb 0.03 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3gkv h LEU 69 CO -0.05 0.64 0.51 0.00 -0.34 0.00 0.00 178.44 179.19 3gkv h ALA 70 N 1.03 1.42 -0.60 1.25 0.00 -0.05 -0.03 119.26 122.29 3gkv h ALA 70 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3gkv h ALA 70 Cb 0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gkv h ALA 70 CO -0.01 0.53 0.18 0.28 0.00 0.00 0.00 179.25 180.23 3gkv h VAL 71 N 1.06 1.24 0.00 0.00 2.07 -0.64 0.58 116.25 120.56 3gkv h VAL 71 Ca 0.28 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3gkv h VAL 71 Cb -0.10 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3gkv h VAL 71 CO -0.06 0.31 -0.28 0.77 0.02 0.00 0.00 177.57 178.34 3gkv h SER 72 N 0.85 0.00 -0.44 0.57 4.64 -0.47 -2.70 113.55 115.99 3gkv h SER 72 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3gkv h SER 72 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3gkv h SER 72 CO -0.01 0.28 0.01 0.29 -0.87 0.00 0.00 176.83 176.53 3gkv n LYS 73 N -3.77 3.98 -0.02 4.77 4.76 -0.10 -4.70 118.16 123.09 3gkv n LYS 73 Ca -0.01 -3.03 0.23 0.00 -2.87 0.00 0.00 58.31 52.63 3gkv n LYS 73 Cb 0.37 -2.08 0.72 0.00 -1.84 0.00 0.00 35.03 32.20 3gkv n LYS 73 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 3gkv h ILE 74 N 2.96 0.45 0.00 -0.18 2.10 -0.55 0.79 117.51 123.08 3gkv h ILE 74 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.95 3gkv h ILE 74 Cb 1.77 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3gkv h ILE 74 CO 0.39 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.90 3gkv h ASP 75 N 0.00 0.00 -1.12 2.19 3.32 -1.86 -3.39 116.42 115.56 3gkv h ASP 75 Ca 0.29 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 3gkv h ASP 75 Cb 1.36 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.72 3gkv h ASP 75 CO -0.00 0.00 -0.52 -0.62 -1.72 0.00 0.00 179.24 176.38 3gkv s ASP 76 N -5.00 -1.20 0.27 6.45 2.15 0.25 -5.02 116.67 114.57 3gkv s ASP 76 Ca 0.08 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.44 3gkv s ASP 76 Cb 0.10 1.72 0.37 0.00 -0.30 0.00 0.00 42.92 44.81 3gkv s ASP 76 CO 0.57 -0.09 1.72 -0.07 -0.17 0.00 0.00 175.17 177.14 3gkv h LEU 77 N 5.52 0.59 0.16 -1.34 3.38 -1.70 -1.74 115.31 120.18 3gkv h LEU 77 Ca 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3gkv h LEU 77 Cb 1.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3gkv h LEU 77 CO 0.06 0.78 -0.11 0.50 0.09 0.00 0.00 178.44 179.76 3gkv h LYS 78 N 0.53 -0.26 -0.29 1.13 3.64 -1.90 0.16 116.57 119.58 3gkv h LYS 78 Ca 0.09 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3gkv h LYS 78 Cb 0.62 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3gkv h LYS 78 CO 0.04 -0.17 -0.11 1.15 -2.27 0.00 0.00 179.45 178.09 3gkv h THR 79 N -0.27 1.29 -0.37 1.00 2.02 -1.93 -2.63 112.91 112.01 3gkv h THR 79 Ca -0.01 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 3gkv h THR 79 Cb 0.24 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3gkv h THR 79 CO -0.00 0.37 0.09 1.23 0.37 0.00 0.00 175.52 177.58 3gkv h GLY 80 N 0.33 0.59 -2.18 2.16 0.00 -1.12 -3.05 103.07 99.80 3gkv h GLY 80 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3gkv h GLY 80 CO 0.04 0.29 0.00 1.04 0.00 0.00 0.00 176.54 177.91 3gkv n LEU 81 N -4.33 3.81 -0.24 3.11 4.77 0.53 -4.66 117.00 120.00 3gkv n LEU 81 Ca 0.02 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 3gkv n LEU 81 Cb 0.19 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3gkv n LEU 81 CO 0.38 0.82 1.08 -0.03 -1.33 0.00 0.00 177.39 178.30 3gkv h MET 82 N 3.17 0.62 -0.55 3.23 4.05 -1.35 0.98 114.93 125.08 3gkv h MET 82 Ca 0.00 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 3gkv h MET 82 Cb 1.08 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 3gkv h MET 82 CO 0.09 0.41 -0.07 0.93 0.23 0.00 0.00 176.91 178.50 3gkv h GLU 83 N 0.64 1.02 -0.37 0.39 5.08 -1.83 -1.40 114.58 118.11 3gkv h GLU 83 Ca 0.33 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3gkv h GLU 83 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3gkv h GLU 83 CO -0.23 1.05 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.74 3gkv h LEU 84 N 0.90 0.57 0.02 1.33 3.38 -1.68 -0.98 115.31 118.86 3gkv h LEU 84 Ca 0.15 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gkv h LEU 84 Cb 0.64 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gkv h LEU 84 CO 0.04 0.66 -0.01 -1.28 0.09 0.00 0.00 178.44 177.94 3gkv h SER 85 N 0.57 -0.03 -0.86 -0.43 0.87 -0.45 -1.47 113.55 111.75 3gkv h SER 85 Ca 0.12 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3gkv h SER 85 Cb 0.40 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.31 3gkv h SER 85 CO 0.02 0.10 0.55 -0.08 -0.53 0.00 0.00 176.83 176.88 3gkv h GLU 86 N -0.15 1.01 -0.39 2.24 4.57 -0.97 0.88 114.58 121.77 3gkv h GLU 86 Ca -0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 3gkv h GLU 86 Cb 0.14 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3gkv h GLU 86 CO 0.01 0.67 0.10 0.37 -1.18 0.00 0.00 179.01 178.98 3gkv h GLN 87 N 1.04 0.62 -0.22 1.92 4.15 -0.98 0.50 115.11 122.13 3gkv h GLN 87 Ca 0.36 -0.14 -0.16 0.00 0.77 0.00 0.00 58.65 59.47 3gkv h GLN 87 Cb 0.07 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3gkv h GLN 87 CO -0.14 0.64 -0.53 0.45 -1.93 0.00 0.00 178.83 177.32 3gkv h HIS 88 N 0.48 0.79 -0.02 3.99 3.86 -1.05 0.04 115.15 123.25 3gkv h HIS 88 Ca 0.12 -0.28 -0.05 0.00 -1.16 0.00 0.00 60.37 59.01 3gkv h HIS 88 Cb 0.29 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3gkv h HIS 88 CO 0.02 1.03 -0.16 0.00 0.86 0.00 0.00 177.93 179.67 3gkv h ALA 89 N 0.91 0.05 0.00 2.45 0.00 -0.75 0.30 119.26 122.22 3gkv h ALA 89 Ca 0.01 -0.40 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 3gkv h ALA 89 Cb 1.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3gkv h ALA 89 CO 0.11 0.01 -1.96 0.66 0.00 0.00 0.00 179.25 178.07 3gkv n TYR 90 N -4.59 0.24 -0.04 0.00 4.01 0.16 -3.69 117.16 113.24 3gkv n TYR 90 Ca -0.09 0.10 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 3gkv n TYR 90 Cb 0.43 -0.93 -0.09 0.00 -0.31 0.00 0.00 39.34 38.45 3gkv n TYR 90 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3gkv h LYS 91 N -1.00 0.28 0.00 -0.72 6.56 -1.50 -3.36 116.57 116.82 3gkv h LYS 91 Ca -0.49 -0.18 -0.07 0.00 -1.06 0.00 0.00 60.65 58.84 3gkv h LYS 91 Cb 1.40 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.07 3gkv h LYS 91 CO -0.30 0.78 -1.65 1.28 -2.06 0.00 0.00 179.45 177.50 3gkv n LEU 92 N -4.56 0.40 -3.83 2.94 4.77 -0.04 -5.00 117.00 111.69 3gkv n LEU 92 Ca -0.08 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 55.83 3gkv n LEU 92 Cb 0.40 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3gkv n LEU 92 CO 0.39 0.03 -0.16 0.54 -1.33 0.00 0.00 177.39 176.86 3gkv n ARG 93 N -2.55 -4.03 -2.64 3.23 1.74 -0.07 -4.92 116.66 107.42 3gkv n ARG 93 Ca -0.07 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 3gkv n ARG 93 Cb 0.68 -4.83 -0.03 0.00 -1.02 0.00 0.00 32.46 27.27 3gkv n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gkv s VAL 94 N -3.82 4.68 0.18 1.55 1.01 -0.24 -4.98 120.40 118.77 3gkv s VAL 94 Ca 0.00 1.95 -0.32 0.00 0.00 0.00 0.00 61.98 63.62 3gkv s VAL 94 Cb -0.00 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 3gkv s VAL 94 CO 0.85 0.01 1.75 -0.67 0.00 0.00 0.00 175.10 177.05 3gkv n ASP 95 N 4.98 3.98 0.25 3.32 -0.08 -1.26 -4.79 116.55 122.95 3gkv n ASP 95 Ca 0.09 1.04 0.17 0.00 -1.51 0.00 0.00 54.79 54.58 3gkv n ASP 95 Cb 0.48 -1.56 0.90 0.00 2.34 0.00 0.00 41.12 43.28 3gkv n ASP 95 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3gkv h PRO 96 N 7.27 0.00 0.00 -0.67 0.13 -1.96 -2.10 132.00 134.67 3gkv h PRO 96 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3gkv h PRO 96 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3gkv h PRO 96 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 3gkv h ALA 97 N 2.00 1.00 0.00 -0.56 0.00 -2.02 -2.78 119.26 116.91 3gkv h ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gkv h ALA 97 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gkv h ALA 97 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 179.25 178.34 3gkv h ASN 98 N 0.00 0.00 -0.74 0.00 4.21 -1.75 -3.33 115.58 113.97 3gkv h ASN 98 Ca 0.00 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.53 3gkv h ASN 98 Cb 0.20 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.35 3gkv h ASN 98 CO 0.00 0.00 0.48 -0.26 -1.29 0.00 0.00 177.43 176.36 3gkv h PHE 99 N 0.00 0.90 0.00 1.19 0.04 -1.70 -2.05 116.94 115.32 3gkv h PHE 99 Ca 0.00 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 3gkv h PHE 99 Cb 0.88 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 3gkv h PHE 99 CO 0.00 0.53 -0.27 1.57 -0.60 0.00 0.00 178.31 179.54 3gkv h LYS 100 N 0.95 0.00 -0.06 1.51 2.10 -1.79 -1.39 116.57 117.89 3gkv h LYS 100 Ca 0.29 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.92 3gkv h LYS 100 Cb -0.03 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.30 3gkv h LYS 100 CO -0.09 0.27 -0.04 0.82 -2.00 0.00 0.00 179.45 178.41 3gkv h ILE 101 N 0.00 1.34 -0.61 0.07 2.04 -1.56 -1.40 117.51 117.39 3gkv h ILE 101 Ca -0.00 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 3gkv h ILE 101 Cb 0.54 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 3gkv h ILE 101 CO 0.03 0.30 0.23 0.25 0.00 0.00 0.00 178.15 178.97 3gkv h LEU 102 N -0.28 0.82 -0.26 1.44 5.85 -1.20 -1.46 115.31 120.22 3gkv h LEU 102 Ca 0.01 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3gkv h LEU 102 Cb 0.50 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3gkv h LEU 102 CO 0.01 0.74 0.12 0.78 -0.34 0.00 0.00 178.44 179.75 3gkv h ASN 103 N 0.88 0.16 -0.57 1.25 2.35 -1.14 0.12 115.58 118.62 3gkv h ASN 103 Ca 0.21 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3gkv h ASN 103 Cb 0.19 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3gkv h ASN 103 CO -0.02 0.13 0.38 -0.74 -1.65 0.00 0.00 177.43 175.53 3gkv h HIS 104 N 0.25 0.72 -0.67 1.19 2.76 -0.80 -1.59 115.15 117.01 3gkv h HIS 104 Ca 0.11 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3gkv h HIS 104 Cb 0.05 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 3gkv h HIS 104 CO -0.11 0.45 0.38 0.00 -1.30 0.00 0.00 177.93 177.35 3gkv h ILE 106 N 0.93 1.20 -0.72 0.00 2.04 -0.22 -1.05 117.51 119.70 3gkv h ILE 106 Ca 0.24 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3gkv h ILE 106 Cb 0.01 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3gkv h ILE 106 CO -0.04 0.23 0.44 -0.07 0.00 0.00 0.00 178.15 178.71 3gkv h LEU 107 N 0.54 0.85 -0.29 1.44 3.38 -0.82 0.09 115.31 120.50 3gkv h LEU 107 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gkv h LEU 107 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3gkv h LEU 107 CO -0.01 0.65 0.19 0.58 0.09 0.00 0.00 178.44 179.94 3gkv h VAL 108 N 0.98 1.08 -0.34 1.22 2.07 -0.89 -1.31 116.25 119.06 3gkv h VAL 108 Ca 0.26 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3gkv h VAL 108 Cb -0.05 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3gkv h VAL 108 CO -0.05 0.07 0.13 0.58 0.02 0.00 0.00 177.57 178.32 3gkv h VAL 109 N 0.39 1.19 -0.97 2.57 2.07 -0.82 -0.91 116.25 119.77 3gkv h VAL 109 Ca 0.11 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3gkv h VAL 109 Cb -0.05 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3gkv h VAL 109 CO -0.02 0.20 0.64 0.40 0.02 0.00 0.00 177.57 178.81 3gkv h ILE 110 N 0.40 1.25 -0.71 4.57 2.04 -0.90 -1.32 117.51 122.83 3gkv h ILE 110 Ca 0.11 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3gkv h ILE 110 Cb 0.19 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 3gkv h ILE 110 CO -0.01 0.24 0.35 0.28 0.00 0.00 0.00 178.15 179.01 3gkv h SER 111 N 1.31 0.92 0.20 1.72 0.02 -0.81 0.17 113.55 117.08 3gkv h SER 111 Ca 0.35 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3gkv h SER 111 Cb -0.15 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 3gkv h SER 111 CO -0.08 0.79 -0.35 0.71 -1.14 0.00 0.00 176.83 176.76 3gkv h THR 112 N 0.99 1.28 0.00 -2.27 1.35 -0.37 -3.14 112.91 110.75 3gkv h THR 112 Ca 0.25 -1.37 -0.31 0.00 -0.55 0.00 0.00 66.41 64.43 3gkv h THR 112 Cb 0.10 1.59 -0.05 0.00 -1.73 0.00 0.00 68.15 68.06 3gkv h THR 112 CO -0.03 0.41 -1.87 0.23 -0.25 0.00 0.00 175.52 174.01 3gkv n MET 113 N -4.08 0.65 -3.13 4.72 2.00 -0.58 -4.65 117.12 112.06 3gkv n MET 113 Ca -0.01 0.23 -0.21 0.00 0.00 0.00 0.00 57.70 57.71 3gkv n MET 113 Cb 0.43 -1.73 -0.04 0.00 0.00 0.00 0.00 33.22 31.89 3gkv n MET 113 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3gkv n PHE 114 N -2.99 1.32 -0.06 2.03 3.01 0.56 -4.96 117.46 116.38 3gkv n PHE 114 Ca -0.21 -3.86 0.09 0.00 1.01 0.00 0.00 57.45 54.48 3gkv n PHE 114 Cb 1.08 -0.44 0.48 0.00 -0.01 0.00 0.00 39.48 40.58 3gkv n PHE 114 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gkv h PRO 115 N 3.07 0.44 -0.08 -1.08 0.13 -1.73 -0.25 132.00 132.51 3gkv h PRO 115 Ca 0.11 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.04 3gkv h PRO 115 Cb 0.83 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.87 3gkv h PRO 115 CO 0.60 0.29 -0.63 0.87 -0.23 0.00 0.00 178.00 178.89 3gkv h LYS 116 N 0.45 0.57 0.01 0.86 1.79 -1.92 -3.28 116.57 115.05 3gkv h LYS 116 Ca 0.24 -0.50 -0.20 0.00 -2.18 0.00 0.00 60.65 58.00 3gkv h LYS 116 Cb 0.35 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3gkv h LYS 116 CO -0.06 1.13 -0.90 0.93 -1.08 0.00 0.00 179.45 179.47 3gkv h GLU 117 N 0.17 0.21 -3.57 3.15 3.07 -1.89 -3.37 114.58 112.35 3gkv h GLU 117 Ca -0.06 -0.23 -0.72 0.00 -0.50 0.00 0.00 59.36 57.85 3gkv h GLU 117 Cb 1.29 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 29.20 3gkv h GLU 117 CO 0.13 0.97 2.91 0.34 -1.40 0.00 0.00 179.01 181.96 3gkv n PHE 118 N -3.65 3.10 -1.62 4.33 7.35 -0.14 -4.77 117.46 122.06 3gkv n PHE 118 Ca -0.04 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.43 3gkv n PHE 118 Cb 0.82 -2.32 0.12 0.00 0.35 0.00 0.00 39.48 38.44 3gkv n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3gkv s THR 119 N 1.89 2.17 0.34 -2.13 -4.23 -1.26 -4.78 115.64 107.65 3gkv s THR 119 Ca 0.50 0.06 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 3gkv s THR 119 Cb 0.14 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.40 3gkv s THR 119 CO -0.06 -0.07 1.96 -0.65 -0.54 0.00 0.00 174.62 175.26 3gkv h PRO 120 N -1.34 0.83 -0.33 3.99 0.11 -1.97 0.16 132.00 133.46 3gkv h PRO 120 Ca -0.49 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 3gkv h PRO 120 Cb 1.32 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3gkv h PRO 120 CO 0.62 0.55 -0.27 0.93 -0.21 0.00 0.00 178.00 179.63 3gkv h GLU 121 N 0.86 0.66 -0.55 1.05 5.08 -1.96 -0.80 114.58 118.92 3gkv h GLU 121 Ca 0.31 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 3gkv h GLU 121 Cb 0.14 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3gkv h GLU 121 CO -0.10 0.86 -0.04 0.00 -1.00 0.00 0.00 179.01 178.73 3gkv h ALA 122 N 1.13 0.75 -0.43 3.43 0.00 -1.73 -3.13 119.26 119.28 3gkv h ALA 122 Ca 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3gkv h ALA 122 Cb 0.76 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3gkv h ALA 122 CO 0.06 0.61 0.14 1.25 0.00 0.00 0.00 179.25 181.31 3gkv h HIS 123 N 0.88 0.68 -0.39 0.00 -0.00 -0.71 -1.12 115.15 114.49 3gkv h HIS 123 Ca 0.15 -0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3gkv h HIS 123 Cb 0.60 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 3gkv h HIS 123 CO 0.04 0.62 0.23 -0.24 -0.00 0.00 0.00 177.93 178.58 3gkv h VAL 124 N 0.55 1.14 -0.42 5.26 3.04 -1.11 0.49 116.25 125.20 3gkv h VAL 124 Ca 0.14 -0.33 -0.13 0.00 -1.01 0.00 0.00 66.70 65.37 3gkv h VAL 124 Cb 0.26 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 3gkv h VAL 124 CO -0.01 0.14 -0.26 0.28 -1.01 0.00 0.00 177.57 176.72 3gkv h SER 125 N 0.51 0.92 -0.25 3.17 0.02 -1.52 -1.71 113.55 114.70 3gkv h SER 125 Ca 0.14 -0.36 -0.11 0.00 -0.84 0.00 0.00 61.79 60.62 3gkv h SER 125 Cb 0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3gkv h SER 125 CO -0.03 1.12 -0.24 0.25 -1.14 0.00 0.00 176.83 176.80 3gkv h LEU 126 N 0.76 0.74 -0.35 5.07 5.85 -0.98 -0.39 115.31 126.00 3gkv h LEU 126 Ca 0.09 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3gkv h LEU 126 Cb 0.81 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3gkv h LEU 126 CO 0.07 0.96 0.03 -0.78 -0.34 0.00 0.00 178.44 178.38 3gkv h ASP 127 N 0.63 0.58 -0.92 1.25 3.58 -0.77 0.19 116.42 120.97 3gkv h ASP 127 Ca 0.09 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 3gkv h ASP 127 Cb 0.74 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 3gkv h ASP 127 CO 0.06 0.72 0.53 0.11 -2.88 0.00 0.00 179.24 177.78 3gkv h LYS 128 N 0.43 1.27 -0.21 0.28 1.57 -1.11 -0.97 116.57 117.83 3gkv h LYS 128 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3gkv h LYS 128 Cb 0.40 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3gkv h LYS 128 CO 0.01 0.91 0.09 0.35 -0.57 0.00 0.00 179.45 180.24 3gkv h PHE 129 N 1.28 0.31 -0.32 -1.35 3.57 -0.69 -1.82 116.94 117.93 3gkv h PHE 129 Ca 0.33 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 3gkv h PHE 129 Cb -0.01 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3gkv h PHE 129 CO 0.01 0.34 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.29 3gkv h LEU 130 N 0.20 0.49 -1.00 0.59 3.38 -0.37 0.13 115.31 118.72 3gkv h LEU 130 Ca 0.07 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3gkv h LEU 130 Cb 0.15 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3gkv h LEU 130 CO -0.01 0.60 0.16 0.28 0.09 0.00 0.00 178.44 179.56 3gkv h SER 131 N 0.48 0.82 -0.36 -0.43 0.02 -0.98 0.15 113.55 113.25 3gkv h SER 131 Ca 0.10 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 3gkv h SER 131 Cb 0.41 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3gkv h SER 131 CO 0.02 0.79 -0.19 1.23 -1.14 0.00 0.00 176.83 177.54 3gkv h GLY 132 N 0.99 0.91 0.90 -3.77 0.00 -0.31 -1.19 103.07 100.61 3gkv h GLY 132 Ca 0.19 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 3gkv h GLY 132 CO -0.00 0.70 0.09 -2.08 0.00 0.00 0.00 176.54 175.24 3gkv h VAL 133 N 0.74 1.21 -0.68 4.60 2.07 -0.25 -1.02 116.25 122.92 3gkv h VAL 133 Ca 0.11 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3gkv h VAL 133 Cb 0.72 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3gkv h VAL 133 CO 0.06 0.23 0.44 0.00 0.02 0.00 0.00 177.57 178.32 3gkv h ALA 134 N 0.92 0.88 -0.72 1.67 0.00 -0.77 0.16 119.26 121.40 3gkv h ALA 134 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3gkv h ALA 134 Cb 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3gkv h ALA 134 CO -0.00 0.24 0.18 1.25 0.00 0.00 0.00 179.25 180.92 3gkv h LEU 135 N 0.88 1.09 -0.43 0.00 5.85 -1.02 -0.88 115.31 120.79 3gkv h LEU 135 Ca 0.26 -0.23 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 3gkv h LEU 135 Cb -0.05 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 3gkv h LEU 135 CO -0.08 1.04 -0.30 0.00 -0.34 0.00 0.00 178.44 178.76 3gkv h ALA 136 N 1.10 0.62 0.00 1.25 0.00 -0.75 -2.61 119.26 118.86 3gkv h ALA 136 Ca 0.23 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gkv h ALA 136 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gkv h ALA 136 CO 0.00 0.66 -0.14 -0.07 0.00 0.00 0.00 179.25 179.70 3gkv h LEU 137 N 0.80 0.00 -0.08 0.00 3.38 -0.41 -2.17 115.31 116.83 3gkv h LEU 137 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gkv h LEU 137 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3gkv h LEU 137 CO 0.08 0.14 -0.04 0.00 0.09 0.00 0.00 178.44 178.71 3gkv n ALA 138 N -2.25 2.60 -0.23 1.53 0.00 -0.36 -4.36 120.51 117.44 3gkv n ALA 138 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.27 3gkv n ALA 138 Cb 0.29 -1.44 0.14 0.00 0.00 0.00 0.00 19.45 18.45 3gkv n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gkv h GLU 139 N 0.18 0.20 -0.27 0.00 4.57 -1.18 -2.10 114.58 115.98 3gkv h GLU 139 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3gkv h GLU 139 Cb 0.30 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3gkv h GLU 139 CO 0.00 0.13 0.00 0.54 -1.18 0.00 0.00 179.01 178.50 3gkv n ARG 140 N -5.21 1.77 0.08 1.92 5.12 -1.26 -4.35 116.66 114.73 3gkv n ARG 140 Ca 0.11 -1.18 -0.14 0.00 -1.93 0.00 0.00 57.85 54.71 3gkv n ARG 140 Cb 0.40 -1.33 -0.07 0.00 -1.16 0.00 0.00 32.46 30.31 3gkv n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3gkv h TYR 141 N 2.11 0.58 0.00 -1.55 0.05 -1.66 -3.47 116.97 113.03 3gkv h TYR 141 Ca 0.00 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.44 3gkv h TYR 141 Cb 0.47 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3gkv h TYR 141 CO 0.18 1.18 0.00 2.89 -1.05 0.00 0.00 178.16 181.36