#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 n SER 2 N 0.00 0.00 -4.53 1.61 7.64 -1.26 -4.77 113.62 112.31 1x57 n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1x57 n SER 2 Cb 0.00 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.43 1x57 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x57 s SER 3 N 0.00 1.40 0.00 6.43 1.04 -1.26 -5.06 113.70 116.26 1x57 s SER 3 Ca 0.00 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1x57 s SER 3 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1x57 s SER 3 CO 0.00 -3.97 0.00 0.61 0.98 0.00 0.00 173.24 170.86 1x57 n GLY 4 N 0.73 0.02 2.84 7.32 0.00 -1.26 -5.10 105.19 109.74 1x57 n GLY 4 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.29 -5.66 -3.84 1.61 7.64 -1.26 -4.56 113.62 106.27 1x57 n SER 5 Ca 0.00 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.89 1x57 n SER 5 Cb 0.00 -3.99 -0.13 0.00 -1.01 0.00 0.00 64.21 59.09 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 -1.02 -0.10 0.19 6.43 1.04 -1.26 -5.04 113.70 113.95 1x57 s SER 6 Ca -0.08 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1x57 s SER 6 Cb 0.01 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1x57 s SER 6 CO 0.51 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.28 1x57 n GLY 7 N 2.92 -2.30 2.00 7.32 0.00 -1.26 -4.52 105.19 109.34 1x57 n GLY 7 Ca -0.13 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.15 5.45 -4.73 1.61 8.00 -1.26 -4.95 116.55 117.52 1x57 n ASP 8 Ca -0.02 -2.58 -0.42 0.00 0.71 0.00 0.00 54.79 52.48 1x57 n ASP 8 Cb 0.26 -1.35 -0.03 0.00 -0.02 0.00 0.00 41.12 39.98 1x57 n ASP 8 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x57 s ARG 9 N 0.44 4.23 1.00 -1.24 0.52 -1.26 -5.01 118.95 117.62 1x57 s ARG 9 Ca 0.56 2.36 -0.11 0.00 -0.52 0.00 0.00 55.73 58.02 1x57 s ARG 9 Cb 0.28 -3.12 0.19 0.00 0.52 0.00 0.00 34.95 32.83 1x57 s ARG 9 CO -0.03 -0.53 1.09 0.14 0.02 0.00 0.00 175.30 176.00 1x57 s VAL 10 N 0.51 2.16 0.48 3.52 -7.23 -1.26 -5.10 120.40 113.48 1x57 s VAL 10 Ca 0.65 0.05 0.04 0.00 -1.81 0.00 0.00 61.98 60.91 1x57 s VAL 10 Cb -0.43 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1x57 s VAL 10 CO 0.38 -0.07 0.12 0.28 -0.31 0.00 0.00 175.10 175.50 1x57 s THR 11 N -2.62 1.67 0.87 5.32 -1.32 -1.26 -5.14 115.64 113.17 1x57 s THR 11 Ca 0.67 -1.84 -0.10 0.00 -1.21 0.00 0.00 61.69 59.21 1x57 s THR 11 Cb -0.23 -2.51 0.12 0.00 -1.51 0.00 0.00 72.50 68.37 1x57 s THR 11 CO 0.60 0.00 1.11 -0.76 -2.21 0.00 0.00 174.62 173.37 1x57 s LEU 12 N -3.93 2.76 0.16 9.08 1.02 -1.26 -4.71 118.68 121.80 1x57 s LEU 12 Ca 0.25 1.94 -0.19 0.00 0.02 0.00 0.00 54.13 56.15 1x57 s LEU 12 Cb 0.03 -4.43 0.06 0.00 0.02 0.00 0.00 46.19 41.87 1x57 s LEU 12 CO 0.14 -2.69 1.66 -0.33 0.02 0.00 0.00 176.35 175.15 1x57 h GLU 13 N -1.59 -0.06 0.14 1.70 5.08 -1.99 -0.56 114.58 117.31 1x57 h GLU 13 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1x57 h GLU 13 Cb 1.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1x57 h GLU 13 CO 0.47 -0.04 -0.33 0.28 -1.00 0.00 0.00 179.01 178.39 1x57 h VAL 14 N -0.06 0.00 -0.93 3.13 2.07 -1.92 -1.39 116.25 117.15 1x57 h VAL 14 Ca 0.17 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.86 1x57 h VAL 14 Cb 0.32 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.98 1x57 h VAL 14 CO -0.38 0.00 0.52 1.23 0.02 0.00 0.00 177.57 178.97 1x57 h GLY 15 N -0.52 1.60 0.75 2.17 0.00 -1.58 0.55 103.07 106.04 1x57 h GLY 15 Ca -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1x57 h GLY 15 CO -0.14 -0.06 -0.04 1.70 0.00 0.00 0.00 176.54 178.01 1x57 h LYS 16 N 0.69 -0.10 -0.22 4.80 1.63 -0.86 -1.69 116.57 120.82 1x57 h LYS 16 Ca 0.53 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.25 1x57 h LYS 16 Cb 0.79 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1x57 h LYS 16 CO -0.38 0.15 -0.24 0.28 -3.45 0.00 0.00 179.45 175.82 1x57 h VAL 17 N -0.35 1.25 0.46 2.00 2.07 -0.61 -0.05 116.25 121.02 1x57 h VAL 17 Ca -0.01 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1x57 h VAL 17 Cb 0.30 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1x57 h VAL 17 CO 0.02 0.37 -0.42 0.40 0.02 0.00 0.00 177.57 177.96 1x57 h ILE 18 N 0.36 0.16 -0.29 4.57 2.04 -0.80 0.62 117.51 124.16 1x57 h ILE 18 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1x57 h ILE 18 Cb 0.62 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1x57 h ILE 18 CO 0.04 0.00 0.14 -0.61 0.00 0.00 0.00 178.15 177.73 1x57 h GLN 19 N -0.88 0.30 0.33 2.37 4.15 -0.98 -1.03 115.11 119.37 1x57 h GLN 19 Ca -0.05 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1x57 h GLN 19 Cb 0.77 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.39 1x57 h GLN 19 CO -0.04 0.20 -0.16 1.96 -1.93 0.00 0.00 178.83 178.85 1x57 h GLN 20 N 0.30 -0.43 0.00 1.69 1.08 -0.89 -1.20 115.11 115.66 1x57 h GLN 20 Ca 0.12 0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.28 1x57 h GLN 20 Cb 0.04 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1x57 h GLN 20 CO -0.09 -0.28 -0.33 0.78 -0.95 0.00 0.00 178.83 177.96 1x57 h GLY 21 N -0.46 0.00 0.11 3.46 0.00 -0.79 0.26 103.07 105.66 1x57 h GLY 21 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1x57 h GLY 21 CO 0.07 0.00 -0.12 3.21 0.00 0.00 0.00 176.54 179.71 1x57 h ARG 22 N 0.00 -0.22 -0.39 4.80 3.08 -1.10 -3.22 114.38 117.34 1x57 h ARG 22 Ca -0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1x57 h ARG 22 Cb 0.86 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1x57 h ARG 22 CO 0.04 -0.15 0.17 -0.56 -1.07 0.00 0.00 179.97 178.41 1x57 h GLN 23 N -0.23 0.53 0.00 0.04 -0.00 -0.67 -0.08 115.11 114.71 1x57 h GLN 23 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1x57 h GLN 23 Cb 0.20 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 1x57 h GLN 23 CO -0.02 0.43 0.00 0.45 -0.00 0.00 0.00 178.83 179.69 1x57 n SER 24 N -4.40 0.06 -0.10 0.06 2.88 0.87 -1.08 113.62 111.91 1x57 n SER 24 Ca 0.03 0.51 0.01 0.00 -1.33 0.00 0.00 58.87 58.09 1x57 n SER 24 Cb 0.13 -0.53 0.02 0.00 -0.75 0.00 0.00 64.21 63.08 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x57 n LYS 25 N -1.56 2.02 -0.81 -1.46 5.02 -0.17 -4.99 118.16 116.20 1x57 n LYS 25 Ca 0.03 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.99 1x57 n LYS 25 Cb 0.17 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 -0.22 0.45 3.66 0.72 0.00 -0.24 -4.96 105.19 104.59 1x57 n GLY 26 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.29 1.06 0.99 1.43 -0.45 -4.90 118.68 121.11 1x57 s LEU 27 Ca 0.00 2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 55.15 1x57 s LEU 27 Cb 0.00 -3.53 0.22 0.00 0.03 0.00 0.00 46.19 42.91 1x57 s LEU 27 CO 0.00 -0.95 1.13 0.28 0.23 0.00 0.00 176.35 177.04 1x57 s THR 28 N 4.12 1.85 0.12 5.49 -1.32 -1.26 -4.04 115.64 120.60 1x57 s THR 28 Ca 0.73 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.94 1x57 s THR 28 Cb -0.33 -2.58 -0.06 0.00 -1.51 0.00 0.00 72.50 68.03 1x57 s THR 28 CO 0.29 0.00 1.61 1.56 -2.21 0.00 0.00 174.62 175.88 1x57 h GLN 29 N -2.08 -0.46 -0.10 7.08 4.20 -1.97 -1.32 115.11 120.46 1x57 h GLN 29 Ca -0.50 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.27 1x57 h GLN 29 Cb 1.31 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 1x57 h GLN 29 CO 0.48 -0.31 0.09 -0.22 -0.67 0.00 0.00 178.83 178.21 1x57 h LYS 30 N -0.48 0.00 -0.26 1.46 3.64 -1.93 0.33 116.57 119.34 1x57 h LYS 30 Ca 0.06 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1x57 h LYS 30 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1x57 h LYS 30 CO -0.26 0.00 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.11 1x57 h ASP 31 N 0.00 0.62 -0.06 4.20 3.32 -1.61 -2.33 116.42 120.56 1x57 h ASP 31 Ca 0.05 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1x57 h ASP 31 Cb 0.24 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1x57 h ASP 31 CO -0.00 0.93 -0.04 0.25 -1.72 0.00 0.00 179.24 178.67 1x57 h LEU 32 N 0.49 0.13 -0.25 1.55 7.12 -0.14 0.85 115.31 125.07 1x57 h LEU 32 Ca 0.05 -0.44 0.06 0.00 0.13 0.00 0.00 57.88 57.68 1x57 h LEU 32 Cb 0.87 -0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.90 1x57 h LEU 32 CO 0.07 0.54 -0.18 0.00 -0.13 0.00 0.00 178.44 178.75 1x57 h ALA 33 N 0.60 -0.01 -0.00 1.25 0.00 -1.39 -1.34 119.26 118.36 1x57 h ALA 33 Ca 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1x57 h ALA 33 Cb 0.49 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1x57 h ALA 33 CO 0.01 -0.59 -0.38 1.15 0.00 0.00 0.00 179.25 179.44 1x57 h THR 34 N -0.17 1.27 -0.05 0.00 2.02 -1.34 0.11 112.91 114.77 1x57 h THR 34 Ca 0.14 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.01 1x57 h THR 34 Cb 0.38 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1x57 h THR 34 CO -0.35 0.37 0.03 0.11 0.37 0.00 0.00 175.52 176.05 1x57 h LYS 35 N 0.01 0.06 -0.00 6.66 1.57 -0.06 -3.07 116.57 121.74 1x57 h LYS 35 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x57 h LYS 35 Cb 0.67 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1x57 h LYS 35 CO 0.05 0.04 -0.20 0.44 -0.57 0.00 0.00 179.45 179.21 1x57 n ILE 36 N -5.06 0.00 -3.19 1.86 -5.35 -0.58 -4.96 119.36 102.09 1x57 n ILE 36 Ca -0.06 -0.06 -0.08 0.00 -0.27 0.00 0.00 62.75 62.27 1x57 n ILE 36 Cb 0.03 0.05 0.03 0.00 -1.74 0.00 0.00 39.64 38.02 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 -1.00 -7.13 -3.82 7.28 5.15 0.16 -5.05 115.26 110.85 1x57 n ASN 37 Ca 0.12 -0.41 -0.23 0.00 -0.60 0.00 0.00 54.58 53.45 1x57 n ASN 37 Cb 0.31 -5.12 -0.08 0.00 -0.53 0.00 0.00 39.78 34.36 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 -3.78 1.87 0.48 1.20 0.41 0.11 -5.00 118.70 113.99 1x57 s GLU 38 Ca 0.22 -2.13 -0.19 0.00 -0.41 0.00 0.00 54.97 52.47 1x57 s GLU 38 Cb -0.03 -0.24 -0.09 0.00 -1.78 0.00 0.00 34.13 31.98 1x57 s GLU 38 CO 0.75 -0.56 0.98 0.15 -0.49 0.00 0.00 175.26 176.09 1x57 s LYS 39 N -3.61 4.04 0.09 1.61 -0.14 -1.26 -4.26 119.74 116.21 1x57 s LYS 39 Ca 0.30 1.08 0.28 0.00 -1.36 0.00 0.00 55.97 56.26 1x57 s LYS 39 Cb 0.02 -2.15 1.06 0.00 -1.68 0.00 0.00 37.83 35.08 1x57 s LYS 39 CO 0.19 -0.19 1.86 -0.35 -0.76 0.00 0.00 175.35 176.10 1x57 n PRO 40 N -1.09 0.11 -0.05 -1.68 -0.04 -1.26 -3.65 135.00 127.34 1x57 n PRO 40 Ca 0.07 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.48 1x57 n PRO 40 Cb 0.54 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 1x57 n PRO 40 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1x57 h GLN 41 N 0.00 0.53 -0.45 0.54 1.08 -1.97 -2.63 115.11 112.22 1x57 h GLN 41 Ca 0.00 -0.36 -0.11 0.00 -1.45 0.00 0.00 58.65 56.73 1x57 h GLN 41 Cb 0.59 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1x57 h GLN 41 CO 0.00 0.98 -0.16 -0.39 -0.95 0.00 0.00 178.83 178.30 1x57 h VAL 42 N 0.17 1.27 -0.16 -0.54 -1.51 -1.99 -1.48 116.25 112.00 1x57 h VAL 42 Ca -0.00 -1.28 0.04 0.00 -1.23 0.00 0.00 66.70 64.23 1x57 h VAL 42 Cb 0.98 1.10 -0.04 0.00 -2.13 0.00 0.00 31.29 31.20 1x57 h VAL 42 CO 0.08 0.44 -0.08 0.40 -1.23 0.00 0.00 177.57 177.18 1x57 h ILE 43 N 0.76 0.74 -0.16 7.19 1.08 -1.68 -0.67 117.51 124.77 1x57 h ILE 43 Ca 0.11 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.61 1x57 h ILE 43 Cb 0.69 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1x57 h ILE 43 CO 0.05 0.00 0.11 0.00 -0.69 0.00 0.00 178.15 177.62 1x57 h ALA 44 N 1.06 2.03 0.01 1.87 0.00 -0.97 -1.53 119.26 121.74 1x57 h ALA 44 Ca 0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 1x57 h ALA 44 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1x57 h ALA 44 CO -0.20 -0.06 -0.95 -0.44 0.00 0.00 0.00 179.25 177.60 1x57 h ASP 45 N 0.10 0.08 -0.63 0.00 5.19 -0.53 -3.08 116.42 117.55 1x57 h ASP 45 Ca 0.07 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1x57 h ASP 45 Cb 0.15 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.60 1x57 h ASP 45 CO -0.01 0.98 0.40 1.88 -3.12 0.00 0.00 179.24 179.37 1x57 h TYR 46 N 0.02 0.75 -0.94 4.55 -1.99 -0.16 -0.54 116.97 118.65 1x57 h TYR 46 Ca -0.03 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.81 1x57 h TYR 46 Cb 1.64 -0.25 -0.07 0.00 2.00 0.00 0.00 36.73 40.06 1x57 h TYR 46 CO 0.01 0.44 0.59 1.49 -0.00 0.00 0.00 178.16 180.69 1x57 h GLU 47 N 0.79 0.99 -0.52 4.88 4.81 -1.31 -1.78 114.58 122.45 1x57 h GLU 47 Ca 0.24 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1x57 h GLU 47 Cb -0.02 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1x57 h GLU 47 CO -0.08 0.65 0.00 0.43 -0.73 0.00 0.00 179.01 179.28 1x57 n SER 48 N -4.60 3.41 0.00 1.04 7.64 -1.23 -4.32 113.62 115.56 1x57 n SER 48 Ca 0.15 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 58.05 1x57 n SER 48 Cb 0.24 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 1x57 n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 49 N 1.11 0.50 0.09 0.23 0.00 -0.67 -4.88 105.19 101.58 1x57 n GLY 49 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 0.62 -2.05 1.61 1.74 -0.31 -4.82 116.66 111.45 1x57 n ARG 50 Ca 0.00 0.09 -0.38 0.00 -0.77 0.00 0.00 57.85 56.79 1x57 n ARG 50 Cb 0.00 -1.77 0.01 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.27 2.96 -0.21 7.54 0.00 -0.60 -4.94 121.76 123.23 1x57 s ALA 51 Ca -0.02 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 1x57 s ALA 51 Cb 0.10 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1x57 s ALA 51 CO 0.81 -0.95 1.43 0.42 0.00 0.00 0.00 175.76 177.47 1x57 s ILE 52 N -1.41 3.98 -0.05 0.00 -1.09 -1.26 -4.77 121.20 116.59 1x57 s ILE 52 Ca 0.65 1.13 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 1x57 s ILE 52 Cb -0.34 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1x57 s ILE 52 CO 0.42 -0.29 1.40 -2.16 -1.23 0.00 0.00 174.94 173.08 1x57 s PRO 53 N 4.15 4.26 -0.09 2.79 0.04 -1.26 -4.98 135.00 139.91 1x57 s PRO 53 Ca 0.62 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.58 1x57 s PRO 53 Cb -0.22 -3.68 0.02 0.00 0.04 0.00 0.00 34.50 30.66 1x57 s PRO 53 CO 0.24 -0.64 -0.05 1.21 0.04 0.00 0.00 177.00 177.79 1x57 s ASN 54 N 2.11 1.80 0.45 6.66 3.84 -1.26 -5.03 114.94 123.51 1x57 s ASN 54 Ca 0.63 -0.22 0.24 0.00 0.21 0.00 0.00 52.86 53.73 1x57 s ASN 54 Cb -0.29 -0.67 1.26 0.00 -0.55 0.00 0.00 41.25 41.00 1x57 s ASN 54 CO 0.24 -0.11 1.79 -1.13 -2.79 0.00 0.00 177.10 175.10 1x57 h ASN 55 N 7.95 0.28 -0.66 -4.21 -1.24 -1.97 0.55 115.58 116.29 1x57 h ASN 55 Ca -0.28 0.05 0.07 0.00 0.71 0.00 0.00 56.30 56.85 1x57 h ASN 55 Cb 1.14 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.16 1x57 h ASN 55 CO 0.38 0.06 0.43 1.56 -1.29 0.00 0.00 177.43 178.57 1x57 h GLN 56 N 0.25 0.60 0.06 6.67 4.20 -2.01 -0.69 115.11 124.19 1x57 h GLN 56 Ca 0.57 -0.04 -0.37 0.00 0.06 0.00 0.00 58.65 58.88 1x57 h GLN 56 Cb 1.72 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.33 1x57 h GLN 56 CO -0.19 0.39 -2.10 0.28 -0.67 0.00 0.00 178.83 176.54 1x57 n VAL 57 N -4.48 1.65 -0.36 -0.54 0.31 -0.32 -4.31 118.33 110.28 1x57 n VAL 57 Ca 0.10 -0.54 0.04 0.00 -0.01 0.00 0.00 64.34 63.93 1x57 n VAL 57 Cb 0.27 -1.69 0.20 0.00 -0.91 0.00 0.00 33.84 31.71 1x57 n VAL 57 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x57 h LEU 58 N -0.16 1.00 -1.14 7.52 3.38 -0.68 0.04 115.31 125.26 1x57 h LEU 58 Ca -0.49 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1x57 h LEU 58 Cb 1.88 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.38 1x57 h LEU 58 CO -0.04 0.62 0.58 1.23 0.09 0.00 0.00 178.44 180.92 1x57 h GLY 59 N 1.12 1.27 0.82 0.83 0.00 -1.35 0.17 103.07 105.93 1x57 h GLY 59 Ca 0.44 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1x57 h GLY 59 CO -0.18 0.39 0.02 0.50 0.00 0.00 0.00 176.54 177.27 1x57 h LYS 60 N 1.13 0.28 -0.45 4.80 1.57 -1.25 -3.14 116.57 119.51 1x57 h LYS 60 Ca 0.35 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1x57 h LYS 60 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1x57 h LYS 60 CO -0.10 0.46 0.26 0.82 -0.57 0.00 0.00 179.45 180.32 1x57 h ILE 61 N 0.05 1.13 -0.15 1.86 2.04 -0.43 -1.98 117.51 120.04 1x57 h ILE 61 Ca 0.05 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1x57 h ILE 61 Cb 0.32 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1x57 h ILE 61 CO 0.00 0.14 -0.06 -0.33 0.00 0.00 0.00 178.15 177.91 1x57 h GLU 62 N 0.61 -0.03 -0.57 2.37 5.08 -0.94 -1.26 114.58 119.83 1x57 h GLU 62 Ca 0.16 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1x57 h GLU 62 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1x57 h GLU 62 CO -0.03 -0.02 0.38 0.00 -1.00 0.00 0.00 179.01 178.34 1x57 h ARG 63 N -0.03 0.69 -0.31 2.33 3.08 -1.38 0.29 114.38 119.05 1x57 h ARG 63 Ca 0.08 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1x57 h ARG 63 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1x57 h ARG 63 CO -0.17 0.46 0.21 0.00 -1.07 0.00 0.00 179.97 179.39 1x57 h ALA 64 N 1.66 1.82 0.00 0.04 0.00 -0.58 -2.90 119.26 119.29 1x57 h ALA 64 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x57 h ALA 64 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x57 h ALA 64 CO -0.05 0.16 -0.44 0.44 0.00 0.00 0.00 179.25 179.36 1x57 n ILE 65 N -4.49 0.00 -3.39 0.00 -5.35 -1.06 -4.92 119.36 100.15 1x57 n ILE 65 Ca 0.02 -0.33 -0.19 0.00 -0.27 0.00 0.00 62.75 61.97 1x57 n ILE 65 Cb 0.09 0.87 0.06 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.35 -0.26 3.20 3.28 0.00 1.00 -4.98 105.19 108.78 1x57 n GLY 66 Ca 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.12 1.59 0.39 0.99 1.43 -1.12 -3.49 118.68 112.35 1x57 s LEU 67 Ca 0.48 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 1x57 s LEU 67 Cb -0.21 0.61 -0.09 0.00 0.03 0.00 0.00 46.19 46.53 1x57 s LEU 67 CO 0.59 -0.76 1.22 -0.54 0.23 0.00 0.00 176.35 177.09 1x57 s LYS 68 N -4.00 4.08 0.00 1.70 1.02 0.56 -4.47 119.74 118.64 1x57 s LYS 68 Ca 0.19 1.98 0.03 0.00 0.02 0.00 0.00 55.97 58.19 1x57 s LYS 68 Cb 0.06 -2.77 0.05 0.00 -0.52 0.00 0.00 37.83 34.65 1x57 s LYS 68 CO -0.01 -0.34 0.80 1.28 -0.92 0.00 0.00 175.35 176.16 1x57 n LEU 69 N 0.22 1.67 -4.16 3.17 7.99 -1.26 -1.12 117.00 123.51 1x57 n LEU 69 Ca 0.03 -1.43 -0.10 0.00 -0.01 0.00 0.00 56.01 54.51 1x57 n LEU 69 Cb 0.45 -0.03 -0.10 0.00 -0.11 0.00 0.00 43.42 43.63 1x57 n LEU 69 CO 0.53 0.40 -0.33 -0.13 -1.51 0.00 0.00 177.39 176.36 1x57 s ARG 70 N -0.57 0.88 0.14 3.23 0.52 -1.26 -4.75 118.95 117.15 1x57 s ARG 70 Ca 0.05 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1x57 s ARG 70 Cb 0.03 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.57 1x57 s ARG 70 CO 0.04 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1x57 n GLY 71 N -0.07 -2.38 0.00 -3.53 0.00 -1.26 -3.85 105.19 94.10 1x57 n GLY 71 Ca -0.08 -1.37 0.10 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.87 0.18 0.00 1.61 5.02 -1.26 -2.00 118.16 118.85 1x57 n LYS 72 Ca -0.02 0.12 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1x57 n LYS 72 Cb 0.18 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.37 0.00 -4.59 4.39 8.00 -1.26 -4.91 116.55 116.80 1x57 n ASP 73 Ca 0.08 -0.64 -0.43 0.00 0.71 0.00 0.00 54.79 54.51 1x57 n ASP 73 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x57 n ILE 74 N -0.65 2.20 -0.86 0.53 3.06 -0.84 -1.42 119.36 121.37 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 0.01 -1.07 0.00 0.00 0.54 0.00 0.00 39.64 39.13 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 1.23 0.46 3.85 4.50 0.00 -0.27 -4.93 105.19 110.02 1x57 n GLY 75 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.60 3.88 0.72 1.61 -0.14 -0.51 -4.80 119.74 119.89 1x57 s LYS 76 Ca 0.00 0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 55.31 1x57 s LYS 76 Cb 0.00 -2.19 0.03 0.00 -1.68 0.00 0.00 37.83 33.99 1x57 s LYS 76 CO 0.00 -0.24 1.09 -1.25 -0.76 0.00 0.00 175.35 174.18 1x57 s PRO 77 N -4.13 2.59 -0.01 -1.68 0.04 -1.26 -0.32 135.00 130.23 1x57 s PRO 77 Ca 0.57 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 1x57 s PRO 77 Cb -0.10 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1x57 s PRO 77 CO 0.33 -1.39 0.16 0.96 0.04 0.00 0.00 177.00 177.10 1x57 s ILE 78 N -2.74 5.28 -0.24 0.56 -4.36 -1.23 -4.57 121.20 113.90 1x57 s ILE 78 Ca 0.62 -0.21 -0.06 0.00 -0.26 0.00 0.00 60.65 60.74 1x57 s ILE 78 Cb -0.17 -3.46 0.01 0.00 1.25 0.00 0.00 42.46 40.09 1x57 s ILE 78 CO 0.50 0.33 0.12 -1.84 0.24 0.00 0.00 174.94 174.29 1x57 n GLU 79 N 1.00 -0.91 -0.33 0.37 0.28 -1.26 -4.78 120.64 115.01 1x57 n GLU 79 Ca -0.11 -0.37 -0.04 0.00 -0.16 0.00 0.00 57.16 56.47 1x57 n GLU 79 Cb 0.53 0.20 0.08 0.00 1.43 0.00 0.00 31.44 33.68 1x57 n GLU 79 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1x57 h LYS 80 N 1.86 1.24 -4.46 3.44 3.64 -1.93 -3.44 116.57 116.92 1x57 h LYS 80 Ca -0.14 -0.15 -0.24 0.00 -1.27 0.00 0.00 60.65 58.85 1x57 h LYS 80 Cb 0.27 -0.24 -0.14 0.00 -0.41 0.00 0.00 32.23 31.71 1x57 h LYS 80 CO 0.10 0.91 -0.51 0.20 -2.27 0.00 0.00 179.45 177.88 1x57 s GLY 81 N -3.23 1.40 -0.50 5.01 0.00 -1.26 -5.10 107.32 103.64 1x57 s GLY 81 Ca -0.13 -1.61 -0.26 0.00 0.00 0.00 0.00 44.72 42.72 1x57 s GLY 81 CO 0.83 -1.27 2.19 2.56 0.00 0.00 0.00 173.10 177.40 1x57 s PRO 82 N -4.01 2.40 2.90 2.90 0.04 -1.26 -4.72 135.00 133.25 1x57 s PRO 82 Ca 0.36 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1x57 s PRO 82 Cb 0.05 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1x57 s PRO 82 CO 0.14 -2.95 0.00 0.54 0.04 0.00 0.00 177.00 174.77 1x57 n ARG 83 N 9.02 0.00 -1.62 4.56 1.74 -1.26 -4.86 116.66 124.23 1x57 n ARG 83 Ca 0.30 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.36 1x57 n ARG 83 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x57 n ALA 84 N 10.88 -1.09 -0.06 7.54 0.00 -1.26 -4.80 120.51 131.72 1x57 n ALA 84 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1x57 n ALA 84 Cb 0.00 -0.11 0.51 0.00 0.00 0.00 0.00 19.45 19.85 1x57 n ALA 84 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x57 h LYS 85 N 0.39 0.37 -4.02 0.00 3.64 -1.93 -3.44 116.57 111.59 1x57 h LYS 85 Ca -0.04 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.13 1x57 h LYS 85 Cb 0.09 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1x57 h LYS 85 CO 0.02 0.25 -0.23 -1.54 -2.27 0.00 0.00 179.45 175.68 1x57 s SER 86 N -6.32 0.42 0.00 4.20 1.04 -1.26 -5.04 113.70 106.74 1x57 s SER 86 Ca -0.07 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1x57 s SER 86 Cb 0.19 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1x57 s SER 86 CO 0.74 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1x57 n GLY 87 N -0.45 0.16 3.72 7.32 0.00 -1.26 -5.05 105.19 109.63 1x57 n GLY 87 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.74 1.44 0.15 1.61 0.04 -1.26 -4.97 135.00 127.28 1x57 s PRO 88 Ca 0.00 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1x57 s PRO 88 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1x57 s PRO 88 CO 0.00 -2.16 0.00 -1.13 0.04 0.00 0.00 177.00 173.75 1x57 n SER 89 N -3.85 -1.23 -4.73 6.66 3.41 -1.26 -5.06 113.62 107.56 1x57 n SER 89 Ca 0.08 0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 58.57 1x57 n SER 89 Cb 0.54 1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 65.87 1x57 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x57 s SER 90 N -1.87 7.47 0.00 4.04 0.15 -1.26 -5.33 113.70 116.90 1x57 s SER 90 Ca 0.00 1.76 0.13 0.00 0.70 0.00 0.00 55.95 58.54 1x57 s SER 90 Cb 0.00 -2.57 0.80 0.00 -1.71 0.00 0.00 66.02 62.54 1x57 s SER 90 CO 0.00 -0.05 1.23 0.61 1.20 0.00 0.00 173.24 176.23