#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nfe n GLU 2 N 0.00 0.00 -4.10 7.34 4.71 -1.26 -5.03 120.64 122.29 3nfe n GLU 2 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 3nfe n GLU 2 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.28 3nfe n GLU 2 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 3nfe s TRP 3 N 0.00 0.44 0.55 -0.32 0.52 -1.26 -5.16 118.94 113.71 3nfe s TRP 3 Ca 0.00 -0.08 -0.15 0.00 0.02 0.00 0.00 56.10 55.89 3nfe s TRP 3 Cb 0.00 -0.33 -0.06 0.00 -1.15 0.00 0.00 33.47 31.92 3nfe s TRP 3 CO 0.00 -0.04 1.01 0.95 0.02 0.00 0.00 176.95 178.88 3nfe s THR 4 N 0.17 4.46 0.24 2.01 -4.23 -1.26 -4.91 115.64 112.12 3nfe s THR 4 Ca -0.02 1.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.52 3nfe s THR 4 Cb -0.05 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.32 3nfe s THR 4 CO -0.00 -0.77 1.87 0.44 -0.54 0.00 0.00 174.62 175.62 3nfe h ASP 5 N 0.54 0.92 -0.68 3.99 3.32 -2.01 -0.32 116.42 122.17 3nfe h ASP 5 Ca -0.46 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3nfe h ASP 5 Cb 1.19 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 3nfe h ASP 5 CO 0.61 0.60 0.16 0.50 -1.72 0.00 0.00 179.24 179.39 3nfe h LYS 6 N 1.06 1.10 -0.99 3.56 3.64 -1.98 0.50 116.57 123.45 3nfe h LYS 6 Ca 0.37 -0.26 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3nfe h LYS 6 Cb 0.10 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 3nfe h LYS 6 CO -0.15 0.98 0.63 0.93 -2.27 0.00 0.00 179.45 179.57 3nfe h GLU 7 N 1.05 1.08 -0.09 1.90 5.08 -1.74 0.35 114.58 122.22 3nfe h GLU 7 Ca 0.22 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3nfe h GLU 7 Cb 0.37 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3nfe h GLU 7 CO 0.00 0.72 0.05 0.00 -1.00 0.00 0.00 179.01 178.78 3nfe h ARG 8 N 1.12 0.12 -0.64 2.33 3.08 0.60 -2.51 114.38 118.47 3nfe h ARG 8 Ca 0.44 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 3nfe h ARG 8 Cb 0.24 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3nfe h ARG 8 CO -0.20 0.16 0.25 0.77 -1.07 0.00 0.00 179.97 179.88 3nfe h SER 9 N 0.05 0.89 0.31 7.04 0.02 0.13 -1.96 113.55 120.03 3nfe h SER 9 Ca 0.03 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3nfe h SER 9 Cb 0.07 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3nfe h SER 9 CO -0.01 0.83 -0.33 0.40 -1.14 0.00 0.00 176.83 176.58 3nfe h ILE 10 N 0.91 0.32 -0.29 3.27 2.04 -0.27 0.20 117.51 123.68 3nfe h ILE 10 Ca 0.21 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.11 3nfe h ILE 10 Cb 0.22 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3nfe h ILE 10 CO -0.02 0.00 0.08 0.40 0.00 0.00 0.00 178.15 178.62 3nfe h ILE 11 N -0.67 0.90 -0.62 -0.67 1.08 -1.39 0.96 117.51 117.10 3nfe h ILE 11 Ca -0.01 -0.07 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 3nfe h ILE 11 Cb 0.62 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 3nfe h ILE 11 CO -0.07 0.04 0.32 -1.28 -0.69 0.00 0.00 178.15 176.47 3nfe h SER 12 N 0.20 0.47 0.32 1.72 0.87 -1.13 0.30 113.55 116.30 3nfe h SER 12 Ca 0.13 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3nfe h SER 12 Cb 0.11 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3nfe h SER 12 CO -0.15 0.30 -0.36 -0.78 -0.53 0.00 0.00 176.83 175.32 3nfe h ASP 13 N 0.60 -1.00 -0.66 6.23 3.58 0.07 -0.43 116.42 124.81 3nfe h ASP 13 Ca 0.28 0.08 0.14 0.00 0.42 0.00 0.00 57.03 57.95 3nfe h ASP 13 Cb 0.19 0.34 -0.12 0.00 1.72 0.00 0.00 39.33 41.46 3nfe h ASP 13 CO -0.19 -0.46 -0.12 0.40 -2.88 0.00 0.00 179.24 175.99 3nfe h ILE 14 N -0.69 0.36 -0.17 2.25 2.04 -0.63 -2.05 117.51 118.62 3nfe h ILE 14 Ca -0.04 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 3nfe h ILE 14 Cb 0.61 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3nfe h ILE 14 CO -0.06 0.00 -0.12 -0.26 0.00 0.00 0.00 178.15 177.71 3nfe h PHE 15 N 0.02 0.44 -0.59 1.37 0.04 -0.83 -2.48 116.94 114.91 3nfe h PHE 15 Ca 0.33 -0.12 0.17 0.00 2.80 0.00 0.00 57.97 61.15 3nfe h PHE 15 Cb 0.52 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3nfe h PHE 15 CO -0.50 0.72 0.64 0.66 -0.60 0.00 0.00 178.31 179.23 3nfe h SER 16 N 0.03 0.00 -0.18 2.17 4.64 -0.38 0.25 113.55 120.08 3nfe h SER 16 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3nfe h SER 16 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3nfe h SER 16 CO 0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 3nfe n HIS 17 N -3.62 0.41 -2.47 4.77 8.25 -0.95 -5.01 115.22 116.59 3nfe n HIS 17 Ca 0.12 -0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 56.44 3nfe n HIS 17 Cb 0.86 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.81 3nfe n HIS 17 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3nfe s MET 18 N -1.90 4.28 -1.08 -0.41 0.00 0.86 -4.95 119.30 116.10 3nfe s MET 18 Ca 0.25 1.62 -0.18 0.00 0.00 0.00 0.00 55.69 57.39 3nfe s MET 18 Cb 0.19 -3.68 0.12 0.00 0.00 0.00 0.00 34.83 31.46 3nfe s MET 18 CO 0.08 -0.60 1.36 0.34 0.00 0.00 0.00 175.02 176.20 3nfe s ASP 19 N 1.70 6.78 0.33 1.11 -1.08 -1.26 -4.84 116.67 119.41 3nfe s ASP 19 Ca 0.54 -2.30 0.03 0.00 -0.52 0.00 0.00 52.55 50.29 3nfe s ASP 19 Cb -0.22 -2.45 0.59 0.00 -1.46 0.00 0.00 42.92 39.38 3nfe s ASP 19 CO 0.16 -1.05 1.91 1.88 0.52 0.00 0.00 175.17 178.58 3nfe h TYR 20 N 8.29 0.65 0.00 -5.34 -1.99 -1.96 -0.92 116.97 115.70 3nfe h TYR 20 Ca 0.26 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.94 3nfe h TYR 20 Cb 0.95 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.48 3nfe h TYR 20 CO 1.20 0.55 0.00 -0.44 -0.00 0.00 0.00 178.16 179.47 3nfe h ASP 21 N 0.63 0.00 0.00 3.88 5.19 -1.92 -2.01 116.42 122.20 3nfe h ASP 21 Ca 0.15 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 56.11 3nfe h ASP 21 Cb 0.21 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.65 3nfe h ASP 21 CO -0.01 0.00 -2.48 -0.67 -3.12 0.00 0.00 179.24 172.96 3nfe n ASP 22 N -2.50 1.96 -0.12 6.45 2.03 -0.68 -4.57 116.55 119.12 3nfe n ASP 22 Ca 0.01 0.26 -0.12 0.00 0.52 0.00 0.00 54.79 55.46 3nfe n ASP 22 Cb 0.23 -0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 39.84 3nfe n ASP 22 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3nfe h ILE 23 N -0.81 1.28 0.13 5.18 1.08 -1.21 -3.25 117.51 119.91 3nfe h ILE 23 Ca -0.67 -1.40 -0.00 0.00 -0.39 0.00 0.00 64.86 62.40 3nfe h ILE 23 Cb 1.66 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 36.79 3nfe h ILE 23 CO -0.36 0.46 -0.13 1.23 -0.69 0.00 0.00 178.15 178.67 3nfe h GLY 24 N 0.60 -0.81 -0.28 5.37 0.00 -1.60 -0.43 103.07 105.93 3nfe h GLY 24 Ca 0.07 0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.88 3nfe h GLY 24 CO 0.07 -0.28 -0.20 -2.55 0.00 0.00 0.00 176.54 173.57 3nfe h PRO 25 N -0.26 -0.05 -0.89 4.80 0.11 -1.74 -0.06 132.00 133.91 3nfe h PRO 25 Ca -0.02 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 3nfe h PRO 25 Cb 0.22 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.30 3nfe h PRO 25 CO -0.01 -0.03 0.59 0.87 -0.21 0.00 0.00 178.00 179.20 3nfe h LYS 26 N -0.05 1.14 -0.05 1.05 1.57 -1.58 0.31 116.57 118.95 3nfe h LYS 26 Ca 0.28 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.77 3nfe h LYS 26 Cb 0.49 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.55 3nfe h LYS 26 CO -0.64 0.75 -0.88 0.00 -0.57 0.00 0.00 179.45 178.10 3nfe h ALA 27 N 1.46 0.36 0.02 3.86 0.00 0.55 -1.79 119.26 123.72 3nfe h ALA 27 Ca 0.34 -0.66 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 3nfe h ALA 27 Cb -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3nfe h ALA 27 CO -0.09 0.75 -0.96 1.25 0.00 0.00 0.00 179.25 180.21 3nfe h LEU 28 N 0.33 0.17 -0.16 0.00 5.85 -0.84 -1.74 115.31 118.93 3nfe h LEU 28 Ca -0.07 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3nfe h LEU 28 Cb 1.51 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 3nfe h LEU 28 CO 0.16 1.02 -0.02 0.77 -0.34 0.00 0.00 178.44 180.03 3nfe h SER 29 N 0.05 0.29 -0.59 1.25 4.64 -0.45 -2.58 113.55 116.17 3nfe h SER 29 Ca -0.04 -0.35 0.08 0.00 -0.47 0.00 0.00 61.79 61.02 3nfe h SER 29 Cb 1.64 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.58 3nfe h SER 29 CO 0.14 0.57 0.23 -0.09 -0.87 0.00 0.00 176.83 176.81 3nfe h ARG 30 N 0.01 0.41 -0.60 4.77 2.43 -1.34 -1.50 114.38 118.55 3nfe h ARG 30 Ca 0.04 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3nfe h ARG 30 Cb 0.43 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3nfe h ARG 30 CO 0.01 0.27 0.12 0.00 -1.51 0.00 0.00 179.97 178.87 3nfe h LEU 32 N 0.90 0.00 0.00 0.00 3.38 -0.87 0.59 115.31 119.31 3nfe h LEU 32 Ca 0.19 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 3nfe h LEU 32 Cb 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3nfe h LEU 32 CO 0.00 0.00 -2.11 1.33 0.09 0.00 0.00 178.44 177.75 3nfe n VAL 33 N -2.93 0.82 0.04 1.22 0.24 -0.95 -3.66 118.33 113.12 3nfe n VAL 33 Ca 0.01 -0.70 0.07 0.00 -2.04 0.00 0.00 64.34 61.69 3nfe n VAL 33 Cb 0.32 -0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 32.30 3nfe n VAL 33 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3nfe n VAL 34 N -2.58 0.64 -3.37 3.34 0.31 -0.88 -4.29 118.33 111.50 3nfe n VAL 34 Ca -0.19 -0.59 -0.26 0.00 -0.01 0.00 0.00 64.34 63.29 3nfe n VAL 34 Cb 0.89 -0.35 -0.08 0.00 -0.91 0.00 0.00 33.84 33.38 3nfe n VAL 34 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3nfe n TYR 35 N -2.62 1.28 0.30 3.52 4.01 0.19 -4.98 117.16 118.86 3nfe n TYR 35 Ca -0.06 -3.80 0.19 0.00 -0.16 0.00 0.00 57.90 54.07 3nfe n TYR 35 Cb 0.66 -0.36 1.00 0.00 -0.31 0.00 0.00 39.34 40.33 3nfe n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3nfe h PRO 36 N 4.44 0.00 0.00 -0.72 0.13 -1.74 0.28 132.00 134.39 3nfe h PRO 36 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3nfe h PRO 36 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3nfe h PRO 36 CO 0.60 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.48 3nfe h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.07 115.95 113.61 3nfe h TRP 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 3nfe h TRP 37 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.55 3nfe h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 3nfe n THR 38 N -3.00 0.88 0.26 0.12 -2.24 0.09 -2.07 114.28 108.32 3nfe n THR 38 Ca -0.01 0.22 0.14 0.00 -2.27 0.00 0.00 64.05 62.13 3nfe n THR 38 Cb 0.21 -0.97 0.65 0.00 -2.10 0.00 0.00 70.33 68.12 3nfe n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3nfe h GLN 39 N 0.00 0.00 -1.10 -0.78 4.20 -1.57 -3.20 115.11 112.67 3nfe h GLN 39 Ca 0.00 0.00 0.30 0.00 0.06 0.00 0.00 58.65 59.01 3nfe h GLN 39 Cb 0.30 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.98 3nfe h GLN 39 CO 0.00 0.09 0.71 -0.09 -0.67 0.00 0.00 178.83 178.87 3nfe h ARG 40 N 0.00 0.31 -0.01 1.46 2.43 -1.63 -0.05 114.38 116.88 3nfe h ARG 40 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3nfe h ARG 40 Cb 0.53 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3nfe h ARG 40 CO 0.01 0.20 -0.03 0.66 -1.51 0.00 0.00 179.97 179.31 3nfe n TYR 41 N -4.63 0.00 -2.02 2.20 4.02 -1.21 -4.17 117.16 111.34 3nfe n TYR 41 Ca 0.28 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.91 3nfe n TYR 41 Cb 1.00 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 40.33 3nfe n TYR 41 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3nfe n PHE 42 N 0.05 2.88 0.00 -0.72 3.72 -0.03 -4.84 117.46 118.52 3nfe n PHE 42 Ca 0.18 -2.40 -0.08 0.00 -0.05 0.00 0.00 57.45 55.10 3nfe n PHE 42 Cb 0.35 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.43 3nfe n PHE 42 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3nfe h SER 43 N 2.23 -0.92 -0.39 4.37 0.02 -1.73 -2.01 113.55 115.12 3nfe h SER 43 Ca 0.38 0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.55 3nfe h SER 43 Cb 1.38 0.35 -0.02 0.00 0.14 0.00 0.00 62.40 64.26 3nfe h SER 43 CO 0.85 -0.27 0.64 1.23 -1.14 0.00 0.00 176.83 178.14 3nfe h GLY 44 N -0.33 0.00 1.37 -3.77 0.00 -1.96 -1.32 103.07 97.07 3nfe h GLY 44 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3nfe h GLY 44 CO -0.22 0.00 0.43 0.74 0.00 0.00 0.00 176.54 177.49 3nfe h PHE 45 N 0.00 0.81 0.00 5.60 -1.00 -1.75 -3.49 116.94 117.12 3nfe h PHE 45 Ca 0.19 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.99 3nfe h PHE 45 Cb 1.46 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.74 3nfe h PHE 45 CO 0.00 0.51 0.00 0.41 -1.61 0.00 0.00 178.31 177.62 3nfe n GLY 46 N -1.44 0.17 3.68 -1.45 0.00 -0.50 -4.83 105.19 100.81 3nfe n GLY 46 Ca 0.07 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 3nfe n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3nfe s ASN 47 N -4.00 6.75 0.00 1.61 3.04 -1.26 -4.84 114.94 116.24 3nfe s ASN 47 Ca 0.00 2.20 0.00 0.00 0.04 0.00 0.00 52.86 55.10 3nfe s ASN 47 Cb 0.00 -2.55 0.01 0.00 -1.54 0.00 0.00 41.25 37.16 3nfe s ASN 47 CO 0.00 -0.82 0.90 0.18 -3.04 0.00 0.00 177.10 174.32 3nfe n LEU 48 N 6.07 0.01 -0.03 3.21 4.77 -1.26 -4.34 117.00 125.43 3nfe n LEU 48 Ca 0.15 -1.02 -0.12 0.00 -0.03 0.00 0.00 56.01 54.99 3nfe n LEU 48 Cb 0.43 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3nfe n LEU 48 CO 0.60 0.41 0.70 1.88 -1.33 0.00 0.00 177.39 179.66 3nfe h TYR 49 N 0.01 0.19 -3.20 -1.77 0.99 -1.97 -3.47 116.97 107.75 3nfe h TYR 49 Ca -0.00 -0.04 -0.44 0.00 2.00 0.00 0.00 58.73 60.25 3nfe h TYR 49 Cb 1.33 -0.05 -0.14 0.00 1.00 0.00 0.00 36.73 38.87 3nfe h TYR 49 CO 0.02 0.48 -0.59 0.54 -0.00 0.00 0.00 178.16 178.61 3nfe s ASN 50 N -5.74 1.98 0.09 3.88 2.20 -1.26 -5.05 114.94 111.04 3nfe s ASN 50 Ca -0.15 -1.44 -0.20 0.00 -0.94 0.00 0.00 52.86 50.14 3nfe s ASN 50 Cb 0.04 0.12 -0.09 0.00 -2.00 0.00 0.00 41.25 39.32 3nfe s ASN 50 CO 0.70 -0.72 1.65 0.00 -2.94 0.00 0.00 177.10 175.79 3nfe h ALA 51 N 2.16 0.25 -0.34 3.54 0.00 -1.99 -2.53 119.26 120.36 3nfe h ALA 51 Ca -0.39 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.48 3nfe h ALA 51 Cb 1.25 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3nfe h ALA 51 CO 0.64 -0.17 -0.47 0.93 0.00 0.00 0.00 179.25 180.17 3nfe h GLU 52 N 0.17 -0.38 -0.34 0.00 3.07 -1.97 -0.61 114.58 114.51 3nfe h GLU 52 Ca 0.06 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.02 3nfe h GLU 52 Cb 0.15 0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 28.08 3nfe h GLU 52 CO -0.01 -0.26 -0.12 0.78 -1.40 0.00 0.00 179.01 178.00 3nfe h GLY 53 N -0.40 0.18 0.54 -3.84 0.00 -1.91 -1.63 103.07 96.01 3nfe h GLY 53 Ca 0.10 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.63 3nfe h GLY 53 CO -0.54 -0.16 -0.11 -2.22 0.00 0.00 0.00 176.54 173.51 3nfe h ILE 54 N -0.06 0.68 0.00 2.60 2.04 -1.01 0.30 117.51 122.07 3nfe h ILE 54 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3nfe h ILE 54 Cb 0.31 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3nfe h ILE 54 CO -0.38 0.00 0.00 0.23 0.00 0.00 0.00 178.15 178.00 3nfe n MET 55 N -5.26 0.05 -0.05 2.37 2.81 -0.27 -1.51 117.12 115.26 3nfe n MET 55 Ca -0.03 0.28 0.04 0.00 -1.81 0.00 0.00 57.70 56.18 3nfe n MET 55 Cb 0.18 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.24 3nfe n MET 55 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3nfe n SER 56 N -1.43 1.85 -4.63 7.83 3.41 -0.65 -5.00 113.62 115.01 3nfe n SER 56 Ca 0.03 -2.31 -0.42 0.00 -0.26 0.00 0.00 58.87 55.92 3nfe n SER 56 Cb 0.11 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3nfe n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3nfe s ASN 57 N -1.59 6.75 0.23 4.04 3.84 0.00 -4.94 114.94 123.28 3nfe s ASN 57 Ca 0.11 0.85 -0.06 0.00 0.21 0.00 0.00 52.86 53.97 3nfe s ASN 57 Cb 0.10 -2.43 0.21 0.00 -0.55 0.00 0.00 41.25 38.58 3nfe s ASN 57 CO 0.01 -0.59 1.80 0.00 -2.79 0.00 0.00 177.10 175.52 3nfe h ALA 58 N 7.93 1.09 0.04 1.71 0.00 -1.90 -2.33 119.26 125.81 3nfe h ALA 58 Ca -0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 3nfe h ALA 58 Cb 1.09 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3nfe h ALA 58 CO 0.89 0.65 -0.02 -0.91 0.00 0.00 0.00 179.25 179.86 3nfe h ASN 59 N 1.12 -0.05 -0.61 0.00 4.21 -1.92 0.28 115.58 118.60 3nfe h ASN 59 Ca 0.26 -0.07 0.10 0.00 1.21 0.00 0.00 56.30 57.80 3nfe h ASN 59 Cb 0.21 0.01 -0.08 0.00 -1.12 0.00 0.00 38.32 37.35 3nfe h ASN 59 CO -0.02 0.03 0.20 0.58 -1.29 0.00 0.00 177.43 176.93 3nfe h VAL 60 N -0.13 0.72 -0.19 2.81 2.07 -1.90 0.28 116.25 119.92 3nfe h VAL 60 Ca -0.01 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3nfe h VAL 60 Cb 0.11 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 3nfe h VAL 60 CO 0.01 0.07 -0.12 0.00 0.02 0.00 0.00 177.57 177.55 3nfe h ALA 61 N 1.44 0.03 -0.36 1.67 0.00 -0.76 0.20 119.26 121.48 3nfe h ALA 61 Ca 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3nfe h ALA 61 Cb 0.42 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3nfe h ALA 61 CO -0.34 -0.55 0.11 0.00 0.00 0.00 0.00 179.25 178.47 3nfe h ALA 62 N 1.03 1.52 0.01 0.00 0.00 0.69 -2.54 119.26 119.97 3nfe h ALA 62 Ca 0.11 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 3nfe h ALA 62 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3nfe h ALA 62 CO -0.25 0.36 -0.92 1.25 0.00 0.00 0.00 179.25 179.69 3nfe h HIS 63 N 0.51 0.05 -0.02 0.00 6.17 0.67 -2.93 115.15 119.60 3nfe h HIS 63 Ca 0.12 -0.03 -0.15 0.00 0.71 0.00 0.00 60.37 61.02 3nfe h HIS 63 Cb 0.16 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.07 3nfe h HIS 63 CO 0.01 0.93 -0.68 0.78 0.71 0.00 0.00 177.93 179.67 3nfe h GLY 64 N 2.59 0.09 1.45 5.26 0.00 -0.46 -0.80 103.07 111.21 3nfe h GLY 64 Ca -0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3nfe h GLY 64 CO 0.12 0.12 -0.14 -2.22 0.00 0.00 0.00 176.54 174.42 3nfe h ILE 65 N 0.06 1.25 0.01 2.60 2.04 -1.42 0.93 117.51 122.98 3nfe h ILE 65 Ca -0.01 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 3nfe h ILE 65 Cb 1.21 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3nfe h ILE 65 CO 0.09 0.38 -0.00 0.50 0.00 0.00 0.00 178.15 179.13 3nfe h LYS 66 N 0.60 -0.01 0.00 2.37 3.64 -1.42 -2.19 116.57 119.56 3nfe h LYS 66 Ca 0.10 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3nfe h LYS 66 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3nfe h LYS 66 CO 0.04 0.29 -0.26 0.28 -2.27 0.00 0.00 179.45 177.53 3nfe h VAL 67 N -0.31 1.02 -0.10 2.00 2.07 -0.91 -1.08 116.25 118.94 3nfe h VAL 67 Ca -0.00 -0.93 -0.20 0.00 0.82 0.00 0.00 66.70 66.39 3nfe h VAL 67 Cb 0.30 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3nfe h VAL 67 CO 0.00 0.25 -0.75 0.25 0.02 0.00 0.00 177.57 177.35 3nfe h LEU 68 N 0.00 0.62 -1.29 2.57 5.85 -0.75 -3.06 115.31 119.25 3nfe h LEU 68 Ca -0.00 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 3nfe h LEU 68 Cb 0.50 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3nfe h LEU 68 CO 0.03 1.16 -0.27 0.45 -0.34 0.00 0.00 178.44 179.48 3nfe h HIS 69 N 0.35 0.00 -0.77 1.25 3.86 -0.72 -2.60 115.15 116.52 3nfe h HIS 69 Ca -0.04 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.33 3nfe h HIS 69 Cb 1.34 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.70 3nfe h HIS 69 CO 0.06 0.27 0.27 0.78 0.86 0.00 0.00 177.93 180.16 3nfe h GLY 70 N 1.61 1.16 1.66 2.45 0.00 -1.11 -0.68 103.07 108.17 3nfe h GLY 70 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3nfe h GLY 70 CO 0.03 -0.17 0.17 1.41 0.00 0.00 0.00 176.54 177.98 3nfe h LEU 71 N 0.37 0.00 -0.60 3.11 3.38 -1.54 -3.12 115.31 116.90 3nfe h LEU 71 Ca 0.44 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.46 3nfe h LEU 71 Cb 0.73 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3nfe h LEU 71 CO -0.47 0.00 0.33 0.44 0.09 0.00 0.00 178.44 178.84 3nfe h ASP 72 N 0.00 0.50 -0.23 -0.43 5.19 -1.29 -1.38 116.42 118.78 3nfe h ASP 72 Ca 0.00 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.50 3nfe h ASP 72 Cb 0.34 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.71 3nfe h ASP 72 CO -0.00 0.34 -0.17 0.08 -3.12 0.00 0.00 179.24 176.36 3nfe h ARG 73 N 0.63 -0.17 -0.59 3.56 0.11 -1.75 0.19 114.38 116.37 3nfe h ARG 73 Ca 0.26 0.01 0.04 0.00 0.10 0.00 0.00 59.98 60.39 3nfe h ARG 73 Cb 0.14 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.21 3nfe h ARG 73 CO -0.16 -0.11 0.34 0.78 0.10 0.00 0.00 179.97 180.92 3nfe h GLY 74 N -0.17 0.85 2.00 0.08 0.00 -1.68 -0.77 103.07 103.38 3nfe h GLY 74 Ca 0.13 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 3nfe h GLY 74 CO -0.33 0.19 -0.40 0.00 0.00 0.00 0.00 176.54 176.00 3nfe h MET 75 N 0.67 0.00 -0.79 4.80 -0.00 -0.07 -1.41 114.93 118.13 3nfe h MET 75 Ca 0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.89 3nfe h MET 75 Cb 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.64 3nfe h MET 75 CO -0.13 0.40 0.08 1.63 -0.00 0.00 0.00 176.91 178.89 3nfe n LYS 76 N -3.99 3.13 -2.70 -0.10 5.02 0.54 -4.10 118.16 115.96 3nfe n LYS 76 Ca -0.02 -1.95 -0.07 0.00 -2.02 0.00 0.00 58.31 54.25 3nfe n LYS 76 Cb 0.44 -1.94 0.12 0.00 -0.02 0.00 0.00 35.03 33.63 3nfe n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3nfe n ASN 77 N 0.22 -1.68 -0.10 4.39 2.85 -0.37 -4.98 115.26 115.58 3nfe n ASN 77 Ca 0.21 -2.44 0.16 0.00 -0.11 0.00 0.00 54.58 52.40 3nfe n ASN 77 Cb 0.92 0.90 0.56 0.00 1.24 0.00 0.00 39.78 43.40 3nfe n ASN 77 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3nfe h MET 78 N 1.94 0.28 -0.16 1.20 2.86 -1.64 -1.87 114.93 117.55 3nfe h MET 78 Ca -0.29 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3nfe h MET 78 Cb 1.29 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.89 3nfe h MET 78 CO -0.05 0.19 0.00 -0.25 1.06 0.00 0.00 176.91 177.85 3nfe n ASP 79 N -4.45 3.12 -2.69 1.22 8.00 -1.26 -4.42 116.55 116.07 3nfe n ASP 79 Ca 0.12 -1.98 -0.15 0.00 0.71 0.00 0.00 54.79 53.50 3nfe n ASP 79 Cb 0.51 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 3nfe n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3nfe n ASN 80 N 1.37 2.24 -0.30 -2.24 2.85 -0.71 -4.95 115.26 113.51 3nfe n ASN 80 Ca 0.16 -3.01 -0.02 0.00 -0.11 0.00 0.00 54.58 51.60 3nfe n ASN 80 Cb 0.59 -0.52 0.15 0.00 1.24 0.00 0.00 39.78 41.23 3nfe n ASN 80 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3nfe h ILE 81 N 2.69 1.24 -0.39 -1.44 2.04 -1.75 -2.84 117.51 117.07 3nfe h ILE 81 Ca 0.02 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3nfe h ILE 81 Cb 1.07 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3nfe h ILE 81 CO 0.59 0.25 0.23 0.00 0.00 0.00 0.00 178.15 179.22 3nfe h ALA 82 N 1.38 0.49 -0.51 1.87 0.00 -1.91 -2.53 119.26 118.05 3nfe h ALA 82 Ca 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3nfe h ALA 82 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3nfe h ALA 82 CO -0.06 -0.00 0.27 -0.44 0.00 0.00 0.00 179.25 179.02 3nfe h ASP 83 N 0.50 0.62 0.66 0.00 3.45 -1.92 -1.10 116.42 118.63 3nfe h ASP 83 Ca 0.14 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3nfe h ASP 83 Cb 0.02 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3nfe h ASP 83 CO -0.02 0.51 0.00 0.00 -1.57 0.00 0.00 179.24 178.16 3nfe n ALA 84 N -2.46 1.70 -0.06 3.45 0.00 -0.96 -3.20 120.51 118.98 3nfe n ALA 84 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3nfe n ALA 84 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3nfe n ALA 84 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3nfe n TYR 85 N -1.90 0.00 -0.21 0.00 4.01 -0.51 -4.76 117.16 113.80 3nfe n TYR 85 Ca 0.03 -0.10 0.02 0.00 -0.16 0.00 0.00 57.90 57.68 3nfe n TYR 85 Cb 0.21 -0.01 0.11 0.00 -0.31 0.00 0.00 39.34 39.35 3nfe n TYR 85 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3nfe h THR 86 N 0.08 0.52 -0.07 -0.72 2.02 -1.28 0.74 112.91 114.21 3nfe h THR 86 Ca 0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 3nfe h THR 86 Cb 0.14 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3nfe h THR 86 CO 0.00 0.03 -0.23 0.44 0.37 0.00 0.00 175.52 176.13 3nfe h ASP 87 N 0.16 0.32 -0.99 4.18 3.45 -1.86 -2.08 116.42 119.60 3nfe h ASP 87 Ca 0.33 -0.62 0.23 0.00 0.43 0.00 0.00 57.03 57.40 3nfe h ASP 87 Cb 0.54 -0.09 -0.09 0.00 -0.56 0.00 0.00 39.33 39.13 3nfe h ASP 87 CO -0.50 0.89 0.64 -0.07 -1.57 0.00 0.00 179.24 178.62 3nfe h LEU 88 N -0.23 0.49 -0.62 1.55 3.38 -1.66 0.80 115.31 119.01 3nfe h LEU 88 Ca -0.01 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3nfe h LEU 88 Cb 0.87 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3nfe h LEU 88 CO 0.05 0.14 -0.60 -1.28 0.09 0.00 0.00 178.44 176.84 3nfe h SER 89 N 0.46 0.32 0.00 -0.43 0.87 0.60 0.89 113.55 116.27 3nfe h SER 89 Ca 0.55 -0.18 -0.19 0.00 -1.23 0.00 0.00 61.79 60.74 3nfe h SER 89 Cb 1.30 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 63.18 3nfe h SER 89 CO -0.27 0.85 -0.74 0.74 -0.53 0.00 0.00 176.83 176.88 3nfe h THR 90 N 0.21 1.38 -0.43 2.23 2.02 0.12 0.15 112.91 118.60 3nfe h THR 90 Ca -0.01 -2.14 0.09 0.00 0.77 0.00 0.00 66.41 65.13 3nfe h THR 90 Cb 1.11 2.54 -0.09 0.00 -1.74 0.00 0.00 68.15 69.98 3nfe h THR 90 CO 0.10 0.63 -0.15 0.25 0.37 0.00 0.00 175.52 176.72 3nfe h LEU 91 N 0.04 -0.52 -0.98 2.58 5.85 0.52 1.48 115.31 124.27 3nfe h LEU 91 Ca -0.09 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3nfe h LEU 91 Cb 1.44 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 3nfe h LEU 91 CO 0.15 -0.18 -0.43 0.45 -0.34 0.00 0.00 178.44 178.08 3nfe h HIS 92 N -0.05 0.19 0.00 1.25 3.86 -0.78 -2.34 115.15 117.28 3nfe h HIS 92 Ca 0.21 -0.05 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 3nfe h HIS 92 Cb 0.37 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3nfe h HIS 92 CO -0.41 0.57 -0.88 1.03 0.86 0.00 0.00 177.93 179.10 3nfe h SER 93 N 0.14 0.00 0.57 2.45 0.87 0.46 -2.18 113.55 115.86 3nfe h SER 93 Ca 0.01 -0.45 -0.27 0.00 -1.23 0.00 0.00 61.79 59.85 3nfe h SER 93 Cb 0.82 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 3nfe h SER 93 CO 0.06 1.23 -1.60 -0.33 -0.53 0.00 0.00 176.83 175.67 3nfe h GLU 94 N -1.00 0.00 0.09 2.24 5.08 0.19 -3.31 114.58 117.87 3nfe h GLU 94 Ca -0.22 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.78 3nfe h GLU 94 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 3nfe h GLU 94 CO -0.13 0.54 -2.08 1.63 -1.00 0.00 0.00 179.01 177.97 3nfe n LYS 95 N -3.07 0.73 -0.01 2.33 5.02 -0.92 -4.56 118.16 117.68 3nfe n LYS 95 Ca -0.14 0.24 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 3nfe n LYS 95 Cb 1.02 -1.68 -0.12 0.00 -0.02 0.00 0.00 35.03 34.24 3nfe n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3nfe n LEU 96 N -3.40 0.26 -3.27 -0.35 4.77 -0.97 -5.00 117.00 109.04 3nfe n LEU 96 Ca -0.34 -0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.29 3nfe n LEU 96 Cb 1.04 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.21 3nfe n LEU 96 CO 0.40 0.07 0.16 1.41 -1.33 0.00 0.00 177.39 178.09 3nfe n HIS 97 N -1.85 -2.28 -3.22 -1.77 8.25 -1.09 -4.99 115.22 108.28 3nfe n HIS 97 Ca -0.01 0.89 -0.39 0.00 -0.26 0.00 0.00 57.72 57.95 3nfe n HIS 97 Cb 0.38 -4.77 -0.06 0.00 1.12 0.00 0.00 29.99 26.66 3nfe n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3nfe s VAL 98 N -3.31 4.97 -0.10 1.59 1.01 -0.84 -5.02 120.40 118.70 3nfe s VAL 98 Ca 0.23 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 3nfe s VAL 98 Cb -0.10 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3nfe s VAL 98 CO 0.67 0.39 1.28 -0.62 0.00 0.00 0.00 175.10 176.82 3nfe s ASP 99 N -0.00 6.96 0.65 3.32 -1.08 -1.26 -4.80 116.67 120.45 3nfe s ASP 99 Ca 0.31 1.82 0.42 0.00 -0.52 0.00 0.00 52.55 54.58 3nfe s ASP 99 Cb -0.18 -2.55 2.26 0.00 -1.46 0.00 0.00 42.92 41.00 3nfe s ASP 99 CO 0.16 -0.70 2.32 -0.65 0.52 0.00 0.00 175.17 176.82 3nfe h PRO 100 N 7.95 0.00 -0.03 4.34 0.11 -1.97 -0.59 132.00 141.82 3nfe h PRO 100 Ca -0.31 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.80 3nfe h PRO 100 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3nfe h PRO 100 CO 0.93 0.00 0.02 0.22 -0.21 0.00 0.00 178.00 178.96 3nfe h ASP 101 N 0.00 0.00 0.45 -2.05 3.58 -2.00 0.12 116.42 116.51 3nfe h ASP 101 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3nfe h ASP 101 Cb 0.06 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 3nfe h ASP 101 CO 0.00 0.00 -0.01 0.78 -2.88 0.00 0.00 179.24 177.13 3nfe h ASN 102 N 0.00 0.00 -0.57 2.28 -0.26 -1.49 -1.86 115.58 113.68 3nfe h ASN 102 Ca 0.01 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.68 3nfe h ASN 102 Cb 0.06 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 3nfe h ASN 102 CO -0.00 0.01 0.11 -0.26 -1.06 0.00 0.00 177.43 176.23 3nfe h PHE 103 N 0.00 1.02 -0.46 1.19 0.04 -1.14 -1.58 116.94 116.02 3nfe h PHE 103 Ca -0.00 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.57 3nfe h PHE 103 Cb 0.24 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3nfe h PHE 103 CO 0.00 0.87 -0.03 0.87 -0.60 0.00 0.00 178.31 179.42 3nfe h LYS 104 N 0.92 0.77 -0.08 1.51 1.57 -1.45 -2.50 116.57 117.32 3nfe h LYS 104 Ca 0.19 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3nfe h LYS 104 Cb 0.39 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3nfe h LYS 104 CO 0.01 0.80 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.28 3nfe h LEU 105 N 0.72 0.43 -1.33 2.94 3.38 -1.35 -2.66 115.31 117.43 3nfe h LEU 105 Ca 0.14 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3nfe h LEU 105 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3nfe h LEU 105 CO 0.02 1.00 0.12 0.25 0.09 0.00 0.00 178.44 179.93 3nfe h LEU 106 N -0.11 0.52 -0.35 1.67 5.85 -1.34 -2.16 115.31 119.39 3nfe h LEU 106 Ca -0.02 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3nfe h LEU 106 Cb 0.99 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 3nfe h LEU 106 CO 0.07 0.51 0.19 0.28 -0.34 0.00 0.00 178.44 179.15 3nfe h SER 107 N 0.57 0.30 -0.21 1.25 0.02 -1.31 -0.13 113.55 114.04 3nfe h SER 107 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3nfe h SER 107 Cb 0.18 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3nfe h SER 107 CO -0.01 0.22 0.14 0.44 -1.14 0.00 0.00 176.83 176.48 3nfe h ASP 108 N 0.40 0.25 0.53 3.07 3.32 -1.09 0.77 116.42 123.67 3nfe h ASP 108 Ca 0.14 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.96 3nfe h ASP 108 Cb 0.03 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3nfe h ASP 108 CO -0.08 0.19 -0.99 0.00 -1.72 0.00 0.00 179.24 176.63 3nfe h ILE 110 N 0.14 1.27 -0.81 0.00 2.04 -0.24 -0.64 117.51 119.28 3nfe h ILE 110 Ca -0.08 -0.99 0.06 0.00 1.00 0.00 0.00 64.86 64.86 3nfe h ILE 110 Cb 1.65 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 39.15 3nfe h ILE 110 CO 0.16 0.30 0.49 0.74 0.00 0.00 0.00 178.15 179.84 3nfe h THR 111 N 0.16 1.02 -0.02 -0.27 2.02 -0.85 -0.41 112.91 114.55 3nfe h THR 111 Ca 0.06 -0.31 -0.16 0.00 0.77 0.00 0.00 66.41 66.77 3nfe h THR 111 Cb 0.47 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3nfe h THR 111 CO 0.02 0.16 -0.71 0.40 0.37 0.00 0.00 175.52 175.76 3nfe h ILE 112 N 0.89 1.46 0.02 3.11 2.04 -1.24 -1.49 117.51 122.30 3nfe h ILE 112 Ca 0.35 -2.29 -0.24 0.00 1.00 0.00 0.00 64.86 63.69 3nfe h ILE 112 Cb 0.17 2.22 0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3nfe h ILE 112 CO -0.17 0.66 -0.94 0.58 0.00 0.00 0.00 178.15 178.28 3nfe h VAL 113 N 0.09 1.33 -0.67 1.67 2.07 -0.53 -2.34 116.25 117.87 3nfe h VAL 113 Ca -0.02 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 3nfe h VAL 113 Cb 1.25 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 33.51 3nfe h VAL 113 CO 0.10 0.68 0.33 0.25 0.02 0.00 0.00 177.57 178.95 3nfe h LEU 114 N 0.21 0.87 -0.63 2.57 5.85 -1.14 -2.34 115.31 120.70 3nfe h LEU 114 Ca -0.12 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.54 3nfe h LEU 114 Cb 1.62 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 3nfe h LEU 114 CO 0.18 0.75 0.32 0.00 -0.34 0.00 0.00 178.44 179.35 3nfe h ALA 115 N 1.16 0.83 0.15 1.25 0.00 -1.24 0.65 119.26 122.06 3nfe h ALA 115 Ca 0.23 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3nfe h ALA 115 Cb 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3nfe h ALA 115 CO -0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 3nfe h ALA 116 N 1.35 -0.55 -0.22 0.00 0.00 -1.12 0.16 119.26 118.89 3nfe h ALA 116 Ca 0.29 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3nfe h ALA 116 Cb 0.23 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3nfe h ALA 116 CO -0.21 -0.86 0.09 -0.22 0.00 0.00 0.00 179.25 178.05 3nfe h LYS 117 N -0.55 0.20 0.00 0.00 1.63 -0.85 -3.06 116.57 113.94 3nfe h LYS 117 Ca 0.02 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3nfe h LYS 117 Cb 0.57 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3nfe h LYS 117 CO -0.16 0.13 -0.02 -1.33 -3.45 0.00 0.00 179.45 174.62 3nfe n MET 118 N -5.02 0.25 0.00 1.90 2.81 0.22 -4.96 117.12 112.31 3nfe n MET 118 Ca -0.02 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3nfe n MET 118 Cb 0.07 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 3nfe n MET 118 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nfe n GLY 119 N 1.32 2.28 0.37 3.03 0.00 0.56 -2.02 105.19 110.73 3nfe n GLY 119 Ca 0.06 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.31 3nfe n GLY 119 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3nfe h HIS 120 N 0.00 1.15 0.00 1.61 -0.00 -1.92 0.93 115.15 116.92 3nfe h HIS 120 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3nfe h HIS 120 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.04 3nfe h HIS 120 CO 0.00 0.50 0.02 0.00 -0.00 0.00 0.00 177.93 178.44 3nfe n ALA 121 N -2.36 1.00 -2.38 5.26 0.00 -0.86 -3.86 120.51 117.32 3nfe n ALA 121 Ca 0.18 0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 3nfe n ALA 121 Cb 0.31 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3nfe n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3nfe n PHE 122 N -1.91 4.02 -1.74 0.00 7.35 0.32 -4.92 117.46 120.57 3nfe n PHE 122 Ca -0.01 -2.98 -0.29 0.00 -0.76 0.00 0.00 57.45 53.40 3nfe n PHE 122 Cb 0.03 -2.35 0.09 0.00 0.35 0.00 0.00 39.48 37.60 3nfe n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nfe s THR 123 N 2.41 2.64 0.24 -2.13 -4.23 -1.25 -4.78 115.64 108.54 3nfe s THR 123 Ca 0.46 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 61.11 3nfe s THR 123 Cb 0.06 -3.10 0.23 0.00 1.34 0.00 0.00 72.50 71.04 3nfe s THR 123 CO -0.00 -0.27 1.91 0.00 -0.54 0.00 0.00 174.62 175.71 3nfe h ALA 124 N -1.04 1.21 -0.09 3.99 0.00 -1.93 0.20 119.26 121.60 3nfe h ALA 124 Ca -0.47 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 3nfe h ALA 124 Cb 1.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3nfe h ALA 124 CO 0.63 0.54 -0.48 1.05 0.00 0.00 0.00 179.25 180.99 3nfe h GLU 125 N 1.23 0.22 -0.41 0.00 4.11 -1.99 -0.56 114.58 117.17 3nfe h GLU 125 Ca 0.36 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 3nfe h GLU 125 Cb -0.08 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3nfe h GLU 125 CO -0.09 0.65 0.18 1.15 0.07 0.00 0.00 179.01 180.97 3nfe h THR 126 N 0.17 1.19 -0.26 -1.06 2.02 -1.65 -2.50 112.91 110.81 3nfe h THR 126 Ca 0.01 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.63 3nfe h THR 126 Cb 0.91 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3nfe h THR 126 CO 0.07 0.21 0.15 -0.61 0.37 0.00 0.00 175.52 175.71 3nfe h GLN 127 N 0.52 0.30 -0.32 6.66 4.15 -0.32 -1.46 115.11 124.65 3nfe h GLN 127 Ca 0.14 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.56 3nfe h GLN 127 Cb 0.16 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 3nfe h GLN 127 CO -0.01 0.20 0.16 0.78 -1.93 0.00 0.00 178.83 178.03 3nfe h GLY 128 N 0.31 0.43 1.01 2.39 0.00 -0.98 0.32 103.07 106.55 3nfe h GLY 128 Ca 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3nfe h GLY 128 CO -0.05 0.09 0.02 0.00 0.00 0.00 0.00 176.54 176.60 3nfe h ALA 129 N 1.17 0.68 -0.26 3.60 0.00 -1.34 0.70 119.26 123.81 3nfe h ALA 129 Ca 0.14 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3nfe h ALA 129 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3nfe h ALA 129 CO -0.10 0.47 -0.02 0.35 0.00 0.00 0.00 179.25 179.96 3nfe h PHE 130 N 0.75 0.52 -0.66 0.00 3.57 -1.08 -2.27 116.94 117.77 3nfe h PHE 130 Ca 0.15 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3nfe h PHE 130 Cb 0.49 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3nfe h PHE 130 CO 0.04 0.65 0.15 1.96 -2.23 0.00 0.00 178.31 178.88 3nfe h GLN 131 N 0.25 1.06 -0.86 1.11 4.20 -0.81 0.12 115.11 120.17 3nfe h GLN 131 Ca 0.07 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3nfe h GLN 131 Cb 0.46 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3nfe h GLN 131 CO 0.02 0.95 0.55 -0.22 -0.67 0.00 0.00 178.83 179.45 3nfe h LYS 132 N 1.00 1.15 0.09 1.46 3.64 -0.82 0.33 116.57 123.43 3nfe h LYS 132 Ca 0.21 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3nfe h LYS 132 Cb 0.37 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3nfe h LYS 132 CO 0.00 0.78 -0.04 0.35 -2.27 0.00 0.00 179.45 178.27 3nfe h PHE 133 N 1.18 -0.12 -0.39 1.91 3.57 -0.72 -0.94 116.94 121.43 3nfe h PHE 133 Ca 0.31 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.92 3nfe h PHE 133 Cb -0.10 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3nfe h PHE 133 CO -0.01 0.15 0.28 -0.07 -2.23 0.00 0.00 178.31 176.44 3nfe h LEU 134 N -0.38 0.03 -0.22 0.59 3.38 -0.50 -0.56 115.31 117.64 3nfe h LEU 134 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 3nfe h LEU 134 Cb 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3nfe h LEU 134 CO 0.02 0.02 -0.58 0.00 0.09 0.00 0.00 178.44 177.99 3nfe h ALA 135 N 1.80 0.37 -0.50 1.53 0.00 0.01 -2.63 119.26 119.84 3nfe h ALA 135 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3nfe h ALA 135 Cb 0.70 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3nfe h ALA 135 CO -0.01 0.61 0.15 0.00 0.00 0.00 0.00 179.25 180.00 3nfe h ALA 136 N 0.62 0.66 -0.78 0.00 0.00 0.27 -1.66 119.26 118.37 3nfe h ALA 136 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3nfe h ALA 136 Cb 1.19 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3nfe h ALA 136 CO 0.13 0.32 0.49 0.28 0.00 0.00 0.00 179.25 180.46 3nfe h VAL 137 N 0.68 1.21 -0.00 0.00 2.07 -1.39 -1.96 116.25 116.86 3nfe h VAL 137 Ca 0.16 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 3nfe h VAL 137 Cb 0.28 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3nfe h VAL 137 CO -0.00 0.21 -0.75 0.58 0.02 0.00 0.00 177.57 177.63 3nfe h VAL 138 N 1.06 1.52 -0.84 2.57 2.07 -1.08 0.27 116.25 121.81 3nfe h VAL 138 Ca 0.28 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 3nfe h VAL 138 Cb -0.09 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3nfe h VAL 138 CO -0.06 0.72 0.47 -1.28 0.02 0.00 0.00 177.57 177.45 3nfe h SER 139 N 0.02 1.04 -0.44 0.57 0.87 -0.80 -2.71 113.55 112.11 3nfe h SER 139 Ca -0.01 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 3nfe h SER 139 Cb 1.32 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 3nfe h SER 139 CO 0.10 0.83 0.15 0.00 -0.53 0.00 0.00 176.83 177.38 3nfe h ALA 140 N 1.25 0.58 -0.11 6.23 0.00 -0.89 -3.07 119.26 123.25 3nfe h ALA 140 Ca 0.30 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3nfe h ALA 140 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3nfe h ALA 140 CO -0.05 0.22 -0.25 -0.07 0.00 0.00 0.00 179.25 179.10 3nfe h LEU 141 N 0.57 0.18 -1.00 0.00 3.38 -0.78 -3.00 115.31 114.67 3nfe h LEU 141 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3nfe h LEU 141 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3nfe h LEU 141 CO -0.01 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.57 3nfe n GLY 142 N -0.64 0.12 0.10 0.83 0.00 -1.04 -4.37 105.19 100.20 3nfe n GLY 142 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 3nfe n GLY 142 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3nfe h LYS 143 N 2.12 0.22 -0.93 1.61 3.64 -1.45 -3.04 116.57 118.75 3nfe h LYS 143 Ca 0.00 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 3nfe h LYS 143 Cb 0.46 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 3nfe h LYS 143 CO 0.00 0.29 0.14 1.04 -2.27 0.00 0.00 179.45 178.65 3nfe n GLN 144 N -4.89 1.95 -3.47 1.90 1.13 -1.26 -4.83 117.38 107.91 3nfe n GLN 144 Ca -0.05 -1.19 -0.37 0.00 -1.94 0.00 0.00 57.00 53.45 3nfe n GLN 144 Cb 0.11 -1.61 -0.08 0.00 0.11 0.00 0.00 30.24 28.77 3nfe n GLN 144 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3nfe s TYR 145 N -1.46 3.39 0.00 1.08 1.51 -1.15 -4.76 117.35 115.95 3nfe s TYR 145 Ca 0.22 0.54 0.00 0.00 -1.01 0.00 0.00 57.07 56.82 3nfe s TYR 145 Cb 0.17 -2.43 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 3nfe s TYR 145 CO 0.05 0.07 0.00 -2.39 -1.11 0.00 0.00 175.55 172.17