#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyx n ALA 8 N 0.00 2.03 -0.54 0.55 0.00 -1.26 -4.99 120.51 116.31 2nyx n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2nyx n ALA 8 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2nyx n ALA 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2nyx n THR 9 N -1.86 0.00 -3.58 0.00 -1.04 -1.26 -5.06 114.28 101.49 2nyx n THR 9 Ca 0.00 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2nyx n THR 9 Cb 0.17 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 2nyx n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nyx n ALA 10 N -1.57 0.00 -1.33 2.41 0.00 -1.26 -5.11 120.51 113.65 2nyx n ALA 10 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2nyx n ALA 10 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2nyx n ALA 10 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2nyx s GLU 11 N -1.15 2.06 -0.20 0.00 2.02 -1.26 -5.13 118.70 115.03 2nyx s GLU 11 Ca 0.00 0.97 -0.09 0.00 0.02 0.00 0.00 54.97 55.87 2nyx s GLU 11 Cb 0.00 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.29 2nyx s GLU 11 CO 0.00 -1.72 0.11 -1.21 0.02 0.00 0.00 175.26 172.46 2nyx s GLU 12 N -4.97 4.07 0.54 1.61 2.02 -1.26 -5.08 118.70 115.63 2nyx s GLU 12 Ca 0.61 -0.28 -0.19 0.00 0.02 0.00 0.00 54.97 55.13 2nyx s GLU 12 Cb -0.16 -3.37 -0.06 0.00 0.10 0.00 0.00 34.13 30.64 2nyx s GLU 12 CO 0.56 0.22 1.09 -1.54 0.02 0.00 0.00 175.26 175.61 2nyx s SER 13 N 0.56 5.87 0.25 -0.19 1.04 -1.26 -4.91 113.70 115.06 2nyx s SER 13 Ca 0.06 2.03 -0.09 0.00 0.48 0.00 0.00 55.95 58.43 2nyx s SER 13 Cb -0.12 -2.56 0.40 0.00 0.10 0.00 0.00 66.02 63.83 2nyx s SER 13 CO 0.00 -1.11 1.60 0.58 0.98 0.00 0.00 173.24 175.30 2nyx h VAL 14 N 1.10 0.22 -0.10 5.02 2.07 -1.99 -2.41 116.25 120.16 2nyx h VAL 14 Ca -0.49 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2nyx h VAL 14 Cb 1.24 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2nyx h VAL 14 CO 0.57 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 178.50 2nyx h ASP 15 N 0.03 -0.33 0.15 0.57 3.32 -1.99 0.13 116.42 118.29 2nyx h ASP 15 Ca 0.41 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.44 2nyx h ASP 15 Cb 0.67 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 2nyx h ASP 15 CO -0.79 -0.15 -0.29 -0.37 -1.72 0.00 0.00 179.24 175.92 2nyx h VAL 16 N -0.14 1.25 -0.24 -1.35 -1.51 -1.88 -0.69 116.25 111.71 2nyx h VAL 16 Ca 0.08 -1.21 -0.06 0.00 -1.23 0.00 0.00 66.70 64.28 2nyx h VAL 16 Cb 0.24 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 2nyx h VAL 16 CO -0.18 0.36 -0.10 0.40 -1.23 0.00 0.00 177.57 176.82 2nyx h ILE 17 N 0.21 1.30 -0.07 7.19 2.04 -0.94 -2.58 117.51 124.65 2nyx h ILE 17 Ca 0.03 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 2nyx h ILE 17 Cb 0.62 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2nyx h ILE 17 CO 0.05 0.36 0.04 0.74 0.00 0.00 0.00 178.15 179.33 2nyx h THR 18 N 0.21 1.09 -0.76 -0.27 2.02 -0.58 -1.44 112.91 113.18 2nyx h THR 18 Ca 0.05 -0.26 0.06 0.00 0.77 0.00 0.00 66.41 67.04 2nyx h THR 18 Cb 0.60 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 2nyx h THR 18 CO 0.03 0.08 0.45 0.44 0.37 0.00 0.00 175.52 176.88 2nyx h ASP 19 N 0.02 0.68 -0.48 4.18 3.32 -1.18 0.23 116.42 123.18 2nyx h ASP 19 Ca 0.03 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 2nyx h ASP 19 Cb 0.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2nyx h ASP 19 CO -0.00 0.43 -0.09 0.00 -1.72 0.00 0.00 179.24 177.86 2nyx h ALA 20 N 1.38 0.86 -0.28 3.45 0.00 -1.29 -2.27 119.26 121.10 2nyx h ALA 20 Ca 0.34 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2nyx h ALA 20 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2nyx h ALA 20 CO -0.18 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.39 2nyx h LEU 21 N 0.86 0.57 -0.09 0.00 3.38 -0.72 -1.90 115.31 117.40 2nyx h LEU 21 Ca 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2nyx h LEU 21 Cb 0.63 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2nyx h LEU 21 CO 0.04 0.81 0.05 0.25 0.09 0.00 0.00 178.44 179.69 2nyx h LEU 22 N 0.49 0.11 -0.57 1.67 5.85 -0.23 0.11 115.31 122.74 2nyx h LEU 22 Ca 0.07 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2nyx h LEU 22 Cb 0.71 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2nyx h LEU 22 CO 0.05 0.15 0.19 0.74 -0.34 0.00 0.00 178.44 179.24 2nyx h THR 23 N 0.06 1.24 -0.85 1.05 2.02 -1.40 -2.31 112.91 112.72 2nyx h THR 23 Ca 0.03 -0.78 0.08 0.00 0.77 0.00 0.00 66.41 66.52 2nyx h THR 23 Cb 0.06 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 2nyx h THR 23 CO -0.01 0.29 0.55 0.00 0.37 0.00 0.00 175.52 176.73 2nyx h ALA 24 N 1.06 1.64 -0.29 6.16 0.00 -1.14 -1.95 119.26 124.73 2nyx h ALA 24 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2nyx h ALA 24 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2nyx h ALA 24 CO -0.01 0.21 -0.16 0.66 0.00 0.00 0.00 179.25 179.95 2nyx h SER 25 N 0.87 0.49 -0.38 0.00 4.64 -0.26 -1.86 113.55 117.06 2nyx h SER 25 Ca 0.38 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 2nyx h SER 25 Cb 0.34 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2nyx h SER 25 CO -0.15 0.67 -0.06 0.03 -0.87 0.00 0.00 176.83 176.45 2nyx h ARG 26 N 0.46 0.80 -0.11 4.77 3.08 -0.91 -1.60 114.38 120.87 2nyx h ARG 26 Ca 0.08 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.76 2nyx h ARG 26 Cb 0.54 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2nyx h ARG 26 CO 0.03 0.84 -0.51 1.25 -1.07 0.00 0.00 179.97 180.52 2nyx h LEU 27 N 0.73 0.31 -0.32 3.04 5.85 -0.97 -1.06 115.31 122.90 2nyx h LEU 27 Ca 0.13 -0.16 -0.20 0.00 0.84 0.00 0.00 57.88 58.50 2nyx h LEU 27 Cb 0.54 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2nyx h LEU 27 CO 0.03 0.77 -0.74 -0.07 -0.34 0.00 0.00 178.44 178.09 2nyx h LEU 28 N 0.23 0.65 -0.55 2.25 3.38 -1.20 -1.86 115.31 118.21 2nyx h LEU 28 Ca 0.01 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2nyx h LEU 28 Cb 0.98 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2nyx h LEU 28 CO 0.08 1.19 0.31 0.58 0.09 0.00 0.00 178.44 180.69 2nyx h VAL 29 N 0.38 1.18 -0.77 1.22 2.07 -1.21 0.02 116.25 119.13 2nyx h VAL 29 Ca -0.04 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.15 2nyx h VAL 29 Cb 1.34 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 2nyx h VAL 29 CO 0.14 0.19 0.41 0.00 0.02 0.00 0.00 177.57 178.33 2nyx h ALA 30 N 1.15 1.09 -0.33 1.67 0.00 -1.05 0.40 119.26 122.18 2nyx h ALA 30 Ca 0.20 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2nyx h ALA 30 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2nyx h ALA 30 CO -0.03 0.02 0.02 0.82 0.00 0.00 0.00 179.25 180.07 2nyx h ILE 31 N 0.69 1.25 -0.46 0.00 2.04 -0.92 -2.16 117.51 117.95 2nyx h ILE 31 Ca 0.38 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 2nyx h ILE 31 Cb 0.39 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2nyx h ILE 31 CO -0.27 0.30 0.06 0.28 0.00 0.00 0.00 178.15 178.53 2nyx h SER 32 N 0.39 0.74 -0.11 1.72 0.02 -0.39 -1.89 113.55 114.03 2nyx h SER 32 Ca 0.10 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2nyx h SER 32 Cb 0.42 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2nyx h SER 32 CO 0.01 0.82 0.01 0.00 -1.14 0.00 0.00 176.83 176.54 2nyx h ALA 33 N 0.95 0.10 -0.60 3.77 0.00 -0.18 0.33 119.26 123.64 2nyx h ALA 33 Ca 0.14 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2nyx h ALA 33 Cb 0.40 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 2nyx h ALA 33 CO 0.01 -0.45 0.06 1.25 0.00 0.00 0.00 179.25 180.12 2nyx h HIS 34 N 0.05 0.07 -0.07 0.00 6.17 -1.36 -1.96 115.15 118.05 2nyx h HIS 34 Ca 0.05 0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.13 2nyx h HIS 34 Cb 0.05 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.04 2nyx h HIS 34 CO -0.13 -0.10 -0.13 0.77 0.71 0.00 0.00 177.93 179.05 2nyx h SER 35 N 0.18 0.24 -0.06 3.26 0.02 -0.46 -2.83 113.55 113.89 2nyx h SER 35 Ca 0.31 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2nyx h SER 35 Cb 0.49 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2nyx h SER 35 CO -0.46 0.74 0.02 0.40 -1.14 0.00 0.00 176.83 176.39 2nyx h ILE 36 N -0.26 1.16 -0.59 3.27 2.04 -0.36 -3.13 117.51 119.64 2nyx h ILE 36 Ca 0.00 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 2nyx h ILE 36 Cb 0.70 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2nyx h ILE 36 CO 0.03 0.13 0.27 0.00 0.00 0.00 0.00 178.15 178.58 2nyx h ALA 37 N 0.84 1.38 -0.35 1.87 0.00 -1.44 0.45 119.26 121.99 2nyx h ALA 37 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2nyx h ALA 37 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2nyx h ALA 37 CO -0.00 0.49 0.16 0.37 0.00 0.00 0.00 179.25 180.27 2nyx h GLN 38 N 0.83 0.49 0.04 0.00 5.75 -1.47 -3.26 115.11 117.48 2nyx h GLN 38 Ca 0.20 -0.05 -0.37 0.00 -0.15 0.00 0.00 58.65 58.29 2nyx h GLN 38 Cb 0.10 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 2nyx h GLN 38 CO -0.03 0.39 -2.10 0.28 -2.65 0.00 0.00 178.83 174.73 2nyx n VAL 39 N -4.42 1.59 -3.33 2.39 0.31 -0.79 -4.93 118.33 109.16 2nyx n VAL 39 Ca 0.02 -0.44 -0.09 0.00 -0.01 0.00 0.00 64.34 63.82 2nyx n VAL 39 Cb 0.12 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.23 2nyx n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nyx s ASP 40 N -6.96 0.33 0.12 4.52 -1.08 0.15 -5.03 116.67 108.72 2nyx s ASP 40 Ca -0.31 -0.05 0.22 0.00 -0.52 0.00 0.00 52.55 51.89 2nyx s ASP 40 Cb 0.09 1.11 0.88 0.00 -1.46 0.00 0.00 42.92 43.53 2nyx s ASP 40 CO 0.62 -0.32 1.68 -1.84 0.52 0.00 0.00 175.17 175.83 2nyx n GLU 41 N 5.36 0.11 -0.08 4.34 0.28 -1.23 -3.47 120.64 125.95 2nyx n GLU 41 Ca -0.02 0.26 -0.08 0.00 -0.16 0.00 0.00 57.16 57.17 2nyx n GLU 41 Cb 0.50 -1.68 -0.13 0.00 1.43 0.00 0.00 31.44 31.56 2nyx n GLU 41 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2nyx n ASN 42 N -1.88 1.04 -4.65 -1.84 5.03 -1.26 -4.95 115.26 106.75 2nyx n ASN 42 Ca 0.04 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.05 2nyx n ASN 42 Cb 0.26 0.90 -0.02 0.00 -1.02 0.00 0.00 39.78 39.91 2nyx n ASN 42 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2nyx n ILE 43 N -2.59 1.72 -2.57 2.41 3.06 -1.23 -4.98 119.36 115.18 2nyx n ILE 43 Ca -0.26 -0.43 -0.24 0.00 -2.50 0.00 0.00 62.75 59.32 2nyx n ILE 43 Cb 1.02 -1.31 0.12 0.00 0.54 0.00 0.00 39.64 40.01 2nyx n ILE 43 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2nyx s THR 44 N -0.82 2.05 0.03 9.51 -4.23 -1.26 -4.91 115.64 116.00 2nyx s THR 44 Ca 0.60 -0.58 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 2nyx s THR 44 Cb -0.65 -2.47 -0.17 0.00 1.34 0.00 0.00 72.50 70.56 2nyx s THR 44 CO 0.58 0.00 1.34 0.40 -0.54 0.00 0.00 174.62 176.41 2nyx h ILE 45 N -0.64 0.46 0.00 2.99 2.04 -1.99 -2.00 117.51 118.37 2nyx h ILE 45 Ca -0.35 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 2nyx h ILE 45 Cb 1.26 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2nyx h ILE 45 CO 0.38 0.05 -0.24 1.55 0.00 0.00 0.00 178.15 179.89 2nyx h PRO 46 N -0.87 0.00 0.21 2.37 0.13 -1.99 -1.49 132.00 130.37 2nyx h PRO 46 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2nyx h PRO 46 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2nyx h PRO 46 CO 0.11 0.24 -0.10 1.96 -0.23 0.00 0.00 178.00 179.98 2nyx h GLN 47 N 0.00 -0.27 -0.89 0.86 4.20 -1.95 -2.04 115.11 115.01 2nyx h GLN 47 Ca -0.00 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2nyx h GLN 47 Cb 0.48 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 2nyx h GLN 47 CO 0.03 0.02 0.48 0.35 -0.67 0.00 0.00 178.83 179.03 2nyx h PHE 48 N -0.56 1.24 -0.76 2.96 3.57 -1.22 -1.85 116.94 120.32 2nyx h PHE 48 Ca -0.03 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.46 2nyx h PHE 48 Cb 0.41 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 2nyx h PHE 48 CO 0.01 0.87 0.49 0.00 -2.23 0.00 0.00 178.31 177.45 2nyx h ARG 49 N 1.26 0.93 -0.06 1.11 3.08 -1.29 -0.20 114.38 119.20 2nyx h ARG 49 Ca 0.31 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.34 2nyx h ARG 49 Cb 0.05 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 2nyx h ARG 49 CO -0.05 0.61 -0.19 1.15 -1.07 0.00 0.00 179.97 180.43 2nyx h THR 50 N 0.96 0.54 -0.67 2.04 2.02 -0.78 -0.73 112.91 116.28 2nyx h THR 50 Ca 0.30 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.58 2nyx h THR 50 Cb -0.00 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 2nyx h THR 50 CO -0.10 0.00 0.30 -0.07 0.37 0.00 0.00 175.52 176.01 2nyx h LEU 51 N -0.27 0.35 -0.35 2.58 4.07 -0.53 -1.78 115.31 119.37 2nyx h LEU 51 Ca 0.08 0.07 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 2nyx h LEU 51 Cb 0.38 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2nyx h LEU 51 CO -0.22 0.19 -0.04 0.58 -1.08 0.00 0.00 178.44 177.88 2nyx h VAL 52 N 0.51 1.27 -0.43 1.22 2.07 -0.87 -1.83 116.25 118.18 2nyx h VAL 52 Ca 0.34 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.88 2nyx h VAL 52 Cb 0.40 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 2nyx h VAL 52 CO -0.30 0.35 -0.03 0.40 0.02 0.00 0.00 177.57 178.01 2nyx h ILE 53 N 0.45 0.64 -0.34 4.57 2.04 -0.60 0.15 117.51 124.43 2nyx h ILE 53 Ca 0.10 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 2nyx h ILE 53 Cb 0.52 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2nyx h ILE 53 CO 0.03 0.01 -0.25 -0.07 0.00 0.00 0.00 178.15 177.87 2nyx h LEU 54 N 0.08 0.68 -0.62 1.44 3.38 -1.25 0.16 115.31 119.18 2nyx h LEU 54 Ca 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2nyx h LEU 54 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2nyx h LEU 54 CO -0.38 0.91 0.39 -1.28 0.09 0.00 0.00 178.44 178.16 2nyx h SER 55 N 0.58 0.73 0.23 -0.43 0.87 -0.76 0.35 113.55 115.13 2nyx h SER 55 Ca 0.08 -0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.41 2nyx h SER 55 Cb 0.73 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2nyx h SER 55 CO 0.06 0.56 -0.74 0.78 -0.53 0.00 0.00 176.83 176.96 2nyx h ASN 56 N 0.84 0.51 0.00 6.23 2.35 -0.09 -3.36 115.58 122.06 2nyx h ASN 56 Ca 0.22 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2nyx h ASN 56 Cb -0.05 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2nyx h ASN 56 CO -0.04 1.08 -1.05 1.41 -1.65 0.00 0.00 177.43 177.17 2nyx n HIS 57 N -3.84 0.00 -4.13 1.19 8.25 0.52 -5.09 115.22 112.11 2nyx n HIS 57 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2nyx n HIS 57 Cb 0.71 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2nyx n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nyx n GLY 58 N 1.65 -1.75 3.69 -1.41 0.00 0.12 -4.86 105.19 102.64 2nyx n GLY 58 Ca -0.00 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 2nyx n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nyx n PRO 59 N -0.20 2.60 -3.82 1.61 -0.02 -1.26 -4.75 135.00 129.16 2nyx n PRO 59 Ca 0.00 0.94 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 2nyx n PRO 59 Cb 0.00 -2.79 -0.09 0.00 -0.02 0.00 0.00 33.50 30.60 2nyx n PRO 59 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2nyx s ILE 60 N 1.84 0.08 0.85 4.25 -4.36 -1.03 -4.93 121.20 117.91 2nyx s ILE 60 Ca 0.79 -0.70 -0.11 0.00 -0.26 0.00 0.00 60.65 60.38 2nyx s ILE 60 Cb -0.55 -0.68 0.10 0.00 1.25 0.00 0.00 42.46 42.58 2nyx s ILE 60 CO 0.36 -0.38 1.09 0.54 0.24 0.00 0.00 174.94 176.79 2nyx s ASN 61 N -1.66 3.84 0.30 4.36 2.20 -1.26 -1.24 114.94 121.48 2nyx s ASN 61 Ca -0.10 1.56 0.00 0.00 -0.94 0.00 0.00 52.86 53.38 2nyx s ASN 61 Cb -0.04 -2.25 0.46 0.00 -2.00 0.00 0.00 41.25 37.42 2nyx s ASN 61 CO 0.00 -2.42 1.84 -0.07 -2.94 0.00 0.00 177.10 173.52 2nyx h LEU 62 N -1.39 0.69 -0.33 3.54 -0.00 -1.96 -1.47 115.31 114.40 2nyx h LEU 62 Ca -0.48 -0.12 0.07 0.00 -0.00 0.00 0.00 57.88 57.35 2nyx h LEU 62 Cb 1.27 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 41.68 2nyx h LEU 62 CO 0.54 0.70 -0.13 0.00 -0.00 0.00 0.00 178.44 179.55 2nyx h ALA 63 N 1.39 0.15 -0.00 1.53 0.00 -1.92 0.72 119.26 121.13 2nyx h ALA 63 Ca 0.16 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2nyx h ALA 63 Cb 0.29 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2nyx h ALA 63 CO 0.00 -0.51 -0.00 1.15 0.00 0.00 0.00 179.25 179.89 2nyx h THR 64 N -0.07 1.29 -0.60 0.00 2.02 -1.76 -2.11 112.91 111.69 2nyx h THR 64 Ca 0.16 -0.85 0.11 0.00 0.77 0.00 0.00 66.41 66.61 2nyx h THR 64 Cb 0.32 1.86 -0.11 0.00 -1.74 0.00 0.00 68.15 68.47 2nyx h THR 64 CO -0.38 0.22 -0.33 0.25 0.37 0.00 0.00 175.52 175.66 2nyx h LEU 65 N -0.35 -1.14 -0.67 2.58 6.46 -1.20 -1.43 115.31 119.57 2nyx h LEU 65 Ca 0.00 0.23 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 2nyx h LEU 65 Cb 0.36 0.57 -0.07 0.00 -0.73 0.00 0.00 40.66 40.79 2nyx h LEU 65 CO 0.00 -0.30 0.31 0.00 -0.62 0.00 0.00 178.44 177.83 2nyx h ALA 66 N 1.03 0.90 0.00 1.25 0.00 -0.70 0.10 119.26 121.85 2nyx h ALA 66 Ca 0.24 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2nyx h ALA 66 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2nyx h ALA 66 CO -0.68 -0.09 -0.00 1.15 0.00 0.00 0.00 179.25 179.62 2nyx h THR 67 N 0.54 1.01 -0.44 0.00 2.02 -0.62 -0.30 112.91 115.11 2nyx h THR 67 Ca 0.33 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.45 2nyx h THR 67 Cb 0.36 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2nyx h THR 67 CO -0.27 0.01 0.14 -0.07 0.37 0.00 0.00 175.52 175.70 2nyx h LEU 68 N -0.02 0.58 -0.77 2.58 -0.00 -0.93 -2.79 115.31 113.95 2nyx h LEU 68 Ca -0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.88 57.68 2nyx h LEU 68 Cb 0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 2nyx h LEU 68 CO 0.00 0.55 -0.60 -0.07 -0.00 0.00 0.00 178.44 178.32 2nyx h LEU 69 N 0.63 0.00 0.06 1.67 3.38 -0.34 -3.47 115.31 117.23 2nyx h LEU 69 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2nyx h LEU 69 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2nyx h LEU 69 CO -0.01 0.60 -0.01 0.61 0.09 0.00 0.00 178.44 179.72 2nyx n GLY 70 N 0.24 0.35 3.46 0.83 0.00 -0.17 -5.05 105.19 104.85 2nyx n GLY 70 Ca -0.01 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 2nyx n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nyx s VAL 71 N -2.02 2.46 0.39 1.61 1.01 -0.92 -5.06 120.40 117.87 2nyx s VAL 71 Ca 0.00 -2.20 -0.26 0.00 0.00 0.00 0.00 61.98 59.52 2nyx s VAL 71 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 2nyx s VAL 71 CO 0.00 -0.26 1.24 -1.10 0.00 0.00 0.00 175.10 174.99 2nyx s GLN 72 N -3.10 4.06 0.51 2.72 -1.52 -1.26 -4.53 119.66 116.54 2nyx s GLN 72 Ca 0.26 2.03 0.20 0.00 -1.95 0.00 0.00 55.36 55.89 2nyx s GLN 72 Cb -0.07 -2.77 1.28 0.00 -0.22 0.00 0.00 33.01 31.24 2nyx s GLN 72 CO 0.13 -0.37 2.04 -1.35 -0.25 0.00 0.00 175.29 175.48 2nyx h PRO 73 N 2.77 0.08 -0.01 2.91 0.11 -1.93 -2.98 132.00 132.95 2nyx h PRO 73 Ca -0.49 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2nyx h PRO 73 Cb 1.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2nyx h PRO 73 CO 0.63 0.05 0.00 1.03 -0.21 0.00 0.00 178.00 179.50 2nyx h SER 74 N 0.08 0.02 0.76 -2.05 0.87 -1.99 -2.73 113.55 108.51 2nyx h SER 74 Ca 0.17 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2nyx h SER 74 Cb 0.59 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2nyx h SER 74 CO -0.02 0.29 -0.09 0.00 -0.53 0.00 0.00 176.83 176.48 2nyx h ALA 75 N 0.74 1.06 -0.22 6.23 0.00 -1.93 -3.06 119.26 122.08 2nyx h ALA 75 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 2nyx h ALA 75 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2nyx h ALA 75 CO 0.00 0.11 -0.57 1.15 0.00 0.00 0.00 179.25 179.94 2nyx h THR 76 N 0.00 1.29 -0.60 0.00 2.02 -1.38 -3.25 112.91 110.99 2nyx h THR 76 Ca -0.00 -1.78 0.03 0.00 0.77 0.00 0.00 66.41 65.43 2nyx h THR 76 Cb 0.49 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 2nyx h THR 76 CO 0.01 0.57 0.37 1.23 0.37 0.00 0.00 175.52 178.07 2nyx h GLY 77 N 0.52 0.86 -0.54 2.16 0.00 -1.38 0.26 103.07 104.95 2nyx h GLY 77 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2nyx h GLY 77 CO 0.12 0.23 0.00 -2.13 0.00 0.00 0.00 176.54 174.77 2nyx n ARG 78 N -4.74 0.03 0.00 4.80 0.63 -1.22 -1.80 116.66 114.36 2nyx n ARG 78 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2nyx n ARG 78 Cb 0.08 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 31.98 2nyx n ARG 78 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2nyx n VAL 80 N 0.03 0.00 -0.35 5.15 0.31 0.08 -2.08 118.33 121.47 2nyx n VAL 80 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2nyx n VAL 80 Cb 0.00 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.04 2nyx n VAL 80 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2nyx h ASP 81 N 0.00 1.06 -0.15 4.52 3.58 -1.60 0.18 116.42 124.01 2nyx h ASP 81 Ca 0.00 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.43 2nyx h ASP 81 Cb 0.00 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 2nyx h ASP 81 CO 0.00 0.75 0.08 0.03 -2.88 0.00 0.00 179.24 177.22 2nyx h ARG 82 N 1.24 0.16 0.00 0.28 3.08 -1.70 -1.21 114.38 116.23 2nyx h ARG 82 Ca 0.35 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.36 2nyx h ARG 82 Cb -0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2nyx h ARG 82 CO -0.09 0.11 -0.17 -0.07 -1.07 0.00 0.00 179.97 178.68 2nyx h LEU 83 N 0.17 0.00 -0.33 3.04 3.38 -1.72 0.18 115.31 120.02 2nyx h LEU 83 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2nyx h LEU 83 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2nyx h LEU 83 CO -0.03 0.17 -0.14 0.58 0.09 0.00 0.00 178.44 179.11 2nyx h VAL 84 N 0.00 1.29 -0.26 1.22 2.07 -0.28 0.20 116.25 120.49 2nyx h VAL 84 Ca -0.00 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 2nyx h VAL 84 Cb 0.54 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2nyx h VAL 84 CO 0.02 0.40 -0.16 1.23 0.02 0.00 0.00 177.57 179.09 2nyx h GLY 85 N 0.45 0.47 0.80 2.17 0.00 -0.28 -0.31 103.07 106.37 2nyx h GLY 85 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2nyx h GLY 85 CO 0.04 0.31 0.00 0.00 0.00 0.00 0.00 176.54 176.90 2nyx n ALA 86 N -2.48 2.60 -3.36 3.60 0.00 -0.04 -4.91 120.51 115.92 2nyx n ALA 86 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.05 2nyx n ALA 86 Cb 0.33 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.44 2nyx n ALA 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2nyx n GLU 87 N -0.90 -6.11 -0.03 0.00 1.02 -0.13 -4.88 120.64 109.62 2nyx n GLU 87 Ca 0.18 0.82 0.05 0.00 -0.02 0.00 0.00 57.16 58.20 2nyx n GLU 87 Cb 0.08 -5.76 -0.14 0.00 -0.02 0.00 0.00 31.44 25.60 2nyx n GLU 87 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nyx n LEU 88 N -4.47 0.00 -4.13 -4.62 4.77 0.66 -4.42 117.00 104.78 2nyx n LEU 88 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 2nyx n LEU 88 Cb 0.58 0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.63 2nyx n LEU 88 CO 0.57 0.10 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.63 2nyx s ILE 89 N -3.11 1.15 0.17 -0.08 1.01 -1.06 -1.30 121.20 117.98 2nyx s ILE 89 Ca -0.07 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.85 2nyx s ILE 89 Cb 0.11 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2nyx s ILE 89 CO 0.77 0.19 0.05 -1.81 0.00 0.00 0.00 174.94 174.14 2nyx s ASP 90 N -0.69 5.06 -0.09 3.58 1.01 0.78 -4.28 116.67 122.04 2nyx s ASP 90 Ca 0.04 -0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.01 2nyx s ASP 90 Cb -0.07 -1.18 -0.03 0.00 1.01 0.00 0.00 42.92 42.66 2nyx s ASP 90 CO 0.00 0.09 -0.07 -0.13 0.21 0.00 0.00 175.17 175.26 2nyx s ARG 91 N -2.98 2.94 0.07 8.23 0.52 -1.26 -1.70 118.95 124.78 2nyx s ARG 91 Ca 0.29 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 2nyx s ARG 91 Cb -0.10 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2nyx s ARG 91 CO 0.20 0.55 -0.16 -0.51 0.02 0.00 0.00 175.30 175.40 2nyx s LEU 92 N -0.51 2.24 0.53 2.53 1.43 0.78 -4.94 118.68 120.74 2nyx s LEU 92 Ca 0.07 -0.58 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 2nyx s LEU 92 Cb -0.12 -0.67 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 2nyx s LEU 92 CO 0.02 0.01 1.15 -2.16 0.23 0.00 0.00 176.35 175.59 2nyx s PRO 93 N -1.56 3.42 0.53 1.29 0.04 -1.26 -0.71 135.00 136.74 2nyx s PRO 93 Ca 0.02 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.54 2nyx s PRO 93 Cb -0.09 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2nyx s PRO 93 CO 0.02 -0.81 1.10 -1.58 0.04 0.00 0.00 177.00 175.78 2nyx s HIS 94 N -1.70 2.76 -1.17 0.56 2.46 -1.18 -4.69 115.29 112.34 2nyx s HIS 94 Ca 0.71 1.55 -0.10 0.00 0.47 0.00 0.00 55.06 57.69 2nyx s HIS 94 Cb -0.26 -3.22 0.23 0.00 -0.13 0.00 0.00 32.58 29.20 2nyx s HIS 94 CO 0.29 -1.36 1.38 -0.35 -2.47 0.00 0.00 174.74 172.24 2nyx n PRO 95 N -1.21 3.65 -3.80 2.88 -0.04 -1.26 -3.52 135.00 131.69 2nyx n PRO 95 Ca 0.11 -4.15 -0.28 0.00 -0.04 0.00 0.00 63.50 59.14 2nyx n PRO 95 Cb 0.51 -2.76 -0.16 0.00 -0.04 0.00 0.00 33.50 31.05 2nyx n PRO 95 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2nyx s THR 96 N -0.36 0.83 0.00 0.52 -4.23 -1.26 -5.19 115.64 105.95 2nyx s THR 96 Ca 0.36 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2nyx s THR 96 Cb -0.03 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.56 2nyx s THR 96 CO -0.01 -0.15 0.00 -0.24 -0.54 0.00 0.00 174.62 173.68 2nyx n SER 97 N 4.94 0.00 0.14 3.99 2.88 -1.23 -5.09 113.62 119.25 2nyx n SER 97 Ca -0.10 -0.41 -0.08 0.00 -1.33 0.00 0.00 58.87 56.94 2nyx n SER 97 Cb 0.46 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 2nyx n SER 97 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2nyx h ARG 98 N 0.00 -0.43 -4.62 -1.46 3.08 -2.03 -3.43 114.38 105.49 2nyx h ARG 98 Ca 0.00 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2nyx h ARG 98 Cb 0.00 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.03 2nyx h ARG 98 CO 0.00 -0.21 -1.32 -2.13 -1.07 0.00 0.00 179.97 175.24 2nyx n ARG 99 N -5.07 -3.79 0.00 0.04 0.63 -1.26 -4.97 116.66 102.24 2nyx n ARG 99 Ca -0.07 2.94 0.00 0.00 -0.92 0.00 0.00 57.85 59.80 2nyx n ARG 99 Cb 0.21 -4.34 0.00 0.00 0.45 0.00 0.00 32.46 28.78 2nyx n ARG 99 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2nyx n GLU 100 N 1.40 2.22 0.00 -0.14 4.71 -1.26 -5.04 120.64 122.52 2nyx n GLU 100 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.80 2nyx n GLU 100 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 2nyx n GLU 100 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2nyx n LEU 101 N 0.00 0.00 -4.24 -4.62 0.00 -1.22 -3.13 117.00 103.78 2nyx n LEU 101 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.76 2nyx n LEU 101 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.28 2nyx n LEU 101 CO 0.00 0.00 -0.51 -0.76 0.00 0.00 0.00 177.39 176.12 2nyx s LEU 102 N 0.00 2.19 -0.09 -1.96 1.02 0.11 -3.89 118.68 116.06 2nyx s LEU 102 Ca 0.00 -0.54 -0.02 0.00 0.02 0.00 0.00 54.13 53.59 2nyx s LEU 102 Cb 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.26 2nyx s LEU 102 CO 0.00 0.13 -0.00 0.00 0.02 0.00 0.00 176.35 176.50 2nyx s ALA 103 N -0.87 3.27 0.04 4.21 0.00 -0.38 -0.15 121.76 127.88 2nyx s ALA 103 Ca 0.07 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.13 2nyx s ALA 103 Cb -0.09 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2nyx s ALA 103 CO 0.02 0.56 0.19 0.00 0.00 0.00 0.00 175.76 176.53 2nyx s ALA 104 N -0.78 -0.35 0.31 0.00 0.00 -0.69 -2.46 121.76 117.79 2nyx s ALA 104 Ca 0.12 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 2nyx s ALA 104 Cb -0.11 0.28 -0.10 0.00 0.00 0.00 0.00 23.12 23.18 2nyx s ALA 104 CO 0.02 -0.36 1.18 -0.51 0.00 0.00 0.00 175.76 176.09 2nyx s LEU 105 N -2.08 4.48 1.03 0.00 1.43 -1.26 -0.16 118.68 122.13 2nyx s LEU 105 Ca -0.05 2.43 -0.13 0.00 -1.03 0.00 0.00 54.13 55.35 2nyx s LEU 105 Cb -0.01 -3.66 0.21 0.00 0.03 0.00 0.00 46.19 42.76 2nyx s LEU 105 CO -0.04 -0.32 1.08 -0.89 0.23 0.00 0.00 176.35 176.42 2nyx s THR 106 N -1.17 2.02 0.29 5.49 2.01 -0.42 -4.71 115.64 119.15 2nyx s THR 106 Ca 0.47 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.49 2nyx s THR 106 Cb -0.35 -2.44 0.29 0.00 0.01 0.00 0.00 72.50 70.01 2nyx s THR 106 CO 0.45 -0.01 1.85 0.50 -0.69 0.00 0.00 174.62 176.72 2nyx h LYS 107 N -2.04 0.97 0.27 4.92 3.64 -1.90 -1.03 116.57 121.41 2nyx h LYS 107 Ca -0.56 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2nyx h LYS 107 Cb 1.33 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2nyx h LYS 107 CO 0.57 0.64 -0.13 0.00 -2.27 0.00 0.00 179.45 178.26 2nyx h ARG 108 N 1.00 -0.35 -0.82 1.90 2.47 -1.89 -0.60 114.38 116.08 2nyx h ARG 108 Ca 0.47 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 59.38 2nyx h ARG 108 Cb 0.44 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 28.74 2nyx h ARG 108 CO -0.24 -0.19 0.37 0.78 0.56 0.00 0.00 179.97 181.25 2nyx h GLY 109 N -0.42 1.32 0.97 0.04 0.00 -1.50 -0.30 103.07 103.18 2nyx h GLY 109 Ca -0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 2nyx h GLY 109 CO 0.06 -0.12 0.11 3.21 0.00 0.00 0.00 176.54 179.80 2nyx h ARG 110 N 0.49 0.78 -0.82 4.80 3.08 -0.94 -2.68 114.38 119.09 2nyx h ARG 110 Ca 0.47 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 2nyx h ARG 110 Cb 0.75 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2nyx h ARG 110 CO -0.43 0.76 0.50 -0.44 -1.07 0.00 0.00 179.97 179.29 2nyx h ASP 111 N 0.66 0.98 0.12 7.04 3.32 -0.17 -1.90 116.42 126.47 2nyx h ASP 111 Ca 0.15 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2nyx h ASP 111 Cb 0.33 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2nyx h ASP 111 CO 0.00 0.75 -0.31 0.58 -1.72 0.00 0.00 179.24 178.55 2nyx h VAL 112 N 1.12 0.33 -0.52 -1.35 2.07 -0.94 -0.26 116.25 116.71 2nyx h VAL 112 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 2nyx h VAL 112 Cb -0.05 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 2nyx h VAL 112 CO -0.06 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.43 2nyx h VAL 113 N -0.53 1.15 -0.16 2.57 2.07 -1.26 -2.03 116.25 118.06 2nyx h VAL 113 Ca 0.03 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 2nyx h VAL 113 Cb 0.56 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2nyx h VAL 113 CO -0.18 0.16 -0.56 0.03 0.02 0.00 0.00 177.57 177.03 2nyx h ARG 114 N 0.70 0.48 -0.57 1.57 2.47 -1.28 -2.08 114.38 115.68 2nyx h ARG 114 Ca 0.19 -0.31 -0.10 0.00 -1.26 0.00 0.00 59.98 58.50 2nyx h ARG 114 Cb -0.02 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2nyx h ARG 114 CO -0.04 0.91 -0.03 1.96 0.56 0.00 0.00 179.97 183.34 2nyx h GLN 115 N 0.37 1.01 -0.43 0.04 4.20 -0.89 -0.87 115.11 118.53 2nyx h GLN 115 Ca 0.00 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.30 2nyx h GLN 115 Cb 1.09 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2nyx h GLN 115 CO 0.10 1.01 -0.06 0.28 -0.67 0.00 0.00 178.83 179.49 2nyx h VAL 116 N 0.92 1.27 -0.30 -0.54 2.07 -1.29 -1.60 116.25 116.78 2nyx h VAL 116 Ca 0.16 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2nyx h VAL 116 Cb 0.57 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2nyx h VAL 116 CO 0.03 0.39 0.19 0.74 0.02 0.00 0.00 177.57 178.94 2nyx h THR 117 N 0.63 1.09 -0.55 2.57 2.02 -1.30 -0.90 112.91 116.47 2nyx h THR 117 Ca 0.11 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 2nyx h THR 117 Cb 0.58 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 2nyx h THR 117 CO 0.03 0.08 0.17 -0.08 0.37 0.00 0.00 175.52 176.10 2nyx h GLU 118 N 0.39 0.82 -0.03 6.66 4.57 -0.99 0.93 114.58 126.93 2nyx h GLU 118 Ca 0.11 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2nyx h GLU 118 Cb -0.02 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.43 2nyx h GLU 118 CO -0.02 0.71 0.01 0.45 -1.18 0.00 0.00 179.01 178.98 2nyx h HIS 119 N 0.80 0.05 -0.14 0.92 3.86 -1.19 -2.37 115.15 117.09 2nyx h HIS 119 Ca 0.18 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.43 2nyx h HIS 119 Cb 0.24 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 2nyx h HIS 119 CO 0.01 0.20 -0.11 0.00 0.86 0.00 0.00 177.93 178.89 2nyx h ARG 120 N -0.12 -0.12 0.00 2.45 3.08 -0.58 -1.55 114.38 117.54 2nyx h ARG 120 Ca 0.01 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2nyx h ARG 120 Cb 0.17 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2nyx h ARG 120 CO -0.00 -0.08 -0.34 0.07 -1.07 0.00 0.00 179.97 178.55 2nyx h ARG 121 N -0.12 0.00 -0.36 0.04 0.11 -0.88 0.55 114.38 113.72 2nyx h ARG 121 Ca 0.09 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.01 2nyx h ARG 121 Cb 0.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 2nyx h ARG 121 CO -0.21 0.34 -0.39 1.15 0.10 0.00 0.00 179.97 180.95 2nyx h THR 122 N 0.00 1.28 -0.20 0.08 2.02 -1.07 -0.89 112.91 114.14 2nyx h THR 122 Ca -0.00 -1.57 -0.11 0.00 0.77 0.00 0.00 66.41 65.50 2nyx h THR 122 Cb 0.65 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2nyx h THR 122 CO 0.04 0.52 -0.30 -0.08 0.37 0.00 0.00 175.52 176.07 2nyx h GLU 123 N 0.70 0.56 -0.21 6.66 4.57 -0.98 -1.76 114.58 124.11 2nyx h GLU 123 Ca 0.05 -0.33 0.01 0.00 -1.18 0.00 0.00 59.36 57.91 2nyx h GLU 123 Cb 0.99 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.59 2nyx h GLU 123 CO 0.10 0.94 0.11 0.82 -1.18 0.00 0.00 179.01 179.79 2nyx h ILE 124 N 0.22 1.00 -0.83 2.32 2.04 -0.92 -2.45 117.51 118.90 2nyx h ILE 124 Ca 0.02 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2nyx h ILE 124 Cb 0.88 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 2nyx h ILE 124 CO 0.07 0.04 0.49 0.00 0.00 0.00 0.00 178.15 178.75 2nyx h ALA 125 N 1.10 1.15 -0.35 1.87 0.00 -1.11 0.15 119.26 122.07 2nyx h ALA 125 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2nyx h ALA 125 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2nyx h ALA 125 CO -0.05 0.18 0.20 -0.09 0.00 0.00 0.00 179.25 179.48 2nyx h ARG 126 N 0.87 0.39 -0.41 0.00 2.43 -1.06 -0.68 114.38 115.92 2nyx h ARG 126 Ca 0.38 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2nyx h ARG 126 Cb 0.25 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2nyx h ARG 126 CO -0.20 0.26 0.08 0.82 -1.51 0.00 0.00 179.97 179.42 2nyx h ILE 127 N 0.40 1.24 -0.34 1.20 2.04 -0.92 -3.12 117.51 118.01 2nyx h ILE 127 Ca 0.14 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2nyx h ILE 127 Cb 0.02 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2nyx h ILE 127 CO -0.08 0.29 0.02 0.58 0.00 0.00 0.00 178.15 178.97 2nyx h VAL 128 N 0.53 1.19 -0.10 1.67 2.07 -0.38 -1.61 116.25 119.63 2nyx h VAL 128 Ca 0.13 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2nyx h VAL 128 Cb 0.35 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2nyx h VAL 128 CO 0.01 0.25 0.08 -0.33 0.02 0.00 0.00 177.57 177.60 2nyx h GLU 129 N 0.50 0.00 -2.00 1.57 5.08 -1.06 -3.44 114.58 115.24 2nyx h GLU 129 Ca 0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2nyx h GLU 129 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2nyx h GLU 129 CO 0.01 0.00 -0.15 1.04 -1.00 0.00 0.00 179.01 178.91 2nyx n GLN 130 N -4.19 1.41 -4.45 2.33 1.13 -0.61 -5.06 117.38 107.94 2nyx n GLN 130 Ca -0.01 -0.43 -0.34 0.00 -1.94 0.00 0.00 57.00 54.28 2nyx n GLN 130 Cb 0.19 -1.41 -0.10 0.00 0.11 0.00 0.00 30.24 29.03 2nyx n GLN 130 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2nyx s ALA 132 N 0.37 3.15 0.37 -1.58 0.00 -1.26 -5.15 121.76 117.66 2nyx s ALA 132 Ca 0.27 -0.83 0.20 0.00 0.00 0.00 0.00 51.96 51.60 2nyx s ALA 132 Cb 0.13 -1.42 1.26 0.00 0.00 0.00 0.00 23.12 23.09 2nyx s ALA 132 CO -0.00 0.52 1.62 -1.35 0.00 0.00 0.00 175.76 176.55 2nyx h PRO 133 N 5.45 0.14 -0.07 0.00 0.11 -1.97 0.18 132.00 135.84 2nyx h PRO 133 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2nyx h PRO 133 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2nyx h PRO 133 CO 0.55 0.09 -0.45 0.00 -0.21 0.00 0.00 178.00 177.99 2nyx h ALA 134 N 1.87 1.12 -0.09 -0.75 0.00 -2.02 -2.56 119.26 116.83 2nyx h ALA 134 Ca 0.80 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 2nyx h ALA 134 Cb 2.07 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.79 2nyx h ALA 134 CO -0.65 0.60 -0.73 0.93 0.00 0.00 0.00 179.25 179.41 2nyx h GLU 135 N 0.14 0.66 -0.22 0.00 5.08 -1.10 -2.15 114.58 116.99 2nyx h GLU 135 Ca 0.01 -0.59 0.05 0.00 -1.00 0.00 0.00 59.36 57.84 2nyx h GLU 135 Cb 0.85 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 2nyx h GLU 135 CO 0.07 1.20 -0.14 0.00 -1.00 0.00 0.00 179.01 179.14 2nyx h ARG 136 N 0.33 -0.12 -0.58 2.33 3.08 -1.25 -0.17 114.38 118.00 2nyx h ARG 136 Ca -0.06 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2nyx h ARG 136 Cb 1.38 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 2nyx h ARG 136 CO 0.15 -0.08 0.27 1.25 -1.07 0.00 0.00 179.97 180.49 2nyx h HIS 137 N -0.13 0.83 -0.15 3.04 2.76 -1.49 -2.03 115.15 117.99 2nyx h HIS 137 Ca 0.13 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2nyx h HIS 137 Cb 0.32 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 2nyx h HIS 137 CO -0.30 0.64 0.09 0.78 -1.30 0.00 0.00 177.93 177.84 2nyx h GLY 138 N 0.78 0.21 0.78 5.26 0.00 -0.99 -1.77 103.07 107.34 2nyx h GLY 138 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 2nyx h GLY 138 CO -0.02 0.08 -0.34 -2.00 0.00 0.00 0.00 176.54 174.25 2nyx h LEU 139 N 0.20 0.49 -0.36 3.11 7.12 -0.34 -0.52 115.31 125.02 2nyx h LEU 139 Ca 0.05 -0.60 0.06 0.00 0.13 0.00 0.00 57.88 57.52 2nyx h LEU 139 Cb -0.01 -0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 39.92 2nyx h LEU 139 CO -0.01 1.01 0.01 0.58 -0.13 0.00 0.00 178.44 179.90 2nyx h VAL 140 N 0.00 0.74 -0.32 1.05 2.07 -1.21 -1.69 116.25 116.89 2nyx h VAL 140 Ca -0.01 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2nyx h VAL 140 Cb 0.96 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2nyx h VAL 140 CO 0.07 0.02 0.10 -0.09 0.02 0.00 0.00 177.57 177.69 2nyx h ARG 141 N 0.11 0.22 -0.37 1.57 2.43 -1.24 -1.06 114.38 116.04 2nyx h ARG 141 Ca 0.18 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2nyx h ARG 141 Cb 0.24 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2nyx h ARG 141 CO -0.29 0.15 0.15 0.00 -1.51 0.00 0.00 179.97 178.47 2nyx h ALA 142 N 1.21 0.47 0.00 2.80 0.00 -0.74 -0.81 119.26 122.20 2nyx h ALA 142 Ca 0.15 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2nyx h ALA 142 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2nyx h ALA 142 CO -0.16 0.07 -0.59 -0.07 0.00 0.00 0.00 179.25 178.50 2nyx h LEU 143 N 0.45 0.00 -0.32 0.00 3.38 -1.25 -2.40 115.31 115.17 2nyx h LEU 143 Ca 0.12 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 2nyx h LEU 143 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2nyx h LEU 143 CO -0.01 0.59 -0.54 0.74 0.09 0.00 0.00 178.44 179.31 2nyx h THR 144 N 0.00 1.28 -0.59 0.22 2.02 -1.02 -2.19 112.91 112.62 2nyx h THR 144 Ca -0.01 -1.73 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 2nyx h THR 144 Cb 1.27 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 2nyx h THR 144 CO 0.08 0.56 0.06 0.00 0.37 0.00 0.00 175.52 176.59 2nyx h ALA 145 N 0.71 0.79 -0.53 6.16 0.00 -1.08 -0.47 119.26 124.85 2nyx h ALA 145 Ca 0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2nyx h ALA 145 Cb 1.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2nyx h ALA 145 CO 0.12 0.57 0.14 0.35 0.00 0.00 0.00 179.25 180.44 2nyx h PHE 146 N 0.90 0.87 -0.27 0.00 3.04 -1.44 -0.69 116.94 119.36 2nyx h PHE 146 Ca 0.17 -0.10 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 2nyx h PHE 146 Cb 0.47 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 2nyx h PHE 146 CO 0.03 0.75 -0.06 1.15 -2.02 0.00 0.00 178.31 178.17 2nyx h THR 147 N 0.73 1.19 -0.17 4.41 2.02 -1.20 -2.97 112.91 116.92 2nyx h THR 147 Ca 0.17 -0.81 -0.09 0.00 0.77 0.00 0.00 66.41 66.45 2nyx h THR 147 Cb 0.31 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2nyx h THR 147 CO -0.00 0.27 -0.23 -0.08 0.37 0.00 0.00 175.52 175.85 2nyx h GLU 148 N 0.40 0.46 0.00 6.66 4.57 -0.71 -3.37 114.58 122.59 2nyx h GLU 148 Ca 0.08 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 2nyx h GLU 148 Cb 0.37 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2nyx h GLU 148 CO 0.02 0.85 0.00 0.00 -1.18 0.00 0.00 179.01 178.70 2nyx n ALA 149 N -2.46 -0.36 -2.19 2.92 0.00 -0.30 -4.69 120.51 113.43 2nyx n ALA 149 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 2nyx n ALA 149 Cb 0.42 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 2nyx n ALA 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2nyx s GLY 150 N -0.85 2.11 0.15 0.00 0.00 -1.20 -4.20 107.32 103.32 2nyx s GLY 150 Ca 0.00 -1.82 -0.16 0.00 0.00 0.00 0.00 44.72 42.74 2nyx s GLY 150 CO 0.00 -1.69 1.79 -1.33 0.00 0.00 0.00 173.10 171.88 2nyx h GLY 151 N 0.89 0.59 -0.17 0.20 0.00 -1.84 -3.38 103.07 99.36 2nyx h GLY 151 Ca -0.40 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2nyx h GLY 151 CO 0.54 0.23 0.00 -1.84 0.00 0.00 0.00 176.54 175.47