#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 6.39 0.31 1.61 0.15 -1.26 -4.98 113.70 115.92 1x57 s SER 2 Ca 0.00 2.99 -0.10 0.00 0.70 0.00 0.00 55.95 59.54 1x57 s SER 2 Cb 0.00 -2.66 0.01 0.00 -1.71 0.00 0.00 66.02 61.66 1x57 s SER 2 CO 0.00 -0.85 0.54 -0.94 1.20 0.00 0.00 173.24 173.19 1x57 s SER 3 N -0.02 0.28 0.00 5.45 1.04 -1.26 -4.86 113.70 114.33 1x57 s SER 3 Ca 0.55 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1x57 s SER 3 Cb -0.46 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1x57 s SER 3 CO 0.58 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1x57 n GLY 4 N -0.48 0.60 1.76 7.32 0.00 -1.26 -5.10 105.19 108.03 1x57 n GLY 4 Ca -0.02 -1.69 -0.00 0.00 0.00 0.00 0.00 46.02 44.30 1x57 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x57 n SER 5 N 0.00 -2.99 -4.06 1.61 7.64 -1.26 -5.04 113.62 109.51 1x57 n SER 5 Ca 0.00 0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.58 1x57 n SER 5 Cb 0.00 -1.74 -0.16 0.00 -1.01 0.00 0.00 64.21 61.30 1x57 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x57 s SER 6 N -1.93 3.06 -0.47 6.43 1.04 -1.26 -5.05 113.70 115.52 1x57 s SER 6 Ca 0.01 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.82 1x57 s SER 6 Cb -0.00 -1.33 0.20 0.00 0.10 0.00 0.00 66.02 64.99 1x57 s SER 6 CO 0.13 -0.05 0.84 0.61 0.98 0.00 0.00 173.24 175.75 1x57 n GLY 7 N 4.68 -0.88 2.91 7.32 0.00 -1.26 -5.07 105.19 112.89 1x57 n GLY 7 Ca -0.18 0.69 -0.01 0.00 0.00 0.00 0.00 46.02 46.52 1x57 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x57 n ASP 8 N 2.79 -6.24 -3.54 1.61 9.92 -1.26 -5.09 116.55 114.75 1x57 n ASP 8 Ca 0.16 1.01 -0.16 0.00 -0.53 0.00 0.00 54.79 55.27 1x57 n ASP 8 Cb 0.59 -3.51 -0.07 0.00 -0.64 0.00 0.00 41.12 37.49 1x57 n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x57 s ARG 9 N -1.02 1.67 0.67 -1.24 3.03 -1.26 -5.17 118.95 115.63 1x57 s ARG 9 Ca -0.05 -1.83 -0.11 0.00 2.03 0.00 0.00 55.73 55.77 1x57 s ARG 9 Cb 0.00 0.35 -0.01 0.00 -1.03 0.00 0.00 34.95 34.27 1x57 s ARG 9 CO 0.41 -0.63 1.05 0.08 -1.13 0.00 0.00 175.30 175.08 1x57 s VAL 10 N -3.52 4.21 -0.08 4.99 1.01 -1.26 -5.08 120.40 120.67 1x57 s VAL 10 Ca 0.37 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1x57 s VAL 10 Cb 0.02 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1x57 s VAL 10 CO 0.22 -0.94 -0.03 0.42 0.00 0.00 0.00 175.10 174.77 1x57 s THR 11 N -3.15 0.60 0.99 3.92 -4.23 -1.26 -4.65 115.64 107.87 1x57 s THR 11 Ca 0.57 -0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.92 1x57 s THR 11 Cb -0.12 -0.70 0.18 0.00 1.34 0.00 0.00 72.50 73.20 1x57 s THR 11 CO 0.54 0.29 1.04 0.18 -0.54 0.00 0.00 174.62 176.13 1x57 n LEU 12 N 4.90 1.76 0.06 4.79 4.32 -1.14 -4.65 117.00 127.03 1x57 n LEU 12 Ca -0.11 0.26 0.04 0.00 -0.02 0.00 0.00 56.01 56.17 1x57 n LEU 12 Cb 0.50 -1.39 0.44 0.00 -1.62 0.00 0.00 43.42 41.35 1x57 n LEU 12 CO 0.14 -2.57 1.08 1.05 -1.22 0.00 0.00 177.39 175.87 1x57 h GLU 13 N -2.09 0.41 0.30 3.23 9.09 -1.95 0.52 114.58 124.09 1x57 h GLU 13 Ca -0.48 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 58.89 1x57 h GLU 13 Cb 1.29 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1x57 h GLU 13 CO 0.42 0.33 -0.25 0.28 0.05 0.00 0.00 179.01 179.84 1x57 h VAL 14 N 0.41 0.46 -0.64 -1.06 2.07 -1.91 0.92 116.25 116.51 1x57 h VAL 14 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1x57 h VAL 14 Cb 0.06 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1x57 h VAL 14 CO -0.01 0.00 0.37 1.23 0.02 0.00 0.00 177.57 179.17 1x57 h GLY 15 N -0.57 0.93 0.98 2.17 0.00 -1.20 0.13 103.07 105.51 1x57 h GLY 15 Ca -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1x57 h GLY 15 CO -0.03 0.18 -0.34 1.70 0.00 0.00 0.00 176.54 178.05 1x57 h LYS 16 N 0.69 -0.90 -0.66 4.80 1.63 -0.81 -1.14 116.57 120.18 1x57 h LYS 16 Ca 0.28 0.06 0.03 0.00 -0.85 0.00 0.00 60.65 60.17 1x57 h LYS 16 Cb 0.13 0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 1x57 h LYS 16 CO -0.15 -0.60 0.44 0.28 -3.45 0.00 0.00 179.45 175.96 1x57 h VAL 17 N -0.93 1.09 0.68 2.00 2.07 -0.47 0.14 116.25 120.83 1x57 h VAL 17 Ca -0.09 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1x57 h VAL 17 Cb 0.72 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1x57 h VAL 17 CO 0.14 0.14 -0.47 0.40 0.02 0.00 0.00 177.57 177.81 1x57 h ILE 18 N 0.78 0.07 -0.29 4.57 2.04 -0.57 0.65 117.51 124.76 1x57 h ILE 18 Ca 0.26 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.16 1x57 h ILE 18 Cb 0.08 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1x57 h ILE 18 CO -0.07 0.00 0.08 -0.61 0.00 0.00 0.00 178.15 177.55 1x57 h GLN 19 N -1.09 0.19 -0.30 2.37 4.15 -0.49 0.08 115.11 120.01 1x57 h GLN 19 Ca -0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1x57 h GLN 19 Cb 0.90 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1x57 h GLN 19 CO 0.06 0.13 0.13 1.96 -1.93 0.00 0.00 178.83 179.17 1x57 h GLN 20 N 0.20 0.44 -0.16 1.69 4.20 -0.67 0.39 115.11 121.19 1x57 h GLN 20 Ca 0.13 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 1x57 h GLN 20 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1x57 h GLN 20 CO -0.15 0.44 -0.56 0.78 -0.67 0.00 0.00 178.83 178.66 1x57 h GLY 21 N 0.34 0.56 0.42 3.46 0.00 -0.74 -0.48 103.07 106.63 1x57 h GLY 21 Ca 0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1x57 h GLY 21 CO -0.01 0.59 -0.43 3.21 0.00 0.00 0.00 176.54 179.89 1x57 h ARG 22 N 0.39 -0.82 -0.07 4.80 3.08 -0.80 -3.12 114.38 117.84 1x57 h ARG 22 Ca 0.00 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1x57 h ARG 22 Cb 1.10 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1x57 h ARG 22 CO 0.10 -0.55 -0.08 -0.56 -1.07 0.00 0.00 179.97 177.82 1x57 h GLN 23 N -0.85 0.10 0.00 0.04 -0.00 -0.84 0.23 115.11 113.79 1x57 h GLN 23 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1x57 h GLN 23 Cb 0.74 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.20 1x57 h GLN 23 CO -0.06 0.19 0.00 0.77 -0.00 0.00 0.00 178.83 179.73 1x57 h SER 24 N 0.10 0.00 0.00 0.06 0.02 -1.02 -2.52 113.55 110.19 1x57 h SER 24 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1x57 h SER 24 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1x57 h SER 24 CO 0.01 0.00 -0.01 0.29 -1.14 0.00 0.00 176.83 175.98 1x57 n LYS 25 N -2.59 2.17 -1.24 3.45 5.02 -0.09 -5.00 118.16 119.88 1x57 n LYS 25 Ca -0.01 -1.42 -0.08 0.00 -2.02 0.00 0.00 58.31 54.78 1x57 n LYS 25 Cb 0.13 -0.95 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.50 0.79 3.66 0.72 0.00 -0.57 -4.93 105.19 104.36 1x57 n GLY 26 Ca 0.02 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.87 4.13 1.09 0.99 1.43 -0.27 -4.93 118.68 119.24 1x57 s LEU 27 Ca 0.00 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 1x57 s LEU 27 Cb 0.00 -3.54 0.24 0.00 0.03 0.00 0.00 46.19 42.92 1x57 s LEU 27 CO 0.00 -0.71 1.06 0.42 0.23 0.00 0.00 176.35 177.35 1x57 s THR 28 N 3.31 2.07 0.35 5.49 -4.23 -1.26 -4.43 115.64 116.94 1x57 s THR 28 Ca 0.48 0.02 0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1x57 s THR 28 Cb -0.17 -2.26 0.19 0.00 1.34 0.00 0.00 72.50 71.60 1x57 s THR 28 CO 0.09 -0.03 1.92 1.56 -0.54 0.00 0.00 174.62 177.62 1x57 h GLN 29 N -2.30 0.55 -0.04 3.99 4.20 -1.97 -1.24 115.11 118.30 1x57 h GLN 29 Ca -0.58 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 57.87 1x57 h GLN 29 Cb 1.33 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 1x57 h GLN 29 CO 0.53 0.51 -0.74 0.87 -0.67 0.00 0.00 178.83 179.33 1x57 h LYS 30 N 0.54 0.24 -0.73 1.46 6.56 -1.91 -0.77 116.57 121.95 1x57 h LYS 30 Ca 0.12 -0.20 -0.05 0.00 -1.06 0.00 0.00 60.65 59.46 1x57 h LYS 30 Cb 0.22 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 1x57 h LYS 30 CO -0.00 0.87 0.25 -0.44 -2.06 0.00 0.00 179.45 178.07 1x57 h ASP 31 N 0.16 1.04 0.22 0.86 3.32 -1.77 -1.84 116.42 118.40 1x57 h ASP 31 Ca -0.03 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1x57 h ASP 31 Cb 1.30 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1x57 h ASP 31 CO 0.11 0.95 -0.10 0.25 -1.72 0.00 0.00 179.24 178.74 1x57 h LEU 32 N 1.08 -0.25 -0.81 1.55 7.12 -0.95 -0.88 115.31 122.17 1x57 h LEU 32 Ca 0.24 -0.17 0.14 0.00 0.13 0.00 0.00 57.88 58.23 1x57 h LEU 32 Cb 0.27 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.37 1x57 h LEU 32 CO -0.01 0.03 0.39 0.00 -0.13 0.00 0.00 178.44 178.72 1x57 h ALA 33 N 0.18 1.20 0.24 1.25 0.00 -1.12 -0.27 119.26 120.75 1x57 h ALA 33 Ca -0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x57 h ALA 33 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x57 h ALA 33 CO 0.05 -0.14 -0.12 1.15 0.00 0.00 0.00 179.25 180.19 1x57 h THR 34 N 0.55 0.76 -0.15 0.00 2.02 -1.21 0.42 112.91 115.31 1x57 h THR 34 Ca 0.44 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.65 1x57 h THR 34 Cb 0.65 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1x57 h THR 34 CO -0.38 0.00 0.17 0.11 0.37 0.00 0.00 175.52 175.80 1x57 h LYS 35 N -0.33 0.00 -0.12 6.66 1.57 0.40 -2.17 116.57 122.57 1x57 h LYS 35 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x57 h LYS 35 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1x57 h LYS 35 CO 0.05 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.37 1x57 n ILE 36 N -3.77 0.52 -3.58 1.86 -5.35 -0.70 -4.92 119.36 103.41 1x57 n ILE 36 Ca 0.01 -0.76 -0.22 0.00 -0.27 0.00 0.00 62.75 61.50 1x57 n ILE 36 Cb 0.28 0.82 0.05 0.00 -1.74 0.00 0.00 39.64 39.05 1x57 n ILE 36 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x57 n ASN 37 N 0.29 -3.56 -3.79 7.28 4.13 -0.05 -5.02 115.26 114.55 1x57 n ASN 37 Ca 0.06 -0.84 -0.24 0.00 1.68 0.00 0.00 54.58 55.24 1x57 n ASN 37 Cb 0.28 -4.19 -0.06 0.00 -1.54 0.00 0.00 39.78 34.27 1x57 n ASN 37 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1x57 n GLU 38 N -4.01 0.67 -2.87 3.52 -0.58 -0.13 -5.04 120.64 112.20 1x57 n GLU 38 Ca -0.19 -3.16 -0.33 0.00 -0.42 0.00 0.00 57.16 53.06 1x57 n GLU 38 Cb 0.64 1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 32.99 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x57 s LYS 39 N -3.45 4.21 0.08 3.49 -0.14 -1.26 -4.51 119.74 118.16 1x57 s LYS 39 Ca 0.15 1.05 0.20 0.00 -1.36 0.00 0.00 55.97 56.01 1x57 s LYS 39 Cb 0.01 -2.25 0.83 0.00 -1.68 0.00 0.00 37.83 34.73 1x57 s LYS 39 CO 0.11 0.02 1.63 -0.35 -0.76 0.00 0.00 175.35 175.99 1x57 n PRO 40 N -0.54 0.07 0.42 -1.68 -0.04 -1.26 -3.01 135.00 128.96 1x57 n PRO 40 Ca 0.06 0.25 -0.19 0.00 -0.04 0.00 0.00 63.50 63.58 1x57 n PRO 40 Cb 0.54 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 1x57 n PRO 40 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1x57 h GLN 41 N 0.00 -1.02 -0.25 0.54 5.75 -1.93 -2.79 115.11 115.41 1x57 h GLN 41 Ca 0.00 0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1x57 h GLN 41 Cb 0.36 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 1x57 h GLN 41 CO 0.00 -0.68 -0.05 -0.39 -2.65 0.00 0.00 178.83 175.06 1x57 h VAL 42 N -1.06 1.18 -0.34 2.39 -1.51 -1.95 -1.71 116.25 113.24 1x57 h VAL 42 Ca -0.10 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1x57 h VAL 42 Cb 0.82 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 31.02 1x57 h VAL 42 CO 0.15 0.25 0.22 0.40 -1.23 0.00 0.00 177.57 177.36 1x57 h ILE 43 N 0.37 1.10 0.00 7.19 1.08 -1.62 0.23 117.51 125.87 1x57 h ILE 43 Ca 0.08 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1x57 h ILE 43 Cb 0.33 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1x57 h ILE 43 CO 0.01 0.10 -0.09 0.00 -0.69 0.00 0.00 178.15 177.48 1x57 h ALA 44 N 1.10 1.74 0.16 1.87 0.00 -1.05 -1.71 119.26 121.38 1x57 h ALA 44 Ca 0.12 -0.08 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 1x57 h ALA 44 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1x57 h ALA 44 CO -0.02 0.12 -1.69 -0.44 0.00 0.00 0.00 179.25 177.21 1x57 h ASP 45 N 0.00 0.54 -0.93 0.00 5.19 -0.82 -3.33 116.42 117.07 1x57 h ASP 45 Ca -0.00 -0.80 0.11 0.00 -0.62 0.00 0.00 57.03 55.72 1x57 h ASP 45 Cb 0.18 -0.17 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 1x57 h ASP 45 CO 0.01 1.67 0.57 1.88 -3.12 0.00 0.00 179.24 180.25 1x57 h TYR 46 N 0.09 1.03 -0.73 4.55 0.05 -0.31 0.61 116.97 122.26 1x57 h TYR 46 Ca -0.31 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.53 1x57 h TYR 46 Cb 2.07 -0.32 -0.05 0.00 1.01 0.00 0.00 36.73 39.45 1x57 h TYR 46 CO 0.09 0.42 0.46 0.93 -1.05 0.00 0.00 178.16 179.01 1x57 h GLU 47 N 0.93 0.88 -0.02 4.88 5.08 -1.43 -2.11 114.58 122.79 1x57 h GLU 47 Ca 0.45 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.55 1x57 h GLU 47 Cb 0.42 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1x57 h GLU 47 CO -0.25 0.58 -0.89 0.77 -1.00 0.00 0.00 179.01 178.22 1x57 h SER 48 N 0.90 0.49 -0.50 1.42 0.02 -1.57 -3.37 113.55 110.95 1x57 h SER 48 Ca 0.29 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1x57 h SER 48 Cb 0.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1x57 h SER 48 CO -0.11 1.17 0.00 0.61 -1.14 0.00 0.00 176.83 177.36 1x57 n GLY 49 N 0.86 0.67 0.00 -3.77 0.00 -0.16 -2.90 105.19 99.89 1x57 n GLY 49 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.25 -0.42 -2.45 1.61 1.74 0.02 -4.95 116.66 111.97 1x57 n ARG 50 Ca 0.00 -0.28 -0.24 0.00 -0.77 0.00 0.00 57.85 56.56 1x57 n ARG 50 Cb 0.15 -0.77 0.10 0.00 -1.02 0.00 0.00 32.46 30.93 1x57 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x57 s ALA 51 N -0.02 3.44 -0.39 7.54 0.00 -1.21 -4.91 121.76 126.21 1x57 s ALA 51 Ca 0.00 -1.50 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1x57 s ALA 51 Cb 0.00 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.92 1x57 s ALA 51 CO 0.00 -1.49 0.53 0.42 0.00 0.00 0.00 175.76 175.22 1x57 s ILE 52 N -3.22 4.98 -0.31 0.00 -1.09 -1.26 -4.89 121.20 115.41 1x57 s ILE 52 Ca 0.65 0.14 -0.29 0.00 -2.23 0.00 0.00 60.65 58.93 1x57 s ILE 52 Cb -0.06 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 1x57 s ILE 52 CO 0.45 -0.36 1.21 -2.16 -1.23 0.00 0.00 174.94 172.85 1x57 s PRO 53 N 2.46 3.97 -0.01 2.79 0.04 -1.26 -5.01 135.00 137.98 1x57 s PRO 53 Ca 0.18 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.44 1x57 s PRO 53 Cb -0.15 -3.82 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 1x57 s PRO 53 CO 0.15 -1.04 -0.13 1.21 0.04 0.00 0.00 177.00 177.23 1x57 s ASN 54 N 2.33 4.12 0.58 6.66 2.47 -1.26 -5.00 114.94 124.84 1x57 s ASN 54 Ca 0.52 -0.24 0.27 0.00 0.42 0.00 0.00 52.86 53.83 1x57 s ASN 54 Cb -0.15 -0.84 1.66 0.00 -1.45 0.00 0.00 41.25 40.47 1x57 s ASN 54 CO 0.20 0.31 2.16 -0.55 -3.72 0.00 0.00 177.10 175.50 1x57 h ASN 55 N 4.91 0.00 0.66 -4.21 -1.07 -1.97 0.42 115.58 114.32 1x57 h ASN 55 Ca -0.47 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 55.86 1x57 h ASN 55 Cb 1.16 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.41 1x57 h ASN 55 CO 0.50 0.00 -0.32 -0.61 0.07 0.00 0.00 177.43 177.08 1x57 h GLN 56 N 0.00 -0.86 -0.29 4.14 4.15 -1.99 -0.94 115.11 119.33 1x57 h GLN 56 Ca 0.05 0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.44 1x57 h GLN 56 Cb 0.28 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1x57 h GLN 56 CO -0.00 -0.54 -0.17 0.28 -1.93 0.00 0.00 178.83 176.47 1x57 h VAL 57 N -1.04 1.30 -0.68 2.39 2.07 -1.69 -2.20 116.25 116.41 1x57 h VAL 57 Ca -0.09 -1.28 0.14 0.00 0.82 0.00 0.00 66.70 66.29 1x57 h VAL 57 Cb 0.72 1.51 -0.11 0.00 -1.52 0.00 0.00 31.29 31.89 1x57 h VAL 57 CO 0.15 0.41 0.10 -0.07 0.02 0.00 0.00 177.57 178.18 1x57 h LEU 58 N 0.36 -0.11 -0.72 2.57 3.38 -1.05 0.08 115.31 119.82 1x57 h LEU 58 Ca 0.06 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1x57 h LEU 58 Cb 0.70 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1x57 h LEU 58 CO 0.05 -0.07 0.44 1.23 0.09 0.00 0.00 178.44 180.18 1x57 h GLY 59 N 0.21 1.05 0.96 0.83 0.00 -0.79 -0.12 103.07 105.21 1x57 h GLY 59 Ca 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1x57 h GLY 59 CO -0.51 0.25 0.21 0.50 0.00 0.00 0.00 176.54 176.99 1x57 h LYS 60 N 0.84 0.55 -0.34 4.80 1.57 -0.61 -2.84 116.57 120.55 1x57 h LYS 60 Ca 0.30 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1x57 h LYS 60 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1x57 h LYS 60 CO -0.13 0.46 0.14 0.82 -0.57 0.00 0.00 179.45 180.16 1x57 h ILE 61 N 0.50 1.13 -0.05 1.86 2.04 -0.42 -2.24 117.51 120.34 1x57 h ILE 61 Ca 0.14 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1x57 h ILE 61 Cb 0.07 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1x57 h ILE 61 CO -0.02 0.15 -0.10 -0.33 0.00 0.00 0.00 178.15 177.85 1x57 h GLU 62 N 0.47 -0.14 -0.86 2.37 5.08 -0.79 -1.73 114.58 118.98 1x57 h GLU 62 Ca 0.12 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.60 1x57 h GLU 62 Cb 0.09 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 1x57 h GLU 62 CO -0.01 -0.10 0.49 0.00 -1.00 0.00 0.00 179.01 178.39 1x57 h ARG 63 N -0.15 0.75 -0.85 2.33 3.08 -1.41 0.19 114.38 118.32 1x57 h ARG 63 Ca 0.05 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.18 1x57 h ARG 63 Cb 0.22 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 1x57 h ARG 63 CO -0.14 0.50 0.47 0.00 -1.07 0.00 0.00 179.97 179.73 1x57 h ALA 64 N 1.50 1.25 0.00 0.04 0.00 -0.74 -3.15 119.26 118.15 1x57 h ALA 64 Ca 0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1x57 h ALA 64 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1x57 h ALA 64 CO -0.29 0.04 -0.96 0.44 0.00 0.00 0.00 179.25 178.49 1x57 n ILE 65 N -4.78 0.00 -1.40 0.00 -5.35 -1.11 -4.98 119.36 101.74 1x57 n ILE 65 Ca 0.15 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1x57 n ILE 65 Cb 0.34 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 1.85 0.46 3.31 3.28 0.00 0.64 -4.97 105.19 109.77 1x57 n GLY 66 Ca -0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 2.37 0.39 0.99 1.43 -1.17 -1.73 118.68 120.96 1x57 s LEU 67 Ca 0.00 -1.12 -0.24 0.00 -1.03 0.00 0.00 54.13 51.74 1x57 s LEU 67 Cb 0.00 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.77 1x57 s LEU 67 CO 0.00 -0.40 1.01 -0.54 0.23 0.00 0.00 176.35 176.64 1x57 s LYS 68 N -3.79 4.27 0.00 1.70 1.02 0.11 -4.33 119.74 118.73 1x57 s LYS 68 Ca 0.24 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.63 1x57 s LYS 68 Cb 0.04 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1x57 s LYS 68 CO 0.06 -0.03 0.72 1.28 -0.92 0.00 0.00 175.35 176.46 1x57 n LEU 69 N -0.02 1.40 -4.14 3.17 7.99 -1.26 -1.21 117.00 122.93 1x57 n LEU 69 Ca 0.05 -1.40 -0.09 0.00 -0.01 0.00 0.00 56.01 54.55 1x57 n LEU 69 Cb 0.50 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.71 1x57 n LEU 69 CO 0.43 0.35 -0.32 -0.13 -1.51 0.00 0.00 177.39 176.22 1x57 s ARG 70 N -0.47 0.84 0.00 3.23 0.52 -1.26 -4.84 118.95 116.97 1x57 s ARG 70 Ca 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 1x57 s ARG 70 Cb 0.00 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.66 1x57 s ARG 70 CO 0.00 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1x57 n GLY 71 N -0.04 -1.12 0.00 -3.53 0.00 -1.26 -3.86 105.19 95.39 1x57 n GLY 71 Ca -0.08 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.40 1x57 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x57 n LYS 72 N -1.21 0.01 0.00 1.61 5.02 -1.26 -2.32 118.16 120.01 1x57 n LYS 72 Ca 0.00 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.52 1x57 n LYS 72 Cb 0.00 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x57 n ASP 73 N -1.49 0.00 -4.63 4.39 9.92 -1.26 -4.91 116.55 118.58 1x57 n ASP 73 Ca 0.04 -1.37 -0.43 0.00 -0.53 0.00 0.00 54.79 52.50 1x57 n ASP 73 Cb 0.19 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.67 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 -0.59 2.17 -0.50 0.53 3.06 -0.98 -1.45 119.36 121.59 1x57 n ILE 74 Ca 0.03 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.78 1x57 n ILE 74 Cb 0.02 -1.21 0.00 0.00 0.54 0.00 0.00 39.64 38.99 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 1.09 1.66 3.76 4.50 0.00 -0.35 -4.94 105.19 110.91 1x57 n GLY 75 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.07 3.47 0.81 1.61 -0.14 -0.53 -4.53 119.74 120.36 1x57 s LYS 76 Ca 0.00 1.93 -0.11 0.00 -1.36 0.00 0.00 55.97 56.43 1x57 s LYS 76 Cb 0.00 -2.30 0.08 0.00 -1.68 0.00 0.00 37.83 33.93 1x57 s LYS 76 CO 0.00 -0.83 1.09 -1.25 -0.76 0.00 0.00 175.35 173.60 1x57 s PRO 77 N -2.84 1.93 -0.40 -1.68 0.04 -1.26 0.10 135.00 130.89 1x57 s PRO 77 Ca 0.68 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 1x57 s PRO 77 Cb -0.33 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1x57 s PRO 77 CO 0.39 -1.82 0.28 0.96 0.04 0.00 0.00 177.00 176.84 1x57 s ILE 78 N -2.94 5.08 0.00 0.56 -4.36 -0.70 -4.60 121.20 114.24 1x57 s ILE 78 Ca 0.62 -0.73 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 1x57 s ILE 78 Cb -0.17 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.70 1x57 s ILE 78 CO 0.56 -0.30 0.00 -0.62 0.24 0.00 0.00 174.94 174.82 1x57 n GLU 79 N 5.12 0.00 -4.53 0.37 1.02 -1.26 -4.61 120.64 116.75 1x57 n GLU 79 Ca -0.11 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.81 1x57 n GLU 79 Cb 0.47 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.74 1x57 n GLU 79 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x57 s LYS 80 N 0.00 1.08 0.00 3.49 1.02 -1.26 -5.14 119.74 118.94 1x57 s LYS 80 Ca 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1x57 s LYS 80 Cb 0.00 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.23 1x57 s LYS 80 CO 0.00 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 1x57 n GLY 81 N 2.31 1.69 3.74 -3.33 0.00 -1.26 -4.95 105.19 103.38 1x57 n GLY 81 Ca -0.16 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.00 1.32 0.92 1.61 0.04 -1.26 -4.85 135.00 130.77 1x57 s PRO 82 Ca 0.00 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1x57 s PRO 82 Cb 0.00 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.86 1x57 s PRO 82 CO 0.00 -2.17 1.10 -0.98 0.04 0.00 0.00 177.00 174.99 1x57 s ARG 83 N -5.02 1.06 0.08 4.56 1.70 -1.26 -4.61 118.95 115.45 1x57 s ARG 83 Ca 0.63 1.11 -0.03 0.00 -0.47 0.00 0.00 55.73 56.97 1x57 s ARG 83 Cb -0.17 -1.76 -0.03 0.00 -0.57 0.00 0.00 34.95 32.42 1x57 s ARG 83 CO 0.56 -2.46 0.04 0.00 -1.08 0.00 0.00 175.30 172.36 1x57 s ALA 84 N -2.77 0.42 0.97 7.88 0.00 -1.26 -5.08 121.76 121.92 1x57 s ALA 84 Ca 0.65 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 1x57 s ALA 84 Cb -0.20 0.46 0.19 0.00 0.00 0.00 0.00 23.12 23.57 1x57 s ALA 84 CO 0.58 -0.43 1.27 0.21 0.00 0.00 0.00 175.76 177.39 1x57 s LYS 85 N -3.94 0.59 0.08 0.00 2.20 -1.26 -5.00 119.74 112.41 1x57 s LYS 85 Ca 0.11 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1x57 s LYS 85 Cb 0.07 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.56 1x57 s LYS 85 CO -0.07 -2.47 0.06 -1.13 -0.36 0.00 0.00 175.35 171.37 1x57 n SER 86 N -3.84 0.24 0.00 1.43 3.41 -1.26 -4.99 113.62 108.61 1x57 n SER 86 Ca 0.13 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1x57 n SER 86 Cb 0.60 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1x57 n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x57 n GLY 87 N 0.46 0.69 2.15 5.00 0.00 -1.26 -5.18 105.19 107.06 1x57 n GLY 87 Ca 0.01 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1x57 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x57 n PRO 88 N -0.25 -1.18 -1.03 1.61 -0.04 -1.26 -5.12 135.00 127.72 1x57 n PRO 88 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1x57 n PRO 88 Cb 0.00 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1x57 n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x57 n SER 89 N -3.66 1.61 -1.70 3.54 3.41 -1.26 -5.08 113.62 110.47 1x57 n SER 89 Ca 0.09 -0.51 -0.05 0.00 -0.26 0.00 0.00 58.87 58.14 1x57 n SER 89 Cb 0.33 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1x57 n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x57 n SER 90 N -0.71 -0.60 0.00 4.04 2.88 -1.26 -5.24 113.62 112.73 1x57 n SER 90 Ca 0.00 -1.65 0.00 0.00 -1.33 0.00 0.00 58.87 55.89 1x57 n SER 90 Cb 0.00 1.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42