#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 s SER 2 N 0.00 5.57 0.45 1.61 0.01 -1.26 -5.04 113.70 115.05 1x57 s SER 2 Ca 0.00 -0.28 0.22 0.00 1.31 0.00 0.00 55.95 57.19 1x57 s SER 2 Cb 0.00 -1.31 1.09 0.00 0.21 0.00 0.00 66.02 66.00 1x57 s SER 2 CO 0.00 -0.16 1.93 -1.28 0.41 0.00 0.00 173.24 174.14 1x57 h SER 3 N 1.35 0.00 -4.14 2.44 0.87 -2.06 -3.49 113.55 108.51 1x57 h SER 3 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1x57 h SER 3 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x57 h SER 3 CO 0.60 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.73 1x57 n GLY 4 N -0.41 -1.42 3.55 5.77 0.00 -1.26 -4.78 105.19 106.64 1x57 n GLY 4 Ca -0.01 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1x57 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x57 s SER 5 N -3.95 6.12 -0.59 1.61 0.15 -1.26 -4.89 113.70 110.90 1x57 s SER 5 Ca 0.00 -0.70 0.06 0.00 0.70 0.00 0.00 55.95 56.01 1x57 s SER 5 Cb 0.00 -2.56 0.23 0.00 -1.71 0.00 0.00 66.02 61.98 1x57 s SER 5 CO 0.00 -1.84 0.62 -1.20 1.20 0.00 0.00 173.24 172.02 1x57 n SER 6 N 9.82 2.67 -0.43 5.45 7.64 -1.26 -5.06 113.62 132.44 1x57 n SER 6 Ca 0.16 -3.19 0.04 0.00 1.01 0.00 0.00 58.87 56.90 1x57 n SER 6 Cb 0.50 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 1x57 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 7 N 1.33 -2.00 2.03 0.23 0.00 -1.26 -5.00 105.19 100.52 1x57 n GLY 7 Ca 0.26 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1x57 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x57 n ASP 8 N -1.48 -0.57 -1.48 1.61 -0.08 -1.26 -5.14 116.55 108.14 1x57 n ASP 8 Ca 0.00 0.22 0.07 0.00 -1.51 0.00 0.00 54.79 53.58 1x57 n ASP 8 Cb 0.14 0.70 -0.04 0.00 2.34 0.00 0.00 41.12 44.27 1x57 n ASP 8 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1x57 n ARG 9 N -2.83 -3.51 -3.89 -0.67 3.00 -1.26 -4.89 116.66 102.61 1x57 n ARG 9 Ca 0.00 2.79 -0.33 0.00 -0.01 0.00 0.00 57.85 60.30 1x57 n ARG 9 Cb 0.00 -3.74 0.01 0.00 0.00 0.00 0.00 32.46 28.73 1x57 n ARG 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1x57 n VAL 10 N -3.35 -3.30 -1.55 1.55 0.31 -1.26 -4.78 118.33 105.95 1x57 n VAL 10 Ca -0.04 -0.27 -0.39 0.00 -0.01 0.00 0.00 64.34 63.63 1x57 n VAL 10 Cb 0.54 -2.81 -0.04 0.00 -0.91 0.00 0.00 33.84 30.62 1x57 n VAL 10 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x57 n THR 11 N -3.59 0.04 -0.64 2.52 -2.24 -1.26 -4.94 114.28 104.17 1x57 n THR 11 Ca -0.23 -0.62 -0.31 0.00 -2.27 0.00 0.00 64.05 60.62 1x57 n THR 11 Cb 0.64 -2.49 0.19 0.00 -2.10 0.00 0.00 70.33 66.57 1x57 n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1x57 n LEU 12 N 14.12 1.65 -0.17 3.22 4.32 -1.26 -4.44 117.00 134.44 1x57 n LEU 12 Ca 0.38 0.25 -0.02 0.00 -0.02 0.00 0.00 56.01 56.61 1x57 n LEU 12 Cb 0.46 -1.38 0.07 0.00 -1.62 0.00 0.00 43.42 40.94 1x57 n LEU 12 CO 0.72 -2.61 0.84 -0.33 -1.22 0.00 0.00 177.39 174.79 1x57 h GLU 13 N -2.07 0.12 0.89 3.23 3.07 -1.98 0.13 114.58 117.96 1x57 h GLU 13 Ca -0.48 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.33 1x57 h GLU 13 Cb 1.29 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1x57 h GLU 13 CO 0.42 0.08 -0.47 0.28 -1.40 0.00 0.00 179.01 177.92 1x57 h VAL 14 N 0.12 0.04 -0.56 3.13 2.07 -1.91 -0.29 116.25 118.84 1x57 h VAL 14 Ca 0.26 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.85 1x57 h VAL 14 Cb 0.40 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 1x57 h VAL 14 CO -0.43 0.00 0.25 1.23 0.02 0.00 0.00 177.57 178.64 1x57 h GLY 15 N -1.26 0.79 0.68 2.17 0.00 -1.62 0.16 103.07 104.00 1x57 h GLY 15 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1x57 h GLY 15 CO 0.17 0.05 -0.26 1.70 0.00 0.00 0.00 176.54 178.20 1x57 h LYS 16 N 0.46 -0.51 -0.67 4.80 3.64 -0.71 0.12 116.57 123.70 1x57 h LYS 16 Ca 0.27 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1x57 h LYS 16 Cb 0.26 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1x57 h LYS 16 CO -0.23 -0.34 0.32 0.28 -2.27 0.00 0.00 179.45 177.21 1x57 h VAL 17 N -0.53 1.21 0.80 2.00 2.07 -0.52 0.21 116.25 121.49 1x57 h VAL 17 Ca -0.00 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1x57 h VAL 17 Cb 0.50 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1x57 h VAL 17 CO -0.07 0.25 -0.38 0.40 0.02 0.00 0.00 177.57 177.79 1x57 h ILE 18 N 0.94 0.00 -0.64 4.57 2.04 -0.46 0.76 117.51 124.72 1x57 h ILE 18 Ca 0.23 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 66.15 1x57 h ILE 18 Cb 0.09 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.09 1x57 h ILE 18 CO -0.03 0.00 0.23 -0.61 0.00 0.00 0.00 178.15 177.74 1x57 h GLN 19 N -1.12 0.38 0.89 2.37 4.15 -0.70 0.62 115.11 121.70 1x57 h GLN 19 Ca -0.11 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.24 1x57 h GLN 19 Cb 0.82 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.44 1x57 h GLN 19 CO 0.18 0.25 -0.43 1.96 -1.93 0.00 0.00 178.83 178.86 1x57 h GLN 20 N 0.40 -1.15 -0.29 1.69 1.08 -0.97 -1.79 115.11 114.08 1x57 h GLN 20 Ca 0.33 0.08 0.07 0.00 -1.45 0.00 0.00 58.65 57.68 1x57 h GLN 20 Cb 0.44 0.26 -0.07 0.00 -0.05 0.00 0.00 27.48 28.07 1x57 h GLN 20 CO -0.34 -0.77 -0.15 0.78 -0.95 0.00 0.00 178.83 177.39 1x57 h GLY 21 N -1.20 0.07 -0.13 3.46 0.00 -0.27 0.48 103.07 105.48 1x57 h GLY 21 Ca -0.12 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.43 1x57 h GLY 21 CO 0.20 -0.17 -0.45 3.21 0.00 0.00 0.00 176.54 179.33 1x57 h ARG 22 N -0.12 -0.45 -0.50 4.80 3.08 -0.89 -2.11 114.38 118.18 1x57 h ARG 22 Ca 0.15 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.30 1x57 h ARG 22 Cb 0.35 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1x57 h ARG 22 CO -0.36 -0.30 0.34 1.96 -1.07 0.00 0.00 179.97 180.54 1x57 h GLN 23 N -0.47 0.40 0.00 0.04 4.20 -0.80 0.47 115.11 118.94 1x57 h GLN 23 Ca 0.03 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1x57 h GLN 23 Cb 0.55 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1x57 h GLN 23 CO -0.37 0.26 -0.49 1.03 -0.67 0.00 0.00 178.83 178.60 1x57 h SER 24 N 0.41 0.00 -0.16 1.46 0.87 -0.22 -0.20 113.55 115.71 1x57 h SER 24 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1x57 h SER 24 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1x57 h SER 24 CO -0.06 0.49 0.00 0.29 -0.53 0.00 0.00 176.83 177.02 1x57 n LYS 25 N -3.81 2.06 -3.44 2.24 5.02 -1.05 -4.96 118.16 114.21 1x57 n LYS 25 Ca -0.01 -1.57 -0.20 0.00 -2.02 0.00 0.00 58.31 54.51 1x57 n LYS 25 Cb 0.53 -1.46 0.08 0.00 -0.02 0.00 0.00 35.03 34.16 1x57 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 26 N 1.29 -0.39 3.72 0.72 0.00 -0.09 -5.03 105.19 105.42 1x57 n GLY 26 Ca 0.17 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1x57 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 27 N -6.54 3.45 0.40 0.99 1.43 0.09 -4.98 118.68 113.53 1x57 s LEU 27 Ca 0.34 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1x57 s LEU 27 Cb -0.15 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 1x57 s LEU 27 CO 0.67 -0.01 0.10 0.28 0.23 0.00 0.00 176.35 177.62 1x57 s THR 28 N -2.20 2.24 0.22 5.49 -1.32 -1.26 -3.96 115.64 114.84 1x57 s THR 28 Ca 0.32 -1.84 -0.08 0.00 -1.21 0.00 0.00 61.69 58.87 1x57 s THR 28 Cb -0.07 -2.97 0.16 0.00 -1.51 0.00 0.00 72.50 68.11 1x57 s THR 28 CO 0.22 -0.03 1.78 1.56 -2.21 0.00 0.00 174.62 175.94 1x57 h GLN 29 N 1.60 0.58 -0.99 7.08 4.20 -1.99 -0.34 115.11 125.26 1x57 h GLN 29 Ca -0.43 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.33 1x57 h GLN 29 Cb 1.25 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.82 1x57 h GLN 29 CO 0.74 0.39 0.63 0.87 -0.67 0.00 0.00 178.83 180.78 1x57 h LYS 30 N 0.60 1.05 -0.01 1.46 1.79 -1.95 0.25 116.57 119.76 1x57 h LYS 30 Ca 0.33 -0.06 -0.24 0.00 -2.18 0.00 0.00 60.65 58.50 1x57 h LYS 30 Cb 0.31 -0.24 0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1x57 h LYS 30 CO -0.24 0.69 -0.97 -0.44 -1.08 0.00 0.00 179.45 177.41 1x57 h ASP 31 N 1.08 0.67 -0.11 0.86 5.19 -1.58 -1.45 116.42 121.08 1x57 h ASP 31 Ca 0.45 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1x57 h ASP 31 Cb 0.31 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1x57 h ASP 31 CO -0.20 1.33 0.06 0.25 -3.12 0.00 0.00 179.24 177.56 1x57 h LEU 32 N 0.30 0.09 -0.27 1.55 7.12 -0.86 0.48 115.31 123.73 1x57 h LEU 32 Ca -0.09 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.96 1x57 h LEU 32 Cb 1.61 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.67 1x57 h LEU 32 CO 0.18 0.07 -0.01 0.00 -0.13 0.00 0.00 178.44 178.55 1x57 h ALA 33 N 1.05 0.23 -0.55 1.25 0.00 -0.89 -0.91 119.26 119.44 1x57 h ALA 33 Ca 0.04 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1x57 h ALA 33 Cb -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1x57 h ALA 33 CO -0.02 -0.42 0.33 1.15 0.00 0.00 0.00 179.25 180.29 1x57 h THR 34 N 0.07 1.06 0.00 0.00 2.02 -1.06 0.12 112.91 115.12 1x57 h THR 34 Ca 0.13 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1x57 h THR 34 Cb 0.17 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1x57 h THR 34 CO -0.22 0.12 -0.08 0.11 0.37 0.00 0.00 175.52 175.82 1x57 h LYS 35 N 0.66 0.00 -0.29 6.66 1.57 0.26 -2.25 116.57 123.18 1x57 h LYS 35 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1x57 h LYS 35 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1x57 h LYS 35 CO -0.10 0.08 0.00 0.44 -0.57 0.00 0.00 179.45 179.30 1x57 n ILE 36 N -4.05 0.62 -3.68 1.86 -5.35 -0.46 -4.89 119.36 103.41 1x57 n ILE 36 Ca -0.03 -0.81 -0.29 0.00 -0.27 0.00 0.00 62.75 61.35 1x57 n ILE 36 Cb 0.17 0.81 0.03 0.00 -1.74 0.00 0.00 39.64 38.90 1x57 n ILE 36 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x57 n ASN 37 N 0.82 -5.40 -3.79 7.28 5.15 0.06 -5.04 115.26 114.34 1x57 n ASN 37 Ca 0.13 -0.95 -0.25 0.00 -0.60 0.00 0.00 54.58 52.91 1x57 n ASN 37 Cb 0.43 -3.16 -0.08 0.00 -0.53 0.00 0.00 39.78 36.45 1x57 n ASN 37 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1x57 s GLU 38 N -5.72 1.94 0.36 1.20 0.41 0.20 -5.01 118.70 112.07 1x57 s GLU 38 Ca 0.38 -2.18 -0.11 0.00 -0.41 0.00 0.00 54.97 52.65 1x57 s GLU 38 Cb -0.14 -0.28 -0.07 0.00 -1.78 0.00 0.00 34.13 31.86 1x57 s GLU 38 CO 0.87 -0.58 0.72 0.15 -0.49 0.00 0.00 175.26 175.93 1x57 s LYS 39 N -3.57 3.82 0.44 1.61 -0.14 -1.26 -4.28 119.74 116.36 1x57 s LYS 39 Ca 0.28 0.46 0.21 0.00 -1.36 0.00 0.00 55.97 55.55 1x57 s LYS 39 Cb 0.01 -2.44 1.02 0.00 -1.68 0.00 0.00 37.83 34.74 1x57 s LYS 39 CO 0.19 0.06 1.91 -1.00 -0.76 0.00 0.00 175.35 175.75 1x57 h PRO 40 N 1.63 0.00 0.00 -1.68 0.13 -1.90 -2.92 132.00 127.27 1x57 h PRO 40 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1x57 h PRO 40 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x57 h PRO 40 CO 0.65 0.26 -0.02 0.37 -0.23 0.00 0.00 178.00 179.02 1x57 h GLN 41 N 0.00 0.00 0.13 0.86 5.75 -1.94 -0.65 115.11 119.26 1x57 h GLN 41 Ca -0.00 0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 58.22 1x57 h GLN 41 Cb 0.58 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.14 1x57 h GLN 41 CO 0.03 0.02 -1.24 -0.39 -2.65 0.00 0.00 178.83 174.61 1x57 h VAL 42 N 0.00 1.48 -0.51 2.39 -1.51 -1.93 -3.24 116.25 112.94 1x57 h VAL 42 Ca -0.00 -3.00 -0.00 0.00 -1.23 0.00 0.00 66.70 62.47 1x57 h VAL 42 Cb 0.04 2.92 -0.02 0.00 -2.13 0.00 0.00 31.29 32.10 1x57 h VAL 42 CO 0.00 0.88 0.31 0.40 -1.23 0.00 0.00 177.57 177.93 1x57 h ILE 43 N 0.09 1.15 -0.27 7.19 1.08 -1.21 0.20 117.51 125.74 1x57 h ILE 43 Ca -0.14 -0.33 0.07 0.00 -0.39 0.00 0.00 64.86 64.07 1x57 h ILE 43 Cb 1.96 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 1x57 h ILE 43 CO 0.21 0.15 0.19 0.00 -0.69 0.00 0.00 178.15 178.01 1x57 h ALA 44 N 1.15 2.20 0.00 1.87 0.00 -1.36 -0.60 119.26 122.52 1x57 h ALA 44 Ca 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 1x57 h ALA 44 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1x57 h ALA 44 CO -0.04 -0.27 -1.26 -0.44 0.00 0.00 0.00 179.25 177.24 1x57 h ASP 45 N 0.04 0.00 -0.46 0.00 5.19 -1.26 -2.33 116.42 117.60 1x57 h ASP 45 Ca 0.13 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1x57 h ASP 45 Cb 0.45 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1x57 h ASP 45 CO -0.01 0.49 0.20 1.88 -3.12 0.00 0.00 179.24 178.69 1x57 h TYR 46 N 0.00 0.69 -0.65 4.55 0.05 0.15 0.18 116.97 121.94 1x57 h TYR 46 Ca -0.13 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.62 1x57 h TYR 46 Cb 1.49 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.98 1x57 h TYR 46 CO 0.00 0.58 0.43 0.93 -1.05 0.00 0.00 178.16 179.05 1x57 h GLU 47 N 0.61 0.85 -0.45 4.88 5.08 -1.19 -2.92 114.58 121.44 1x57 h GLU 47 Ca 0.16 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1x57 h GLU 47 Cb 0.16 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1x57 h GLU 47 CO -0.02 0.56 -0.09 0.77 -1.00 0.00 0.00 179.01 179.24 1x57 h SER 48 N 0.88 0.79 0.00 1.42 0.02 -1.11 -3.39 113.55 112.16 1x57 h SER 48 Ca 0.24 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x57 h SER 48 Cb -0.10 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.23 1x57 h SER 48 CO -0.05 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 1x57 n GLY 49 N -0.46 1.68 0.04 -3.77 0.00 0.09 -4.90 105.19 97.87 1x57 n GLY 49 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1x57 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 n ARG 50 N -1.07 2.35 -1.13 1.61 5.12 0.40 -5.00 116.66 118.94 1x57 n ARG 50 Ca 0.00 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.61 1x57 n ARG 50 Cb 0.08 -1.23 0.24 0.00 -1.16 0.00 0.00 32.46 30.39 1x57 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x57 s ALA 51 N -2.25 0.69 -0.30 7.54 0.00 -1.09 -4.99 121.76 121.35 1x57 s ALA 51 Ca -0.04 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 1x57 s ALA 51 Cb 0.03 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.31 1x57 s ALA 51 CO 0.37 -3.57 0.06 0.42 0.00 0.00 0.00 175.76 173.05 1x57 s ILE 52 N -3.07 3.74 -0.32 0.00 -1.09 -1.26 -4.94 121.20 114.27 1x57 s ILE 52 Ca 0.71 -0.86 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 1x57 s ILE 52 Cb -0.09 -2.97 0.01 0.00 -1.58 0.00 0.00 42.46 37.83 1x57 s ILE 52 CO 0.56 0.03 1.17 -2.16 -1.23 0.00 0.00 174.94 173.31 1x57 s PRO 53 N 1.45 3.99 0.04 2.79 0.04 -1.26 -5.01 135.00 137.04 1x57 s PRO 53 Ca 0.01 1.12 0.09 0.00 0.04 0.00 0.00 61.00 62.26 1x57 s PRO 53 Cb -0.18 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 1x57 s PRO 53 CO 0.01 -1.01 -0.24 1.21 0.04 0.00 0.00 177.00 177.02 1x57 s ASN 54 N 2.13 3.35 0.26 6.66 2.47 -1.26 -5.00 114.94 123.54 1x57 s ASN 54 Ca 0.50 -0.55 -0.03 0.00 0.42 0.00 0.00 52.86 53.20 1x57 s ASN 54 Cb -0.14 -0.38 0.52 0.00 -1.45 0.00 0.00 41.25 39.81 1x57 s ASN 54 CO 0.19 0.26 1.68 0.78 -3.72 0.00 0.00 177.10 176.29 1x57 h ASN 55 N 4.71 0.01 0.18 -4.21 2.35 -1.98 0.74 115.58 117.38 1x57 h ASN 55 Ca -0.47 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1x57 h ASN 55 Cb 1.15 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1x57 h ASN 55 CO 0.45 -0.06 -0.09 -0.61 -1.65 0.00 0.00 177.43 175.47 1x57 h GLN 56 N 0.26 -0.23 -0.17 0.81 5.75 -1.98 0.19 115.11 119.73 1x57 h GLN 56 Ca 0.45 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.95 1x57 h GLN 56 Cb 0.80 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 1x57 h GLN 56 CO -0.55 -0.00 0.05 0.28 -2.65 0.00 0.00 178.83 175.96 1x57 h VAL 57 N -0.43 1.19 -0.45 2.39 2.07 -1.76 -1.64 116.25 117.61 1x57 h VAL 57 Ca -0.02 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 66.99 1x57 h VAL 57 Cb 0.33 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.26 1x57 h VAL 57 CO 0.04 0.18 -0.42 -0.07 0.02 0.00 0.00 177.57 177.32 1x57 h LEU 58 N 0.09 -1.41 -1.64 2.57 3.38 -0.82 0.14 115.31 117.63 1x57 h LEU 58 Ca 0.05 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1x57 h LEU 58 Cb 0.23 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1x57 h LEU 58 CO -0.00 -0.35 0.33 1.23 0.09 0.00 0.00 178.44 179.73 1x57 h GLY 59 N -0.29 0.55 0.68 0.83 0.00 -0.75 0.38 103.07 104.47 1x57 h GLY 59 Ca 0.15 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1x57 h GLY 59 CO -0.60 0.15 -0.18 0.50 0.00 0.00 0.00 176.54 176.41 1x57 h LYS 60 N 0.46 0.30 -0.53 4.80 1.57 0.08 -3.05 116.57 120.20 1x57 h LYS 60 Ca 0.21 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1x57 h LYS 60 Cb 0.25 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1x57 h LYS 60 CO -0.05 0.77 0.24 0.82 -0.57 0.00 0.00 179.45 180.66 1x57 h ILE 61 N -0.14 1.18 -0.10 1.86 2.04 -0.21 -1.18 117.51 120.96 1x57 h ILE 61 Ca 0.01 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1x57 h ILE 61 Cb 0.75 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1x57 h ILE 61 CO 0.04 0.21 -0.06 -0.33 0.00 0.00 0.00 178.15 178.01 1x57 h GLU 62 N 0.74 -0.06 -0.86 2.37 5.08 -0.92 -0.82 114.58 120.11 1x57 h GLU 62 Ca 0.18 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1x57 h GLU 62 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1x57 h GLU 62 CO -0.02 -0.04 0.57 0.00 -1.00 0.00 0.00 179.01 178.51 1x57 h ARG 63 N -0.06 1.02 -0.15 2.33 3.08 -1.32 0.34 114.38 119.61 1x57 h ARG 63 Ca 0.06 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1x57 h ARG 63 Cb 0.15 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1x57 h ARG 63 CO -0.14 0.68 0.16 0.00 -1.07 0.00 0.00 179.97 179.60 1x57 h ALA 64 N 1.50 1.79 0.00 0.04 0.00 0.07 -2.43 119.26 120.23 1x57 h ALA 64 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1x57 h ALA 64 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1x57 h ALA 64 CO -0.11 -0.24 -0.07 0.44 0.00 0.00 0.00 179.25 179.27 1x57 n ILE 65 N -3.87 0.00 -2.08 0.00 -5.35 -1.02 -4.95 119.36 102.09 1x57 n ILE 65 Ca 0.01 -0.44 -0.11 0.00 -0.27 0.00 0.00 62.75 61.93 1x57 n ILE 65 Cb 0.28 0.96 -0.01 0.00 -1.74 0.00 0.00 39.64 39.13 1x57 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x57 n GLY 66 N 1.06 0.10 3.16 3.28 0.00 0.12 -4.98 105.19 107.92 1x57 n GLY 66 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1x57 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 67 N -3.11 2.12 0.18 0.99 1.43 -1.03 -2.06 118.68 117.19 1x57 s LEU 67 Ca 0.00 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.77 1x57 s LEU 67 Cb 0.00 0.15 -0.08 0.00 0.03 0.00 0.00 46.19 46.29 1x57 s LEU 67 CO 0.00 -0.63 0.69 -0.54 0.23 0.00 0.00 176.35 176.10 1x57 s LYS 68 N -3.96 4.27 0.00 1.70 1.02 0.13 -4.36 119.74 118.54 1x57 s LYS 68 Ca 0.18 0.86 0.01 0.00 0.02 0.00 0.00 55.97 57.05 1x57 s LYS 68 Cb 0.07 -3.00 0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1x57 s LYS 68 CO -0.01 0.47 0.86 1.28 -0.92 0.00 0.00 175.35 177.02 1x57 n LEU 69 N 1.02 1.76 -4.00 3.17 7.99 -1.26 -1.09 117.00 124.58 1x57 n LEU 69 Ca -0.04 -1.65 -0.08 0.00 -0.01 0.00 0.00 56.01 54.22 1x57 n LEU 69 Cb 0.51 -0.02 -0.10 0.00 -0.11 0.00 0.00 43.42 43.70 1x57 n LEU 69 CO 0.43 0.43 -0.29 -0.13 -1.51 0.00 0.00 177.39 176.33 1x57 s ARG 70 N -0.69 0.58 0.14 3.23 0.52 -1.26 -4.89 118.95 116.58 1x57 s ARG 70 Ca 0.02 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 1x57 s ARG 70 Cb 0.01 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1x57 s ARG 70 CO 0.02 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1x57 n GLY 71 N 0.52 -1.99 0.19 -3.53 0.00 -1.26 -4.00 105.19 95.11 1x57 n GLY 71 Ca -0.17 -1.39 0.14 0.00 0.00 0.00 0.00 46.02 44.60 1x57 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x57 h LYS 72 N -0.42 0.00 0.00 1.61 6.56 -2.01 -2.50 116.57 119.81 1x57 h LYS 72 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1x57 h LYS 72 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1x57 h LYS 72 CO 0.01 0.00 0.00 -0.25 -2.06 0.00 0.00 179.45 177.15 1x57 n ASP 73 N -2.47 0.00 -4.66 0.86 9.92 -1.26 -4.89 116.55 114.05 1x57 n ASP 73 Ca 0.00 -0.91 -0.47 0.00 -0.53 0.00 0.00 54.79 52.88 1x57 n ASP 73 Cb 0.15 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.59 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x57 n ILE 74 N -0.53 0.01 0.00 0.53 3.06 -0.94 -0.77 119.36 120.71 1x57 n ILE 74 Ca 0.01 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1x57 n ILE 74 Cb 0.00 -1.42 0.00 0.00 0.54 0.00 0.00 39.64 38.77 1x57 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x57 n GLY 75 N 3.27 2.45 3.76 4.50 0.00 -0.25 -4.85 105.19 114.08 1x57 n GLY 75 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1x57 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 s LYS 76 N -0.50 2.95 0.70 1.61 1.02 0.05 -4.61 119.74 120.96 1x57 s LYS 76 Ca 0.00 1.58 -0.12 0.00 0.02 0.00 0.00 55.97 57.44 1x57 s LYS 76 Cb 0.00 -1.95 0.02 0.00 -0.52 0.00 0.00 37.83 35.37 1x57 s LYS 76 CO 0.00 -1.17 1.08 -1.25 -0.92 0.00 0.00 175.35 173.09 1x57 s PRO 77 N -3.67 2.74 -0.20 -1.68 0.04 -1.26 0.17 135.00 131.13 1x57 s PRO 77 Ca 0.71 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.83 1x57 s PRO 77 Cb -0.24 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1x57 s PRO 77 CO 0.35 -1.27 0.11 0.96 0.04 0.00 0.00 177.00 177.19 1x57 s ILE 78 N -2.74 5.15 -0.69 0.56 -4.36 -0.87 -4.66 121.20 113.58 1x57 s ILE 78 Ca 0.62 0.10 -0.19 0.00 -0.26 0.00 0.00 60.65 60.92 1x57 s ILE 78 Cb -0.17 -3.35 0.03 0.00 1.25 0.00 0.00 42.46 40.22 1x57 s ILE 78 CO 0.49 0.43 0.35 -1.84 0.24 0.00 0.00 174.94 174.62 1x57 n GLU 79 N 3.65 -0.60 -1.78 0.37 0.28 -1.26 -4.80 120.64 116.51 1x57 n GLU 79 Ca -0.16 -0.19 -0.41 0.00 -0.16 0.00 0.00 57.16 56.24 1x57 n GLU 79 Cb 0.52 -1.01 0.01 0.00 1.43 0.00 0.00 31.44 32.38 1x57 n GLU 79 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1x57 s LYS 80 N -6.35 3.97 0.00 3.44 2.20 -1.26 -4.98 119.74 116.76 1x57 s LYS 80 Ca 0.26 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 1x57 s LYS 80 Cb -0.15 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1x57 s LYS 80 CO 0.55 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1x57 n GLY 81 N 0.47 1.76 3.71 5.54 0.00 -1.26 -5.10 105.19 110.31 1x57 n GLY 81 Ca 0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1x57 n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 82 N 2.70 1.52 -0.37 1.61 0.04 -1.26 -4.56 135.00 134.67 1x57 s PRO 82 Ca 0.00 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 1x57 s PRO 82 Cb 0.00 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1x57 s PRO 82 CO 0.00 -2.20 0.38 0.54 0.04 0.00 0.00 177.00 175.76 1x57 n ARG 83 N -3.91 -2.60 -1.62 4.56 5.12 -1.26 -4.97 116.66 111.97 1x57 n ARG 83 Ca 0.10 2.25 -0.41 0.00 -1.93 0.00 0.00 57.85 57.86 1x57 n ARG 83 Cb 0.53 -5.36 0.02 0.00 -1.16 0.00 0.00 32.46 26.49 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x57 n ALA 84 N 0.00 0.27 -3.23 7.54 0.00 -1.26 -5.00 120.51 118.83 1x57 n ALA 84 Ca 0.08 0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.69 1x57 n ALA 84 Cb 0.29 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 1x57 n ALA 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1x57 s LYS 85 N -2.12 0.68 -0.26 0.00 2.36 -1.26 -5.12 119.74 114.02 1x57 s LYS 85 Ca 0.64 -0.14 -0.29 0.00 -2.55 0.00 0.00 55.97 53.64 1x57 s LYS 85 Cb -0.53 -0.06 -0.01 0.00 -1.05 0.00 0.00 37.83 36.18 1x57 s LYS 85 CO 0.56 -1.14 1.46 -1.54 1.55 0.00 0.00 175.35 176.24 1x57 s SER 86 N 2.08 6.52 -0.48 1.43 1.04 -1.26 -4.92 113.70 118.11 1x57 s SER 86 Ca 0.14 1.42 0.06 0.00 0.48 0.00 0.00 55.95 58.06 1x57 s SER 86 Cb -0.08 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.72 1x57 s SER 86 CO -0.13 -1.17 0.76 0.61 0.98 0.00 0.00 173.24 174.29 1x57 n GLY 87 N 4.48 0.36 3.62 7.32 0.00 -1.26 -5.15 105.19 114.57 1x57 n GLY 87 Ca 0.17 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1x57 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 88 N 0.47 -1.39 0.00 1.61 0.04 -1.26 -4.83 135.00 129.63 1x57 s PRO 88 Ca 0.32 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1x57 s PRO 88 Cb 0.14 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 33.09 1x57 s PRO 88 CO -0.17 -3.79 0.00 -1.13 0.04 0.00 0.00 177.00 171.95 1x57 n SER 89 N -4.77 0.00 -0.31 6.66 3.41 -1.26 -4.79 113.62 112.56 1x57 n SER 89 Ca 0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.72 1x57 n SER 89 Cb 0.60 -0.12 0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1x57 n SER 89 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x57 h SER 90 N 0.00 1.06 0.00 4.04 0.02 -1.96 -3.55 113.55 113.16 1x57 h SER 90 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1x57 h SER 90 Cb 0.00 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1x57 h SER 90 CO 0.00 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.18