#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nfe s LEU 2 N 0.00 4.20 0.91 1.04 1.43 -1.26 -5.05 118.68 119.94 3nfe s LEU 2 Ca 0.00 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 3nfe s LEU 2 Cb 0.00 -2.70 0.14 0.00 0.03 0.00 0.00 46.19 43.65 3nfe s LEU 2 CO 0.00 -0.11 1.11 -0.94 0.23 0.00 0.00 176.35 176.64 3nfe s SER 3 N 0.95 3.46 0.42 2.29 1.04 -1.26 -4.75 113.70 115.84 3nfe s SER 3 Ca 0.25 1.18 0.08 0.00 0.48 0.00 0.00 55.95 57.94 3nfe s SER 3 Cb -0.15 -1.83 0.90 0.00 0.10 0.00 0.00 66.02 65.04 3nfe s SER 3 CO 0.10 -2.60 2.05 0.44 0.98 0.00 0.00 173.24 174.21 3nfe h ASP 4 N -1.53 0.44 0.18 7.02 3.32 -1.99 0.37 116.42 124.23 3nfe h ASP 4 Ca -0.51 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 3nfe h ASP 4 Cb 1.31 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3nfe h ASP 4 CO 0.59 0.31 -0.09 0.50 -1.72 0.00 0.00 179.24 178.83 3nfe h LYS 5 N 0.51 -0.24 -0.34 3.56 3.64 -1.99 -0.61 116.57 121.10 3nfe h LYS 5 Ca 0.16 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3nfe h LYS 5 Cb 0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3nfe h LYS 5 CO -0.04 -0.12 0.22 -0.44 -2.27 0.00 0.00 179.45 176.80 3nfe h ASP 6 N -0.30 0.36 -0.89 4.20 3.32 -1.56 -0.82 116.42 120.74 3nfe h ASP 6 Ca -0.02 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.07 3nfe h ASP 6 Cb 0.23 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 3nfe h ASP 6 CO 0.04 0.26 0.58 0.11 -1.72 0.00 0.00 179.24 178.52 3nfe h LYS 7 N 0.44 1.03 -0.29 3.56 1.57 -0.21 -2.11 116.57 120.56 3nfe h LYS 7 Ca 0.13 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3nfe h LYS 7 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3nfe h LYS 7 CO -0.04 0.68 0.03 0.00 -0.57 0.00 0.00 179.45 179.55 3nfe h ALA 8 N 1.50 0.39 -0.93 3.86 0.00 -0.04 -2.17 119.26 121.87 3nfe h ALA 8 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3nfe h ALA 8 Cb 0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3nfe h ALA 8 CO -0.12 0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.82 3nfe h ALA 9 N 0.86 1.18 -0.32 0.00 0.00 -0.74 -1.07 119.26 119.17 3nfe h ALA 9 Ca 0.09 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3nfe h ALA 9 Cb 0.37 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3nfe h ALA 9 CO 0.01 0.60 -0.22 0.28 0.00 0.00 0.00 179.25 179.92 3nfe h VAL 10 N 1.27 1.27 -0.26 0.00 2.07 -1.27 -1.38 116.25 117.94 3nfe h VAL 10 Ca 0.34 -1.27 -0.15 0.00 0.82 0.00 0.00 66.70 66.44 3nfe h VAL 10 Cb -0.12 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3nfe h VAL 10 CO -0.07 0.41 -0.43 0.03 0.02 0.00 0.00 177.57 177.54 3nfe h ARG 11 N 0.54 0.75 -0.14 1.57 3.08 -0.75 -1.97 114.38 117.47 3nfe h ARG 11 Ca 0.08 -0.46 -0.15 0.00 0.07 0.00 0.00 59.98 59.52 3nfe h ARG 11 Cb 0.67 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3nfe h ARG 11 CO 0.05 1.08 -0.56 0.00 -1.07 0.00 0.00 179.97 179.48 3nfe h ALA 12 N 0.66 0.79 -0.58 0.04 0.00 -1.11 -1.24 119.26 117.82 3nfe h ALA 12 Ca 0.02 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 3nfe h ALA 12 Cb 1.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3nfe h ALA 12 CO 0.10 0.69 -0.04 1.25 0.00 0.00 0.00 179.25 181.25 3nfe h LEU 13 N 0.32 1.04 -0.82 0.00 5.85 -1.20 -2.20 115.31 118.30 3nfe h LEU 13 Ca 0.00 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 3nfe h LEU 13 Cb 1.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3nfe h LEU 13 CO 0.10 1.11 -0.23 -0.25 -0.34 0.00 0.00 178.44 178.83 3nfe h TRP 14 N 0.94 0.71 -0.98 1.25 2.91 -1.25 0.20 115.95 119.73 3nfe h TRP 14 Ca 0.16 -0.15 0.20 0.00 1.13 0.00 0.00 58.89 60.22 3nfe h TRP 14 Cb 0.60 -0.17 -0.09 0.00 -0.51 0.00 0.00 29.16 28.98 3nfe h TRP 14 CO 0.04 0.81 0.61 1.03 -1.03 0.00 0.00 178.44 179.90 3nfe h SER 15 N 0.56 0.66 0.06 2.65 0.87 -0.98 0.67 113.55 118.04 3nfe h SER 15 Ca 0.08 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3nfe h SER 15 Cb 0.69 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3nfe h SER 15 CO 0.05 0.24 -0.03 0.11 -0.53 0.00 0.00 176.83 176.68 3nfe h LYS 16 N 0.65 -0.08 0.00 2.24 1.57 -0.65 -3.40 116.57 116.89 3nfe h LYS 16 Ca 0.54 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 3nfe h LYS 16 Cb 1.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3nfe h LYS 16 CO -0.31 0.33 -0.79 0.44 -0.57 0.00 0.00 179.45 178.55 3nfe n ILE 17 N -4.78 0.03 -0.41 1.86 -5.35 0.59 -4.39 119.36 106.90 3nfe n ILE 17 Ca -0.05 -0.05 0.34 0.00 -0.27 0.00 0.00 62.75 62.71 3nfe n ILE 17 Cb 0.22 0.50 0.61 0.00 -1.74 0.00 0.00 39.64 39.23 3nfe n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3nfe h GLY 18 N 4.90 1.48 1.31 3.28 0.00 0.15 0.21 103.07 114.40 3nfe h GLY 18 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3nfe h GLY 18 CO 0.00 -0.43 0.08 0.07 0.00 0.00 0.00 176.54 176.26 3nfe h LYS 19 N 0.13 0.86 -0.77 4.80 2.10 -1.80 -2.99 116.57 118.90 3nfe h LYS 19 Ca 0.80 -0.20 -0.05 0.00 -2.00 0.00 0.00 60.65 59.19 3nfe h LYS 19 Cb 2.35 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 33.54 3nfe h LYS 19 CO -0.47 0.81 0.07 0.43 -2.00 0.00 0.00 179.45 178.29 3nfe n SER 20 N -4.24 3.96 -0.16 7.07 7.64 0.06 -4.46 113.62 123.50 3nfe n SER 20 Ca 0.03 -2.67 0.20 0.00 1.01 0.00 0.00 58.87 57.45 3nfe n SER 20 Cb 0.26 -0.64 0.59 0.00 -1.01 0.00 0.00 64.21 63.42 3nfe n SER 20 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3nfe h SER 21 N 2.27 0.23 -0.57 6.43 4.64 -1.60 0.20 113.55 125.15 3nfe h SER 21 Ca 0.06 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 3nfe h SER 21 Cb 1.57 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.62 3nfe h SER 21 CO 0.38 0.10 -0.04 0.44 -0.87 0.00 0.00 176.83 176.84 3nfe h ASP 22 N 0.24 1.02 -0.22 4.97 3.32 -1.87 -0.23 116.42 123.64 3nfe h ASP 22 Ca 0.39 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3nfe h ASP 22 Cb 1.17 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3nfe h ASP 22 CO -0.09 1.10 -0.18 0.00 -1.72 0.00 0.00 179.24 178.35 3nfe h ALA 23 N 0.96 1.03 -0.06 3.45 0.00 -1.02 -2.18 119.26 121.44 3nfe h ALA 23 Ca 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3nfe h ALA 23 Cb 0.60 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3nfe h ALA 23 CO 0.04 0.58 0.02 0.82 0.00 0.00 0.00 179.25 180.71 3nfe h ILE 24 N 0.58 1.17 0.12 0.00 2.04 -0.76 -2.70 117.51 117.95 3nfe h ILE 24 Ca 0.09 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3nfe h ILE 24 Cb 0.63 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3nfe h ILE 24 CO 0.04 0.14 -0.06 1.23 0.00 0.00 0.00 178.15 179.51 3nfe h GLY 25 N -0.09 -0.17 0.63 5.37 0.00 -1.01 0.29 103.07 108.10 3nfe h GLY 25 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.42 3nfe h GLY 25 CO -0.00 -0.06 -0.25 -0.57 0.00 0.00 0.00 176.54 175.66 3nfe h ASN 26 N -0.19 -0.69 -0.28 0.19 -0.73 -1.48 -1.68 115.58 110.72 3nfe h ASN 26 Ca -0.02 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.23 3nfe h ASN 26 Cb 0.15 0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 3nfe h ASN 26 CO 0.03 -0.35 0.18 -0.78 -0.37 0.00 0.00 177.43 176.14 3nfe h ASP 27 N -0.49 0.32 0.45 1.15 1.82 -1.36 -1.13 116.42 117.18 3nfe h ASP 27 Ca 0.01 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 3nfe h ASP 27 Cb 0.49 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.42 3nfe h ASP 27 CO -0.10 0.24 -0.22 0.00 -1.61 0.00 0.00 179.24 177.55 3nfe h ALA 28 N 1.09 -0.61 -0.40 -0.78 0.00 -0.36 -0.20 119.26 118.01 3nfe h ALA 28 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3nfe h ALA 28 Cb -0.03 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nfe h ALA 28 CO -0.02 -0.71 0.12 -0.07 0.00 0.00 0.00 179.25 178.57 3nfe h LEU 29 N -0.87 0.53 0.94 0.00 3.38 -1.34 0.51 115.31 118.45 3nfe h LEU 29 Ca -0.06 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3nfe h LEU 29 Cb 0.57 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.20 3nfe h LEU 29 CO 0.10 0.51 -0.45 0.28 0.09 0.00 0.00 178.44 178.97 3nfe h SER 30 N 0.57 -1.07 -0.94 -0.43 0.02 -1.15 -2.44 113.55 108.11 3nfe h SER 30 Ca 0.14 0.04 0.28 0.00 -0.84 0.00 0.00 61.79 61.41 3nfe h SER 30 Cb 0.18 0.28 -0.15 0.00 0.14 0.00 0.00 62.40 62.84 3nfe h SER 30 CO -0.01 -0.74 0.35 0.03 -1.14 0.00 0.00 176.83 175.32 3nfe h ARG 31 N -1.30 0.20 0.36 3.45 3.08 -0.78 -1.89 114.38 117.49 3nfe h ARG 31 Ca -0.13 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3nfe h ARG 31 Cb 0.97 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 3nfe h ARG 31 CO 0.21 0.13 -0.37 1.98 -1.07 0.00 0.00 179.97 180.85 3nfe h MET 32 N 0.20 -0.73 0.00 0.04 4.05 -0.53 -1.41 114.93 116.54 3nfe h MET 32 Ca 0.64 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 60.11 3nfe h MET 32 Cb 1.42 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 32.38 3nfe h MET 32 CO -0.68 -0.49 0.00 -0.84 0.23 0.00 0.00 176.91 175.13 3nfe h ILE 33 N -0.76 0.00 0.05 1.77 3.07 -0.89 -1.19 117.51 119.55 3nfe h ILE 33 Ca -0.02 -0.43 -0.11 0.00 1.55 0.00 0.00 64.86 65.84 3nfe h ILE 33 Cb 0.69 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 3nfe h ILE 33 CO -0.07 0.00 -0.53 0.58 -1.05 0.00 0.00 178.15 177.08 3nfe h VAL 34 N 0.00 1.53 0.00 0.16 2.07 -1.13 -3.27 116.25 115.62 3nfe h VAL 34 Ca 0.00 -2.39 -0.18 0.00 0.82 0.00 0.00 66.70 64.95 3nfe h VAL 34 Cb 0.47 3.13 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 3nfe h VAL 34 CO 0.00 0.61 -1.14 0.58 0.02 0.00 0.00 177.57 177.64 3nfe h VAL 35 N -0.75 0.91 -2.79 2.57 2.07 -1.23 -3.37 116.25 113.66 3nfe h VAL 35 Ca -0.11 -2.48 -0.61 0.00 0.82 0.00 0.00 66.70 64.32 3nfe h VAL 35 Cb 1.30 2.37 -0.41 0.00 -1.52 0.00 0.00 31.29 33.04 3nfe h VAL 35 CO 0.02 0.52 -0.71 -1.22 0.02 0.00 0.00 177.57 176.20 3nfe n TYR 36 N -3.10 1.87 0.22 1.57 4.02 -0.46 -4.97 117.16 116.32 3nfe n TYR 36 Ca -0.06 -3.97 0.05 0.00 -0.01 0.00 0.00 57.90 53.91 3nfe n TYR 36 Cb 0.87 -0.33 0.51 0.00 -0.02 0.00 0.00 39.34 40.37 3nfe n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3nfe h PRO 37 N 5.38 0.01 -0.00 -0.72 0.11 -1.73 -2.03 132.00 133.02 3nfe h PRO 37 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3nfe h PRO 37 Cb 0.80 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3nfe h PRO 37 CO 0.61 0.17 0.08 -0.56 -0.21 0.00 0.00 178.00 178.09 3nfe h GLN 38 N 0.01 0.00 0.00 1.05 -0.00 -1.92 0.20 115.11 114.45 3nfe h GLN 38 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3nfe h GLN 38 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 3nfe h GLN 38 CO 0.02 0.00 0.00 0.25 -0.00 0.00 0.00 178.83 179.10 3nfe n THR 39 N -3.04 0.21 0.58 1.86 -2.24 -0.76 -3.27 114.28 107.61 3nfe n THR 39 Ca -0.03 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 3nfe n THR 39 Cb 0.15 -0.63 0.45 0.00 -2.10 0.00 0.00 70.33 68.20 3nfe n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3nfe n LYS 40 N -1.32 0.19 0.10 -0.78 5.02 0.06 -2.91 118.16 118.51 3nfe n LYS 40 Ca 0.11 0.27 0.17 0.00 -2.02 0.00 0.00 58.31 56.84 3nfe n LYS 40 Cb 0.22 -1.78 0.71 0.00 -0.02 0.00 0.00 35.03 34.16 3nfe n LYS 40 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3nfe h ILE 41 N 0.00 0.73 0.00 -0.18 -0.00 -1.76 0.61 117.51 116.91 3nfe h ILE 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3nfe h ILE 41 Cb 0.55 0.81 0.00 0.00 -0.00 0.00 0.00 36.82 38.18 3nfe h ILE 41 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 176.93 3nfe n TYR 42 N -4.29 0.28 -1.14 0.16 4.01 -1.15 -2.39 117.16 112.65 3nfe n TYR 42 Ca 0.05 0.10 0.07 0.00 -0.16 0.00 0.00 57.90 57.96 3nfe n TYR 42 Cb 0.45 -0.66 0.20 0.00 -0.31 0.00 0.00 39.34 39.02 3nfe n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3nfe n PHE 43 N -1.74 0.53 0.35 -0.72 3.72 0.21 -4.68 117.46 115.12 3nfe n PHE 43 Ca 0.04 -1.08 0.09 0.00 -0.05 0.00 0.00 57.45 56.45 3nfe n PHE 43 Cb 0.26 -0.27 0.39 0.00 -0.94 0.00 0.00 39.48 38.92 3nfe n PHE 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3nfe n SER 44 N -1.00 0.36 0.02 4.37 3.41 -0.96 -1.88 113.62 117.93 3nfe n SER 44 Ca 0.21 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 3nfe n SER 44 Cb 0.80 -0.68 0.24 0.00 -0.26 0.00 0.00 64.21 64.32 3nfe n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nfe n HIS 45 N -1.92 0.16 -2.21 7.33 1.44 -1.26 -4.94 115.22 113.83 3nfe n HIS 45 Ca 0.02 0.05 -0.28 0.00 -2.01 0.00 0.00 57.72 55.49 3nfe n HIS 45 Cb 0.16 -0.39 0.03 0.00 0.12 0.00 0.00 29.99 29.91 3nfe n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3nfe s TRP 46 N -3.05 3.34 -1.01 -1.40 0.51 -0.79 -5.03 118.94 111.51 3nfe s TRP 46 Ca 0.10 0.85 0.21 0.00 -2.12 0.00 0.00 56.10 55.14 3nfe s TRP 46 Cb 0.16 -2.80 -0.15 0.00 -0.81 0.00 0.00 33.47 29.88 3nfe s TRP 46 CO 0.70 -0.87 0.96 -0.35 -0.51 0.00 0.00 176.95 176.87 3nfe n PRO 47 N -2.70 0.01 -3.14 4.98 -0.04 -1.26 -4.77 135.00 128.07 3nfe n PRO 47 Ca 0.05 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.29 3nfe n PRO 47 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 3nfe n PRO 47 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3nfe n ASP 48 N -1.49 0.02 -4.28 3.54 5.75 -1.26 -5.03 116.55 113.80 3nfe n ASP 48 Ca 0.04 -2.85 -0.43 0.00 -0.01 0.00 0.00 54.79 51.55 3nfe n ASP 48 Cb 0.33 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3nfe n ASP 48 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3nfe n VAL 49 N 1.12 4.01 -3.73 2.12 0.31 -1.26 -4.58 118.33 116.31 3nfe n VAL 49 Ca 0.21 -4.13 -0.13 0.00 -0.01 0.00 0.00 64.34 60.28 3nfe n VAL 49 Cb 0.57 -2.43 -0.08 0.00 -0.91 0.00 0.00 33.84 31.00 3nfe n VAL 49 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3nfe s THR 50 N 2.68 0.06 0.44 2.52 -4.23 -1.26 -5.09 115.64 110.76 3nfe s THR 50 Ca 0.47 -0.53 -0.23 0.00 -1.18 0.00 0.00 61.69 60.22 3nfe s THR 50 Cb 0.05 -0.82 -0.10 0.00 1.34 0.00 0.00 72.50 72.97 3nfe s THR 50 CO 0.01 -0.29 0.96 -0.81 -0.54 0.00 0.00 174.62 173.96 3nfe n PRO 51 N 0.85 1.24 0.00 3.99 -0.04 -1.26 -1.84 135.00 137.94 3nfe n PRO 51 Ca -0.20 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3nfe n PRO 51 Cb 0.58 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3nfe n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nfe n GLY 52 N 1.25 2.23 3.45 0.55 0.00 -1.26 -4.97 105.19 106.44 3nfe n GLY 52 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3nfe n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nfe n SER 53 N 0.23 -1.50 -0.23 1.61 3.41 -0.76 -4.57 113.62 111.80 3nfe n SER 53 Ca 0.00 0.47 0.02 0.00 -0.26 0.00 0.00 58.87 59.10 3nfe n SER 53 Cb 0.00 -1.23 0.10 0.00 -0.26 0.00 0.00 64.21 62.83 3nfe n SER 53 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3nfe h PRO 54 N -0.94 0.04 -0.32 4.33 0.11 -1.88 0.06 132.00 133.40 3nfe h PRO 54 Ca -0.45 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 3nfe h PRO 54 Cb 1.31 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3nfe h PRO 54 CO 0.39 0.03 -0.35 -0.91 -0.21 0.00 0.00 178.00 176.95 3nfe h ASN 55 N 0.05 0.85 -0.33 -2.05 -0.26 -1.89 0.26 115.58 112.20 3nfe h ASN 55 Ca 0.35 -0.48 -0.07 0.00 -0.56 0.00 0.00 56.30 55.54 3nfe h ASN 55 Cb 0.57 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 3nfe h ASN 55 CO -0.66 1.16 -0.02 0.40 -1.06 0.00 0.00 177.43 177.24 3nfe h ILE 56 N 0.56 1.23 0.00 2.81 1.08 -1.69 1.65 117.51 123.16 3nfe h ILE 56 Ca 0.05 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 3nfe h ILE 56 Cb 0.93 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 3nfe h ILE 56 CO 0.08 0.34 -0.06 0.11 -0.69 0.00 0.00 178.15 177.94 3nfe h LYS 57 N 0.66 0.00 0.00 2.37 1.57 -0.80 -0.92 116.57 119.45 3nfe h LYS 57 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3nfe h LYS 57 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3nfe h LYS 57 CO 0.02 0.06 -0.09 0.00 -0.57 0.00 0.00 179.45 178.86 3nfe h ALA 58 N 1.94 0.01 0.00 3.86 0.00 0.39 -3.16 119.26 122.30 3nfe h ALA 58 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3nfe h ALA 58 Cb 0.15 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3nfe h ALA 58 CO 0.01 0.08 0.00 1.25 0.00 0.00 0.00 179.25 180.58 3nfe h HIS 59 N -1.00 0.00 0.09 0.00 -0.00 0.20 -2.89 115.15 111.55 3nfe h HIS 59 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3nfe h HIS 59 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 3nfe h HIS 59 CO 0.03 0.00 -0.04 0.78 -0.00 0.00 0.00 177.93 178.70 3nfe h GLY 60 N 1.72 -0.12 1.08 5.26 0.00 -1.30 -2.01 103.07 107.70 3nfe h GLY 60 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.40 3nfe h GLY 60 CO 0.00 -0.04 0.57 0.50 0.00 0.00 0.00 176.54 177.57 3nfe h LYS 61 N -0.44 1.10 -0.06 4.80 1.57 -1.47 -2.29 116.57 119.78 3nfe h LYS 61 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3nfe h LYS 61 Cb 0.37 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3nfe h LYS 61 CO 0.02 0.72 0.01 0.87 -0.57 0.00 0.00 179.45 180.50 3nfe h LYS 62 N 1.13 0.10 -0.40 3.15 1.57 -1.52 -1.90 116.57 118.70 3nfe h LYS 62 Ca 0.33 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3nfe h LYS 62 Cb -0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3nfe h LYS 62 CO -0.09 0.35 0.24 0.28 -0.57 0.00 0.00 179.45 179.66 3nfe h VAL 63 N -0.16 1.06 0.00 0.50 2.07 -0.93 0.20 116.25 118.99 3nfe h VAL 63 Ca 0.02 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3nfe h VAL 63 Cb 0.30 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3nfe h VAL 63 CO 0.00 0.09 -0.20 0.24 0.02 0.00 0.00 177.57 177.72 3nfe h MET 64 N 0.49 0.00 -0.06 1.57 2.86 -1.47 -1.40 114.93 116.91 3nfe h MET 64 Ca 0.15 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 3nfe h MET 64 Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3nfe h MET 64 CO -0.06 0.20 -0.39 0.78 1.06 0.00 0.00 176.91 178.50 3nfe h GLY 65 N 1.74 0.14 0.96 8.32 0.00 -0.27 0.39 103.07 114.35 3nfe h GLY 65 Ca -0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3nfe h GLY 65 CO 0.03 0.12 -0.11 -1.33 0.00 0.00 0.00 176.54 175.25 3nfe h GLY 66 N 1.20 0.78 0.92 4.60 0.00 -0.08 0.15 103.07 110.64 3nfe h GLY 66 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3nfe h GLY 66 CO 0.06 0.60 0.12 -2.22 0.00 0.00 0.00 176.54 175.10 3nfe h ILE 67 N 0.52 1.20 -0.56 2.60 1.08 -0.78 0.39 117.51 121.95 3nfe h ILE 67 Ca 0.09 -0.61 0.07 0.00 -0.39 0.00 0.00 64.86 64.01 3nfe h ILE 67 Cb 0.63 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 3nfe h ILE 67 CO 0.04 0.21 0.25 0.00 -0.69 0.00 0.00 178.15 177.96 3nfe h ALA 68 N 0.97 0.72 -0.75 1.87 0.00 -0.14 0.32 119.26 122.25 3nfe h ALA 68 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3nfe h ALA 68 Cb 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3nfe h ALA 68 CO -0.01 -0.13 0.34 1.25 0.00 0.00 0.00 179.25 180.70 3nfe h LEU 69 N 0.47 0.99 -0.92 0.00 5.85 -0.20 -2.39 115.31 119.11 3nfe h LEU 69 Ca 0.26 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3nfe h LEU 69 Cb 0.24 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3nfe h LEU 69 CO -0.22 0.85 0.26 0.00 -0.34 0.00 0.00 178.44 178.99 3nfe h ALA 70 N 1.29 1.14 -0.59 1.25 0.00 0.21 0.19 119.26 122.75 3nfe h ALA 70 Ca 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3nfe h ALA 70 Cb 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3nfe h ALA 70 CO -0.03 0.61 0.36 0.28 0.00 0.00 0.00 179.25 180.47 3nfe h VAL 71 N 1.02 1.17 0.00 0.00 2.07 -0.28 -0.24 116.25 119.99 3nfe h VAL 71 Ca 0.23 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3nfe h VAL 71 Cb 0.23 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3nfe h VAL 71 CO -0.02 0.18 -0.44 0.77 0.02 0.00 0.00 177.57 178.08 3nfe h SER 72 N 0.81 0.00 -0.32 0.57 4.64 -0.18 -2.99 113.55 116.08 3nfe h SER 72 Ca 0.21 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 3nfe h SER 72 Cb -0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.99 3nfe h SER 72 CO -0.04 0.44 -0.02 0.29 -0.87 0.00 0.00 176.83 176.63 3nfe n LYS 73 N -3.44 2.25 0.22 4.77 4.01 -0.20 -4.76 118.16 121.02 3nfe n LYS 73 Ca 0.00 -3.03 0.12 0.00 -0.51 0.00 0.00 58.31 54.90 3nfe n LYS 73 Cb 0.59 -1.83 0.64 0.00 -0.51 0.00 0.00 35.03 33.92 3nfe n LYS 73 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 3nfe h ILE 74 N 1.27 0.00 -0.01 -0.18 2.10 -0.89 0.36 117.51 120.16 3nfe h ILE 74 Ca 0.14 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.08 3nfe h ILE 74 Cb 1.59 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 3nfe h ILE 74 CO 0.34 0.00 -0.12 0.47 -1.08 0.00 0.00 178.15 177.76 3nfe n ASP 75 N -2.41 1.35 -2.68 2.19 8.00 -1.26 -4.61 116.55 117.13 3nfe n ASP 75 Ca -0.02 -1.25 -0.04 0.00 0.71 0.00 0.00 54.79 54.19 3nfe n ASP 75 Cb 0.19 0.07 0.04 0.00 -0.02 0.00 0.00 41.12 41.40 3nfe n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3nfe n ASP 76 N -0.14 -1.73 -0.15 -2.24 -0.08 0.12 -5.01 116.55 107.31 3nfe n ASP 76 Ca 0.16 -1.53 -0.00 0.00 -1.51 0.00 0.00 54.79 51.91 3nfe n ASP 76 Cb 0.36 0.91 0.24 0.00 2.34 0.00 0.00 41.12 44.98 3nfe n ASP 76 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3nfe h LEU 77 N 4.01 0.78 0.27 -2.67 3.38 -1.68 0.65 115.31 120.04 3nfe h LEU 77 Ca -0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3nfe h LEU 77 Cb 1.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3nfe h LEU 77 CO -0.09 0.65 -0.21 0.50 0.09 0.00 0.00 178.44 179.37 3nfe h LYS 78 N 0.87 -0.47 -0.34 1.13 3.64 -1.90 -0.24 116.57 119.25 3nfe h LYS 78 Ca 0.22 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.47 3nfe h LYS 78 Cb 0.06 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3nfe h LYS 78 CO -0.03 -0.31 -0.42 1.15 -2.27 0.00 0.00 179.45 177.57 3nfe h THR 79 N -0.49 1.28 0.00 1.00 2.02 -1.91 -3.10 112.91 111.71 3nfe h THR 79 Ca -0.02 -1.59 -0.04 0.00 0.77 0.00 0.00 66.41 65.53 3nfe h THR 79 Cb 0.43 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3nfe h THR 79 CO -0.01 0.53 -0.20 1.23 0.37 0.00 0.00 175.52 177.44 3nfe h GLY 80 N 0.68 0.00 -0.55 2.16 0.00 -0.62 -3.10 103.07 101.64 3nfe h GLY 80 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3nfe h GLY 80 CO 0.10 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.68 3nfe n LEU 81 N -4.24 2.87 0.23 3.11 4.77 -0.12 -4.62 117.00 118.99 3nfe n LEU 81 Ca -0.02 -3.05 0.07 0.00 -0.03 0.00 0.00 56.01 52.98 3nfe n LEU 81 Cb 0.26 -0.46 0.53 0.00 -2.33 0.00 0.00 43.42 41.42 3nfe n LEU 81 CO 0.36 0.70 0.87 0.24 -1.33 0.00 0.00 177.39 178.23 3nfe h MET 82 N 0.63 0.00 0.28 3.23 0.00 -1.46 0.15 114.93 117.76 3nfe h MET 82 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.69 3nfe h MET 82 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.75 3nfe h MET 82 CO 0.08 0.22 -0.13 0.93 0.00 0.00 0.00 176.91 178.00 3nfe h GLU 83 N 0.00 -0.36 -0.36 1.72 3.07 -1.83 -2.47 114.58 114.35 3nfe h GLU 83 Ca -0.00 0.02 -0.16 0.00 -0.50 0.00 0.00 59.36 58.72 3nfe h GLU 83 Cb 0.43 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3nfe h GLU 83 CO 0.03 -0.24 -0.40 -0.07 -1.40 0.00 0.00 179.01 176.93 3nfe h LEU 84 N -0.38 0.95 -0.87 1.33 4.07 -1.76 -3.26 115.31 115.39 3nfe h LEU 84 Ca -0.04 -0.44 0.08 0.00 0.08 0.00 0.00 57.88 57.57 3nfe h LEU 84 Cb 0.29 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.69 3nfe h LEU 84 CO 0.06 1.22 0.53 -1.28 -1.08 0.00 0.00 178.44 177.89 3nfe h SER 85 N 0.72 0.80 1.04 -0.43 0.87 -0.64 -1.11 113.55 114.80 3nfe h SER 85 Ca 0.06 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 3nfe h SER 85 Cb 0.98 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 3nfe h SER 85 CO 0.09 0.48 -0.22 -0.08 -0.53 0.00 0.00 176.83 176.58 3nfe h GLU 86 N 0.92 0.00 -0.27 2.24 4.57 -1.49 -2.15 114.58 118.40 3nfe h GLU 86 Ca 0.40 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.51 3nfe h GLU 86 Cb 0.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3nfe h GLU 86 CO -0.21 0.22 -0.11 0.37 -1.18 0.00 0.00 179.01 178.09 3nfe h GLN 87 N 0.00 0.56 0.00 1.92 4.15 -1.29 -2.46 115.11 117.99 3nfe h GLN 87 Ca -0.00 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.13 3nfe h GLN 87 Cb 0.79 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3nfe h GLN 87 CO 0.03 0.79 -0.25 0.45 -1.93 0.00 0.00 178.83 177.92 3nfe h HIS 88 N 0.30 0.00 0.00 3.99 3.86 -1.20 0.79 115.15 122.89 3nfe h HIS 88 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3nfe h HIS 88 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3nfe h HIS 88 CO 0.06 0.25 0.00 0.00 0.86 0.00 0.00 177.93 179.09 3nfe n ALA 89 N -2.18 -0.11 -0.01 2.45 0.00 -0.83 0.19 120.51 120.03 3nfe n ALA 89 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 3nfe n ALA 89 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 3nfe n ALA 89 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3nfe h TYR 90 N 0.00 0.56 0.17 0.00 0.99 -1.59 -1.68 116.97 115.43 3nfe h TYR 90 Ca 0.00 -0.28 -0.32 0.00 2.00 0.00 0.00 58.73 60.13 3nfe h TYR 90 Cb 0.00 -0.07 0.01 0.00 1.00 0.00 0.00 36.73 37.67 3nfe h TYR 90 CO 0.05 1.07 -1.56 -0.22 -0.00 0.00 0.00 178.16 177.51 3nfe h LYS 91 N -0.11 0.37 0.00 4.88 3.64 -1.12 -3.40 116.57 120.83 3nfe h LYS 91 Ca -0.05 -0.63 -0.37 0.00 -1.27 0.00 0.00 60.65 58.33 3nfe h LYS 91 Cb 1.18 0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 33.17 3nfe h LYS 91 CO 0.10 1.30 -2.39 1.28 -2.27 0.00 0.00 179.45 177.47 3nfe n LEU 92 N -3.74 1.24 -3.66 5.20 4.77 0.26 -4.99 117.00 116.08 3nfe n LEU 92 Ca -0.23 -0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.46 3nfe n LEU 92 Cb 1.01 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 42.08 3nfe n LEU 92 CO 0.50 0.67 0.14 0.54 -1.33 0.00 0.00 177.39 177.90 3nfe n ARG 93 N -2.94 -6.64 -2.53 3.23 1.74 0.50 -4.93 116.66 105.09 3nfe n ARG 93 Ca -0.37 0.75 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 3nfe n ARG 93 Cb 1.07 -5.68 -0.03 0.00 -1.02 0.00 0.00 32.46 26.81 3nfe n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3nfe s VAL 94 N -3.38 4.43 0.13 1.55 1.01 -0.72 -4.98 120.40 118.45 3nfe s VAL 94 Ca 0.39 1.74 -0.31 0.00 0.00 0.00 0.00 61.98 63.80 3nfe s VAL 94 Cb -0.18 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 3nfe s VAL 94 CO 0.77 -0.03 1.84 -0.67 0.00 0.00 0.00 175.10 177.01 3nfe n ASP 95 N 5.40 4.09 0.18 3.32 -0.08 -1.26 -4.84 116.55 123.37 3nfe n ASP 95 Ca 0.11 0.99 0.17 0.00 -1.51 0.00 0.00 54.79 54.54 3nfe n ASP 95 Cb 0.47 -1.56 0.79 0.00 2.34 0.00 0.00 41.12 43.16 3nfe n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nfe h PRO 96 N 8.51 0.00 -0.91 -0.67 0.11 -1.98 -1.88 132.00 135.18 3nfe h PRO 96 Ca -0.46 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.87 3nfe h PRO 96 Cb 1.22 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3nfe h PRO 96 CO 0.95 0.00 0.61 0.66 -0.21 0.00 0.00 178.00 180.01 3nfe h SER 97 N 0.00 0.34 0.36 -2.05 4.64 -2.01 0.78 113.55 115.61 3nfe h SER 97 Ca 0.10 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3nfe h SER 97 Cb 0.50 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3nfe h SER 97 CO -0.00 0.13 -0.03 0.78 -0.87 0.00 0.00 176.83 176.83 3nfe h ASN 98 N 0.33 0.00 -0.40 4.97 2.35 -1.71 -2.42 115.58 118.70 3nfe h ASN 98 Ca 0.47 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.16 3nfe h ASN 98 Cb 1.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 3nfe h ASN 98 CO -0.16 0.03 0.03 -0.26 -1.65 0.00 0.00 177.43 175.43 3nfe h PHE 99 N 0.00 0.75 -0.78 1.19 0.04 0.41 -1.48 116.94 117.07 3nfe h PHE 99 Ca -0.00 -0.12 0.16 0.00 2.80 0.00 0.00 57.97 60.81 3nfe h PHE 99 Cb 0.22 -0.20 -0.10 0.00 2.20 0.00 0.00 35.95 38.07 3nfe h PHE 99 CO 0.00 0.75 0.30 0.87 -0.60 0.00 0.00 178.31 179.63 3nfe h LYS 100 N 0.53 0.40 -0.05 1.51 1.57 -1.51 0.11 116.57 119.12 3nfe h LYS 100 Ca 0.12 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3nfe h LYS 100 Cb 0.43 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3nfe h LYS 100 CO 0.01 0.26 0.01 0.82 -0.57 0.00 0.00 179.45 179.99 3nfe h ILE 101 N 0.41 1.17 -0.77 1.86 2.04 -1.42 -1.32 117.51 119.49 3nfe h ILE 101 Ca 0.44 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3nfe h ILE 101 Cb 0.73 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3nfe h ILE 101 CO -0.45 0.14 0.50 0.25 0.00 0.00 0.00 178.15 178.59 3nfe h LEU 102 N -0.12 0.84 -0.80 1.44 5.85 -0.77 -2.22 115.31 119.54 3nfe h LEU 102 Ca 0.02 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3nfe h LEU 102 Cb 0.21 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3nfe h LEU 102 CO -0.00 0.59 0.52 0.78 -0.34 0.00 0.00 178.44 179.99 3nfe h ASN 103 N 0.99 0.88 0.12 1.25 2.35 -0.57 -0.67 115.58 119.94 3nfe h ASN 103 Ca 0.29 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3nfe h ASN 103 Cb -0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3nfe h ASN 103 CO -0.09 0.63 -0.11 -0.74 -1.65 0.00 0.00 177.43 175.47 3nfe h HIS 104 N 1.04 -0.28 -0.66 1.19 2.76 -0.84 -2.46 115.15 115.90 3nfe h HIS 104 Ca 0.30 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.51 3nfe h HIS 104 Cb -0.07 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 3nfe h HIS 104 CO -0.02 -0.17 0.43 0.00 -1.30 0.00 0.00 177.93 176.87 3nfe h ILE 106 N 0.77 1.27 -0.80 0.00 2.04 -1.03 -1.18 117.51 118.57 3nfe h ILE 106 Ca 0.27 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 3nfe h ILE 106 Cb 0.10 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3nfe h ILE 106 CO -0.08 0.46 0.44 -0.07 0.00 0.00 0.00 178.15 178.90 3nfe h LEU 107 N 0.75 0.99 -0.11 1.44 3.38 -0.70 -0.84 115.31 120.21 3nfe h LEU 107 Ca 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3nfe h LEU 107 Cb 0.76 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3nfe h LEU 107 CO 0.06 0.80 -0.05 0.58 0.09 0.00 0.00 178.44 179.91 3nfe h VAL 108 N 1.12 1.32 -0.03 1.22 2.07 -1.24 -1.66 116.25 119.05 3nfe h VAL 108 Ca 0.28 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3nfe h VAL 108 Cb 0.03 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3nfe h VAL 108 CO -0.05 0.31 -0.10 0.58 0.02 0.00 0.00 177.57 178.33 3nfe h VAL 109 N -0.13 0.74 -0.31 2.57 2.07 -1.01 -0.02 116.25 120.16 3nfe h VAL 109 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 3nfe h VAL 109 Cb 0.51 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3nfe h VAL 109 CO 0.02 0.00 0.21 0.40 0.02 0.00 0.00 177.57 178.22 3nfe h ILE 110 N -0.16 0.94 -0.18 4.57 2.04 -1.15 0.20 117.51 123.77 3nfe h ILE 110 Ca 0.05 -0.06 -0.18 0.00 1.00 0.00 0.00 64.86 65.67 3nfe h ILE 110 Cb 0.22 0.74 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3nfe h ILE 110 CO -0.13 0.03 -0.57 -1.28 0.00 0.00 0.00 178.15 176.20 3nfe h SER 111 N 0.18 0.82 -0.24 1.72 0.87 -0.39 0.72 113.55 117.24 3nfe h SER 111 Ca 0.14 -0.59 0.02 0.00 -1.23 0.00 0.00 61.79 60.13 3nfe h SER 111 Cb 0.31 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3nfe h SER 111 CO -0.02 1.27 0.08 0.71 -0.53 0.00 0.00 176.83 178.34 3nfe h THR 112 N 0.42 0.94 0.01 2.23 1.35 0.43 -3.11 112.91 115.18 3nfe h THR 112 Ca -0.02 -0.07 -0.22 0.00 -0.55 0.00 0.00 66.41 65.56 3nfe h THR 112 Cb 1.19 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 3nfe h THR 112 CO 0.12 0.04 -1.03 0.24 -0.25 0.00 0.00 175.52 174.63 3nfe h MET 113 N 0.20 0.02 -2.06 4.72 2.07 -0.59 -3.39 114.93 115.89 3nfe h MET 113 Ca 0.10 -0.03 -0.51 0.00 -2.07 0.00 0.00 59.70 57.19 3nfe h MET 113 Cb 0.07 0.01 -0.40 0.00 -1.87 0.00 0.00 31.60 29.40 3nfe h MET 113 CO -0.10 1.00 -1.07 1.19 1.07 0.00 0.00 176.91 179.00 3nfe n PHE 114 N -3.36 1.02 0.19 -0.22 3.72 0.25 -4.94 117.46 114.12 3nfe n PHE 114 Ca -0.01 -3.85 0.13 0.00 -0.05 0.00 0.00 57.45 53.67 3nfe n PHE 114 Cb 0.95 -0.43 0.72 0.00 -0.94 0.00 0.00 39.48 39.78 3nfe n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3nfe h PRO 115 N 3.03 0.00 -0.00 -1.08 0.13 -1.71 -1.11 132.00 131.26 3nfe h PRO 115 Ca 0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.02 3nfe h PRO 115 Cb 0.87 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.01 3nfe h PRO 115 CO 0.57 0.00 -0.82 0.87 -0.23 0.00 0.00 178.00 178.39 3nfe h LYS 116 N 0.00 0.56 0.01 0.86 1.57 -1.92 -3.34 116.57 114.31 3nfe h LYS 116 Ca 0.08 -0.60 -0.22 0.00 -1.87 0.00 0.00 60.65 58.03 3nfe h LYS 116 Cb 0.33 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3nfe h LYS 116 CO -0.00 1.22 -0.94 0.93 -0.57 0.00 0.00 179.45 180.08 3nfe h GLU 117 N 0.16 0.37 -3.55 3.15 3.07 -1.80 -3.38 114.58 112.60 3nfe h GLU 117 Ca -0.10 -0.41 -0.73 0.00 -0.50 0.00 0.00 59.36 57.62 3nfe h GLU 117 Cb 1.51 0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 29.45 3nfe h GLU 117 CO 0.16 1.09 2.74 0.34 -1.40 0.00 0.00 179.01 181.94 3nfe n PHE 118 N -3.72 3.07 -1.55 4.33 7.35 -0.48 -4.83 117.46 121.63 3nfe n PHE 118 Ca -0.06 -2.90 -0.29 0.00 -0.76 0.00 0.00 57.45 53.43 3nfe n PHE 118 Cb 0.84 -2.25 0.11 0.00 0.35 0.00 0.00 39.48 38.53 3nfe n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nfe s THR 119 N 1.57 2.60 0.25 -2.13 -4.23 -1.26 -4.79 115.64 107.65 3nfe s THR 119 Ca 0.48 0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 61.13 3nfe s THR 119 Cb 0.13 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 71.27 3nfe s THR 119 CO -0.05 -0.26 1.89 -0.65 -0.54 0.00 0.00 174.62 175.01 3nfe h PRO 120 N -1.26 1.14 -0.81 3.99 0.11 -1.98 -0.45 132.00 132.74 3nfe h PRO 120 Ca -0.48 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3nfe h PRO 120 Cb 1.30 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 3nfe h PRO 120 CO 0.60 0.76 0.42 0.93 -0.21 0.00 0.00 178.00 180.50 3nfe h GLU 121 N 1.18 1.15 -0.60 1.05 3.07 -1.97 -0.58 114.58 117.87 3nfe h GLU 121 Ca 0.38 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 59.02 3nfe h GLU 121 Cb 0.02 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.69 3nfe h GLU 121 CO -0.13 0.87 0.10 0.00 -1.40 0.00 0.00 179.01 178.45 3nfe h ALA 122 N 1.22 1.05 0.25 3.43 0.00 -1.76 -2.89 119.26 120.55 3nfe h ALA 122 Ca 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3nfe h ALA 122 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3nfe h ALA 122 CO -0.04 0.61 -0.19 1.25 0.00 0.00 0.00 179.25 180.88 3nfe h HIS 123 N 0.91 -0.50 -0.89 0.00 6.17 0.09 0.59 115.15 121.51 3nfe h HIS 123 Ca 0.19 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.33 3nfe h HIS 123 Cb 0.39 0.19 -0.06 0.00 2.52 0.00 0.00 27.41 30.45 3nfe h HIS 123 CO 0.03 -0.29 0.56 -0.24 0.71 0.00 0.00 177.93 178.69 3nfe h VAL 124 N -0.45 1.06 -0.33 5.26 3.04 -1.06 0.46 116.25 124.23 3nfe h VAL 124 Ca -0.02 -0.35 -0.04 0.00 -1.01 0.00 0.00 66.70 65.28 3nfe h VAL 124 Cb 0.40 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 3nfe h VAL 124 CO -0.01 0.19 0.05 0.28 -1.01 0.00 0.00 177.57 177.07 3nfe h SER 125 N 1.02 0.53 -0.37 3.17 0.02 -1.29 -1.54 113.55 115.09 3nfe h SER 125 Ca 0.39 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3nfe h SER 125 Cb 0.16 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3nfe h SER 125 CO -0.17 0.66 -0.00 0.25 -1.14 0.00 0.00 176.83 176.42 3nfe h LEU 126 N 0.38 0.65 -0.91 5.07 5.85 -0.18 -0.16 115.31 126.02 3nfe h LEU 126 Ca 0.10 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.54 3nfe h LEU 126 Cb 0.35 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3nfe h LEU 126 CO 0.01 0.80 0.59 -0.78 -0.34 0.00 0.00 178.44 178.72 3nfe h ASP 127 N 0.48 1.00 -0.87 1.25 3.58 -0.90 0.30 116.42 121.26 3nfe h ASP 127 Ca 0.11 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3nfe h ASP 127 Cb 0.47 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 3nfe h ASP 127 CO 0.02 0.71 0.47 0.11 -2.88 0.00 0.00 179.24 177.67 3nfe h LYS 128 N 1.18 1.23 -0.08 0.28 1.57 -1.05 -0.90 116.57 118.79 3nfe h LYS 128 Ca 0.35 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3nfe h LYS 128 Cb -0.06 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.01 3nfe h LYS 128 CO -0.10 0.90 -0.06 0.35 -0.57 0.00 0.00 179.45 179.97 3nfe h PHE 129 N 1.23 0.23 -0.13 -1.35 3.57 0.24 -1.48 116.94 119.25 3nfe h PHE 129 Ca 0.31 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3nfe h PHE 129 Cb 0.04 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3nfe h PHE 129 CO 0.01 0.60 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.38 3nfe h LEU 130 N -0.21 0.23 -1.20 0.59 3.38 -0.39 0.42 115.31 118.13 3nfe h LEU 130 Ca 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3nfe h LEU 130 Cb 0.55 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3nfe h LEU 130 CO 0.02 0.47 0.12 0.28 0.09 0.00 0.00 178.44 179.41 3nfe h SER 131 N 0.21 0.62 -0.44 -0.43 0.02 -1.09 0.18 113.55 112.62 3nfe h SER 131 Ca 0.04 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 3nfe h SER 131 Cb 0.54 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3nfe h SER 131 CO 0.04 0.62 -0.10 1.23 -1.14 0.00 0.00 176.83 177.47 3nfe h GLY 132 N 0.87 0.97 0.95 -3.77 0.00 0.47 -0.75 103.07 101.81 3nfe h GLY 132 Ca 0.15 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 3nfe h GLY 132 CO -0.00 0.69 -0.25 -2.08 0.00 0.00 0.00 176.54 174.89 3nfe h VAL 133 N 0.81 1.30 -0.81 4.60 2.07 0.06 -2.05 116.25 122.23 3nfe h VAL 133 Ca 0.13 -1.41 0.07 0.00 0.82 0.00 0.00 66.70 66.31 3nfe h VAL 133 Cb 0.62 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 3nfe h VAL 133 CO 0.04 0.45 0.49 0.00 0.02 0.00 0.00 177.57 178.57 3nfe h ALA 134 N 0.71 1.12 -0.34 1.67 0.00 -0.30 0.49 119.26 122.62 3nfe h ALA 134 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3nfe h ALA 134 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3nfe h ALA 134 CO 0.06 0.20 0.14 1.25 0.00 0.00 0.00 179.25 180.90 3nfe h LEU 135 N 0.88 0.46 -0.94 0.00 5.85 -1.12 -2.15 115.31 118.29 3nfe h LEU 135 Ca 0.36 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3nfe h LEU 135 Cb 0.21 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3nfe h LEU 135 CO -0.19 0.49 0.59 0.00 -0.34 0.00 0.00 178.44 178.99 3nfe h ALA 136 N 0.99 1.31 0.00 1.25 0.00 -0.45 -0.16 119.26 122.19 3nfe h ALA 136 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3nfe h ALA 136 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3nfe h ALA 136 CO -0.01 0.34 -0.37 -0.07 0.00 0.00 0.00 179.25 179.14 3nfe h LEU 137 N 1.06 0.00 -0.23 0.00 3.38 0.21 -2.78 115.31 116.96 3nfe h LEU 137 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3nfe h LEU 137 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3nfe h LEU 137 CO -0.18 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3nfe n ALA 138 N -2.47 2.08 -0.33 1.53 0.00 -0.15 -4.33 120.51 116.84 3nfe n ALA 138 Ca -0.02 0.01 0.20 0.00 0.00 0.00 0.00 53.44 53.63 3nfe n ALA 138 Cb 0.40 -1.44 0.38 0.00 0.00 0.00 0.00 19.45 18.79 3nfe n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3nfe h GLU 139 N 0.00 0.03 -0.57 0.00 4.57 -1.05 -0.81 114.58 116.75 3nfe h GLU 139 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3nfe h GLU 139 Cb 0.61 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3nfe h GLU 139 CO 0.00 0.02 0.00 0.54 -1.18 0.00 0.00 179.01 178.39 3nfe n ARG 140 N -5.39 4.38 0.06 1.92 5.12 -1.26 -4.53 116.66 116.95 3nfe n ARG 140 Ca 0.28 -3.05 -0.17 0.00 -1.93 0.00 0.00 57.85 52.98 3nfe n ARG 140 Cb 0.91 -2.11 -0.14 0.00 -1.16 0.00 0.00 32.46 29.96 3nfe n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3nfe h TYR 141 N 3.84 0.44 0.00 -1.55 -1.99 -1.44 -3.46 116.97 112.81 3nfe h TYR 141 Ca 0.00 -0.32 0.00 0.00 2.00 0.00 0.00 58.73 60.41 3nfe h TYR 141 Cb 1.77 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.48 3nfe h TYR 141 CO 0.94 1.39 0.00 2.89 -0.00 0.00 0.00 178.16 183.38