#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 -0.14 0.00 1.61 0.01 -1.26 -5.07 113.70 108.85 1x57 s SER 2 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1x57 s SER 2 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1x57 s SER 2 CO 0.00 -0.82 0.09 -0.24 0.41 0.00 0.00 173.24 172.68 1x57 n SER 3 N -0.18 0.00 -0.28 2.44 2.88 -1.26 -5.06 113.62 112.16 1x57 n SER 3 Ca -0.16 -1.00 0.02 0.00 -1.33 0.00 0.00 58.87 56.40 1x57 n SER 3 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.09 1x57 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x57 n GLY 4 N 0.00 -1.99 0.89 0.46 0.00 -1.26 -4.88 105.19 98.41 1x57 n GLY 4 Ca 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 1x57 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x57 n SER 5 N -0.73 -0.41 -3.93 1.61 3.41 -1.26 -5.13 113.62 107.19 1x57 n SER 5 Ca 0.00 -1.72 -0.22 0.00 -0.26 0.00 0.00 58.87 56.67 1x57 n SER 5 Cb 0.07 0.11 -0.17 0.00 -0.26 0.00 0.00 64.21 63.96 1x57 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x57 s SER 6 N -0.85 1.35 0.00 4.04 0.01 -1.26 -5.12 113.70 111.87 1x57 s SER 6 Ca 0.04 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1x57 s SER 6 Cb 0.05 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1x57 s SER 6 CO -0.02 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1x57 n GLY 7 N 4.12 0.50 3.62 3.44 0.00 -1.26 -4.99 105.19 110.63 1x57 n GLY 7 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -5.58 -3.93 1.61 8.00 -1.26 -5.00 116.55 110.39 1x57 n ASP 8 Ca 0.00 -0.77 -0.09 0.00 0.71 0.00 0.00 54.79 54.64 1x57 n ASP 8 Cb 0.00 -2.67 -0.07 0.00 -0.02 0.00 0.00 41.12 38.35 1x57 n ASP 8 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1x57 s ARG 9 N -4.65 1.06 0.92 -1.24 6.06 -1.26 -5.16 118.95 114.69 1x57 s ARG 9 Ca 0.05 -1.12 -0.11 0.00 -2.50 0.00 0.00 55.73 52.05 1x57 s ARG 9 Cb -0.02 0.36 0.15 0.00 0.06 0.00 0.00 34.95 35.50 1x57 s ARG 9 CO 0.86 -0.38 1.10 0.14 -2.50 0.00 0.00 175.30 174.52 1x57 s VAL 10 N -3.94 2.51 -0.41 7.11 -7.23 -1.26 -5.05 120.40 112.14 1x57 s VAL 10 Ca 0.14 0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1x57 s VAL 10 Cb 0.04 -2.45 0.13 0.00 0.56 0.00 0.00 36.38 34.66 1x57 s VAL 10 CO -0.03 -0.22 0.22 0.42 -0.31 0.00 0.00 175.10 175.18 1x57 s THR 11 N -2.77 1.11 0.64 5.32 -4.23 -1.26 -4.92 115.64 109.53 1x57 s THR 11 Ca 0.65 -2.26 -0.18 0.00 -1.18 0.00 0.00 61.69 58.72 1x57 s THR 11 Cb -0.20 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 1x57 s THR 11 CO 0.58 -0.89 1.26 -0.76 -0.54 0.00 0.00 174.62 174.28 1x57 s LEU 12 N 0.64 3.57 0.21 4.79 1.02 -1.26 -4.76 118.68 122.89 1x57 s LEU 12 Ca 0.17 2.54 -0.10 0.00 0.02 0.00 0.00 54.13 56.75 1x57 s LEU 12 Cb -0.23 -4.61 0.20 0.00 0.02 0.00 0.00 46.19 41.57 1x57 s LEU 12 CO -0.02 -1.92 1.83 -0.33 0.02 0.00 0.00 176.35 175.92 1x57 h GLU 13 N 0.55 0.75 0.14 1.70 5.08 -1.98 0.52 114.58 121.33 1x57 h GLU 13 Ca -0.50 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1x57 h GLU 13 Cb 1.32 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1x57 h GLU 13 CO 0.53 0.50 -0.23 0.28 -1.00 0.00 0.00 179.01 179.09 1x57 h VAL 14 N 0.77 0.50 -0.99 3.13 2.07 -1.91 -0.34 116.25 119.48 1x57 h VAL 14 Ca 0.28 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.88 1x57 h VAL 14 Cb 0.09 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1x57 h VAL 14 CO -0.14 0.00 0.64 1.23 0.02 0.00 0.00 177.57 179.32 1x57 h GLY 15 N -0.43 1.52 0.83 2.17 0.00 -1.41 0.13 103.07 105.87 1x57 h GLY 15 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1x57 h GLY 15 CO -0.11 0.29 -0.22 1.70 0.00 0.00 0.00 176.54 178.20 1x57 h LYS 16 N 1.11 -0.59 -0.87 4.80 1.63 -0.61 -1.66 116.57 120.37 1x57 h LYS 16 Ca 0.44 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.32 1x57 h LYS 16 Cb 0.26 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1x57 h LYS 16 CO -0.19 -0.31 0.57 0.28 -3.45 0.00 0.00 179.45 176.36 1x57 h VAL 17 N -0.79 1.14 0.83 2.00 2.07 -0.66 -0.82 116.25 120.02 1x57 h VAL 17 Ca -0.06 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1x57 h VAL 17 Cb 0.55 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1x57 h VAL 17 CO 0.10 0.20 -0.47 0.40 0.02 0.00 0.00 177.57 177.82 1x57 h ILE 18 N 1.09 0.05 -0.63 4.57 2.04 -0.72 0.45 117.51 124.35 1x57 h ILE 18 Ca 0.35 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.19 1x57 h ILE 18 Cb 0.03 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1x57 h ILE 18 CO -0.11 0.00 0.30 -0.61 0.00 0.00 0.00 178.15 177.74 1x57 h GLN 19 N -1.21 0.90 0.39 2.37 4.15 -0.86 0.09 115.11 120.93 1x57 h GLN 19 Ca -0.11 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 1x57 h GLN 19 Cb 0.96 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1x57 h GLN 19 CO 0.14 0.70 -0.19 1.96 -1.93 0.00 0.00 178.83 179.51 1x57 h GLN 20 N 0.90 -0.50 -0.46 1.69 1.08 -1.12 -2.74 115.11 113.96 1x57 h GLN 20 Ca 0.22 0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.37 1x57 h GLN 20 Cb 0.10 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1x57 h GLN 20 CO -0.03 -0.31 -0.04 0.78 -0.95 0.00 0.00 178.83 178.28 1x57 h GLY 21 N -0.57 0.85 0.65 3.46 0.00 -0.22 0.48 103.07 107.72 1x57 h GLY 21 Ca -0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1x57 h GLY 21 CO 0.09 0.55 -0.44 3.21 0.00 0.00 0.00 176.54 179.95 1x57 h ARG 22 N 0.73 -0.99 0.00 4.80 3.08 -1.06 -3.05 114.38 117.89 1x57 h ARG 22 Ca 0.14 0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1x57 h ARG 22 Cb 0.50 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1x57 h ARG 22 CO 0.03 -0.66 -0.04 1.96 -1.07 0.00 0.00 179.97 180.19 1x57 h GLN 23 N -1.03 0.00 0.00 0.04 1.08 -1.27 -0.11 115.11 113.82 1x57 h GLN 23 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1x57 h GLN 23 Cb 0.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1x57 h GLN 23 CO 0.06 0.04 0.00 0.43 -0.95 0.00 0.00 178.83 178.41 1x57 n SER 24 N -4.48 0.39 0.00 1.46 7.64 0.14 -0.66 113.62 118.10 1x57 n SER 24 Ca -0.03 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1x57 n SER 24 Cb 0.12 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x57 n LYS 25 N -1.97 2.32 -1.99 1.43 5.02 -0.58 -5.00 118.16 117.39 1x57 n LYS 25 Ca 0.01 -1.30 -0.21 0.00 -2.02 0.00 0.00 58.31 54.79 1x57 n LYS 25 Cb 0.12 -0.96 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.40 0.78 3.80 0.72 0.00 0.16 -4.97 105.19 105.28 1x57 n GLY 26 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.36 4.55 0.71 0.99 1.43 -0.16 -4.91 118.68 115.92 1x57 s LEU 27 Ca 0.00 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 1x57 s LEU 27 Cb 0.00 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1x57 s LEU 27 CO 0.00 0.25 1.09 0.28 0.23 0.00 0.00 176.35 178.20 1x57 s THR 28 N -1.10 3.62 0.24 5.49 -1.32 -1.26 -4.36 115.64 116.94 1x57 s THR 28 Ca 0.31 0.52 -0.06 0.00 -1.21 0.00 0.00 61.69 61.25 1x57 s THR 28 Cb -0.21 -3.46 0.23 0.00 -1.51 0.00 0.00 72.50 67.55 1x57 s THR 28 CO 0.21 -0.69 1.90 1.56 -2.21 0.00 0.00 174.62 175.40 1x57 h GLN 29 N -0.69 1.17 -0.44 7.08 4.20 -1.98 -2.00 115.11 122.45 1x57 h GLN 29 Ca -0.45 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 1x57 h GLN 29 Cb 1.24 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1x57 h GLN 29 CO 0.62 0.77 0.21 -0.22 -0.67 0.00 0.00 178.83 179.55 1x57 h LYS 30 N 1.21 0.62 -0.35 1.46 3.11 -1.93 -1.82 116.57 118.86 1x57 h LYS 30 Ca 0.36 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 58.02 1x57 h LYS 30 Cb -0.06 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.04 1x57 h LYS 30 CO -0.10 0.48 -0.21 -0.44 -2.81 0.00 0.00 179.45 176.37 1x57 h ASP 31 N 0.62 0.69 -0.23 4.20 3.32 -1.74 -2.76 116.42 120.51 1x57 h ASP 31 Ca 0.16 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1x57 h ASP 31 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1x57 h ASP 31 CO -0.02 0.89 0.10 0.25 -1.72 0.00 0.00 179.24 178.74 1x57 h LEU 32 N 0.60 0.31 -0.25 1.55 7.12 -0.98 -0.65 115.31 123.01 1x57 h LEU 32 Ca 0.09 -0.14 0.06 0.00 0.13 0.00 0.00 57.88 58.02 1x57 h LEU 32 Cb 0.69 -0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.66 1x57 h LEU 32 CO 0.05 0.37 -0.25 0.00 -0.13 0.00 0.00 178.44 178.48 1x57 h ALA 33 N 0.96 -0.14 -0.13 1.25 0.00 -1.27 -0.93 119.26 118.99 1x57 h ALA 33 Ca 0.08 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1x57 h ALA 33 Cb 0.15 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1x57 h ALA 33 CO -0.01 -0.68 0.00 1.15 0.00 0.00 0.00 179.25 179.72 1x57 h THR 34 N -0.25 0.91 -0.01 0.00 2.02 -1.38 0.76 112.91 114.95 1x57 h THR 34 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1x57 h THR 34 Cb 0.47 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1x57 h THR 34 CO -0.40 0.01 0.13 0.11 0.37 0.00 0.00 175.52 175.74 1x57 h LYS 35 N 0.05 0.00 -0.07 6.66 1.57 0.19 -0.63 116.57 124.34 1x57 h LYS 35 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x57 h LYS 35 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1x57 h LYS 35 CO -0.10 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.22 1x57 n ILE 36 N -3.08 0.52 -3.65 1.86 -5.35 -0.65 -4.81 119.36 104.19 1x57 n ILE 36 Ca -0.02 -0.76 -0.26 0.00 -0.27 0.00 0.00 62.75 61.44 1x57 n ILE 36 Cb 0.19 0.78 0.02 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 0.04 -5.51 -3.86 7.28 5.15 -0.11 -5.03 115.26 113.23 1x57 n ASN 37 Ca 0.03 -0.88 -0.17 0.00 -0.60 0.00 0.00 54.58 52.96 1x57 n ASN 37 Cb 0.21 -3.06 -0.09 0.00 -0.53 0.00 0.00 39.78 36.31 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 -5.35 1.56 0.35 1.20 0.41 0.07 -5.01 118.70 111.92 1x57 s GLU 38 Ca 0.27 -1.88 -0.27 0.00 -0.41 0.00 0.00 54.97 52.68 1x57 s GLU 38 Cb -0.11 0.10 -0.09 0.00 -1.78 0.00 0.00 34.13 32.25 1x57 s GLU 38 CO 0.86 -0.50 1.10 0.15 -0.49 0.00 0.00 175.26 176.39 1x57 s LYS 39 N -3.79 4.34 0.12 1.61 -0.14 -1.26 -4.23 119.74 116.38 1x57 s LYS 39 Ca 0.38 1.71 0.21 0.00 -1.36 0.00 0.00 55.97 56.90 1x57 s LYS 39 Cb 0.05 -2.84 0.84 0.00 -1.68 0.00 0.00 37.83 34.20 1x57 s LYS 39 CO 0.19 -0.04 1.64 -0.35 -0.76 0.00 0.00 175.35 176.03 1x57 n PRO 40 N 0.48 0.10 0.15 -1.68 -0.04 -1.26 -2.33 135.00 130.41 1x57 n PRO 40 Ca 0.02 0.29 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1x57 n PRO 40 Cb 0.47 -1.67 0.18 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.00 -0.01 0.54 5.75 -1.95 -2.76 115.11 116.69 1x57 h GLN 41 Ca 0.00 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.29 1x57 h GLN 41 Cb 0.37 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 1x57 h GLN 41 CO 0.00 0.57 -0.89 -0.39 -2.65 0.00 0.00 178.83 175.47 1x57 h VAL 42 N 0.00 1.44 0.28 2.39 -1.51 -1.87 -2.90 116.25 114.08 1x57 h VAL 42 Ca -0.01 -2.49 -0.01 0.00 -1.23 0.00 0.00 66.70 62.96 1x57 h VAL 42 Cb 1.13 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.70 1x57 h VAL 42 CO 0.07 0.74 -0.13 0.40 -1.23 0.00 0.00 177.57 177.42 1x57 h ILE 43 N 0.18 0.73 -0.16 7.19 1.08 -1.61 0.16 117.51 125.08 1x57 h ILE 43 Ca -0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1x57 h ILE 43 Cb 1.51 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1x57 h ILE 43 CO 0.15 0.00 0.02 0.00 -0.69 0.00 0.00 178.15 177.62 1x57 h ALA 44 N 0.36 1.74 0.10 1.87 0.00 -1.57 -2.23 119.26 119.52 1x57 h ALA 44 Ca -0.04 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 1x57 h ALA 44 Cb 0.29 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1x57 h ALA 44 CO 0.06 0.21 -1.16 -0.44 0.00 0.00 0.00 179.25 177.91 1x57 h ASP 45 N 0.23 0.55 -0.50 0.00 5.19 -1.24 -3.01 116.42 117.64 1x57 h ASP 45 Ca 0.06 -0.53 0.07 0.00 -0.62 0.00 0.00 57.03 56.01 1x57 h ASP 45 Cb 0.13 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.40 1x57 h ASP 45 CO 0.00 1.37 0.16 1.88 -3.12 0.00 0.00 179.24 179.53 1x57 h TYR 46 N 0.16 0.28 -0.16 4.55 0.05 -0.12 0.18 116.97 121.91 1x57 h TYR 46 Ca -0.13 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.68 1x57 h TYR 46 Cb 1.85 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 39.53 1x57 h TYR 46 CO 0.07 0.07 0.09 0.93 -1.05 0.00 0.00 178.16 178.27 1x57 h GLU 47 N 0.32 0.18 0.00 4.88 5.08 -1.47 -2.66 114.58 120.91 1x57 h GLU 47 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1x57 h GLU 47 Cb 0.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1x57 h GLU 47 CO -0.27 0.12 0.00 1.03 -1.00 0.00 0.00 179.01 178.89 1x57 h SER 48 N 0.19 0.00 0.00 1.42 0.87 -1.33 -3.41 113.55 111.29 1x57 h SER 48 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1x57 h SER 48 Cb -0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1x57 h SER 48 CO -0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.88 1x57 n GLY 49 N 0.33 0.66 0.11 5.77 0.00 0.31 -4.84 105.19 107.53 1x57 n GLY 49 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1x57 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x57 h ARG 50 N 2.87 -0.16 -6.56 1.61 2.47 -1.02 -3.45 114.38 110.15 1x57 h ARG 50 Ca 0.00 0.01 -0.55 0.00 -1.26 0.00 0.00 59.98 58.18 1x57 h ARG 50 Cb 0.00 0.04 0.06 0.00 -1.65 0.00 0.00 29.97 28.41 1x57 h ARG 50 CO 0.00 0.32 0.92 0.00 0.56 0.00 0.00 179.97 181.77 1x57 n ALA 51 N -2.49 2.02 -2.17 0.04 0.00 -1.20 -4.92 120.51 111.80 1x57 n ALA 51 Ca -0.08 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.34 1x57 n ALA 51 Cb 0.27 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 1x57 n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x57 s ILE 52 N 1.29 3.84 -0.38 0.00 -1.09 -1.26 -4.75 121.20 118.85 1x57 s ILE 52 Ca 0.78 1.03 -0.26 0.00 -2.23 0.00 0.00 60.65 59.97 1x57 s ILE 52 Cb -0.59 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1x57 s ILE 52 CO 0.36 -0.09 0.92 -2.16 -1.23 0.00 0.00 174.94 172.74 1x57 s PRO 53 N 3.81 3.78 0.26 2.79 0.04 -1.26 -5.02 135.00 139.40 1x57 s PRO 53 Ca 0.66 0.49 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 1x57 s PRO 53 Cb -0.29 -3.82 -0.09 0.00 0.04 0.00 0.00 34.50 30.34 1x57 s PRO 53 CO 0.24 -0.99 0.89 -0.80 0.04 0.00 0.00 177.00 176.38 1x57 s ASN 54 N 1.95 7.43 0.31 6.66 -0.87 -1.26 -4.90 114.94 124.26 1x57 s ASN 54 Ca 0.38 1.80 0.03 0.00 -1.57 0.00 0.00 52.86 53.50 1x57 s ASN 54 Cb -0.12 -2.56 0.63 0.00 -0.02 0.00 0.00 41.25 39.18 1x57 s ASN 54 CO 0.20 0.07 1.88 -1.13 -2.57 0.00 0.00 177.10 175.54 1x57 h ASN 55 N 3.73 0.84 0.05 -1.22 -1.24 -1.98 0.11 115.58 115.87 1x57 h ASN 55 Ca -0.46 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 56.57 1x57 h ASN 55 Cb 1.20 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1x57 h ASN 55 CO 0.66 0.48 -0.02 1.56 -1.29 0.00 0.00 177.43 178.81 1x57 h GLN 56 N 0.91 -0.06 -0.47 6.67 7.50 -1.98 -1.87 115.11 125.82 1x57 h GLN 56 Ca 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.55 1x57 h GLN 56 Cb 0.44 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 1x57 h GLN 56 CO -0.20 0.29 0.12 0.28 -1.50 0.00 0.00 178.83 177.82 1x57 h VAL 57 N -0.43 1.23 -0.68 -0.54 2.07 -1.71 -0.27 116.25 115.93 1x57 h VAL 57 Ca -0.01 -0.80 0.13 0.00 0.82 0.00 0.00 66.70 66.84 1x57 h VAL 57 Cb 0.38 0.87 -0.13 0.00 -1.52 0.00 0.00 31.29 30.89 1x57 h VAL 57 CO 0.01 0.29 -0.26 -0.07 0.02 0.00 0.00 177.57 177.56 1x57 h LEU 58 N 0.62 -0.92 -1.74 2.57 3.38 -0.90 0.27 115.31 118.60 1x57 h LEU 58 Ca 0.15 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1x57 h LEU 58 Cb 0.31 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1x57 h LEU 58 CO -0.00 -0.27 0.18 1.23 0.09 0.00 0.00 178.44 179.67 1x57 h GLY 59 N -0.07 0.38 0.56 0.83 0.00 -0.24 -0.53 103.07 104.00 1x57 h GLY 59 Ca 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 1x57 h GLY 59 CO -0.73 0.14 -0.11 0.50 0.00 0.00 0.00 176.54 176.33 1x57 h LYS 60 N 0.36 0.17 -0.82 4.80 1.57 0.30 -3.18 116.57 119.78 1x57 h LYS 60 Ca 0.10 -0.11 0.13 0.00 -1.87 0.00 0.00 60.65 58.90 1x57 h LYS 60 Cb -0.04 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1x57 h LYS 60 CO -0.02 0.71 0.53 0.82 -0.57 0.00 0.00 179.45 180.92 1x57 h ILE 61 N -0.35 0.86 -0.12 1.86 2.04 -0.46 -1.26 117.51 120.09 1x57 h ILE 61 Ca 0.00 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1x57 h ILE 61 Cb 0.71 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1x57 h ILE 61 CO 0.03 0.11 -0.08 -0.33 0.00 0.00 0.00 178.15 177.87 1x57 h GLU 62 N 0.62 -0.09 0.00 2.37 5.08 -1.09 -1.38 114.58 120.09 1x57 h GLU 62 Ca 0.40 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1x57 h GLU 62 Cb 0.67 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1x57 h GLU 62 CO -0.16 -0.06 -0.14 0.00 -1.00 0.00 0.00 179.01 177.66 1x57 h ARG 63 N -0.09 0.00 -0.27 2.33 3.08 -1.28 0.36 114.38 118.52 1x57 h ARG 63 Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1x57 h ARG 63 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1x57 h ARG 63 CO -0.18 0.14 -0.13 0.00 -1.07 0.00 0.00 179.97 178.74 1x57 h ALA 64 N 1.86 1.29 0.00 0.04 0.00 -0.38 -3.28 119.26 118.80 1x57 h ALA 64 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1x57 h ALA 64 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1x57 h ALA 64 CO 0.02 0.47 -0.31 0.44 0.00 0.00 0.00 179.25 179.87 1x57 n ILE 65 N -4.21 0.00 -2.73 0.00 -5.35 -1.05 -4.97 119.36 101.05 1x57 n ILE 65 Ca 0.00 -0.37 -0.11 0.00 -0.27 0.00 0.00 62.75 62.00 1x57 n ILE 65 Cb 0.31 0.90 0.02 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 1.29 0.10 3.24 3.28 0.00 0.12 -4.97 105.19 108.26 1x57 n GLY 66 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.73 2.09 0.34 0.99 1.43 -1.05 -3.27 118.68 115.48 1x57 s LEU 67 Ca 0.18 -1.18 -0.28 0.00 -1.03 0.00 0.00 54.13 51.82 1x57 s LEU 67 Cb -0.08 -0.05 -0.09 0.00 0.03 0.00 0.00 46.19 46.00 1x57 s LEU 67 CO 0.23 -0.58 1.21 -0.54 0.23 0.00 0.00 176.35 176.90 1x57 s LYS 68 N -3.92 4.33 0.00 1.70 1.02 0.12 -4.29 119.74 118.70 1x57 s LYS 68 Ca 0.24 1.99 0.02 0.00 0.02 0.00 0.00 55.97 58.24 1x57 s LYS 68 Cb 0.06 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1x57 s LYS 68 CO 0.04 -0.12 0.85 1.28 -0.92 0.00 0.00 175.35 176.48 1x57 n LEU 69 N 0.67 1.75 -4.14 3.17 7.99 -1.26 -1.23 117.00 123.95 1x57 n LEU 69 Ca 0.01 -1.61 -0.09 0.00 -0.01 0.00 0.00 56.01 54.31 1x57 n LEU 69 Cb 0.44 -0.02 -0.10 0.00 -0.11 0.00 0.00 43.42 43.63 1x57 n LEU 69 CO 0.55 0.43 -0.34 -0.13 -1.51 0.00 0.00 177.39 176.39 1x57 s ARG 70 N -0.66 0.80 0.31 3.23 0.52 -1.26 -4.86 118.95 117.03 1x57 s ARG 70 Ca 0.03 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1x57 s ARG 70 Cb 0.02 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1x57 s ARG 70 CO 0.02 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1x57 n GLY 71 N -0.02 -2.36 0.16 -3.53 0.00 -1.26 -3.98 105.19 94.21 1x57 n GLY 71 Ca -0.10 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.81 1x57 n GLY 71 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x57 h LYS 72 N -0.90 0.00 -0.33 1.61 3.64 -2.01 -3.00 116.57 115.57 1x57 h LYS 72 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1x57 h LYS 72 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1x57 h LYS 72 CO 0.03 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.96 1x57 n ASP 73 N -2.41 0.33 -4.65 4.20 8.00 -1.26 -4.89 116.55 115.87 1x57 n ASP 73 Ca 0.02 -0.99 -0.39 0.00 0.71 0.00 0.00 54.79 54.13 1x57 n ASP 73 Cb 0.23 -0.17 0.04 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.01 3.29 -0.75 0.53 3.06 -1.14 -2.19 119.36 122.18 1x57 n ILE 74 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1x57 n ILE 74 Cb 0.08 -1.30 0.00 0.00 0.54 0.00 0.00 39.64 38.96 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 1.10 0.94 3.85 4.50 0.00 -0.37 -4.95 105.19 110.26 1x57 n GLY 75 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.23 3.96 0.80 1.61 -0.14 -0.93 -4.79 119.74 120.03 1x57 s LYS 76 Ca 0.00 0.65 -0.11 0.00 -1.36 0.00 0.00 55.97 55.15 1x57 s LYS 76 Cb 0.00 -2.41 0.08 0.00 -1.68 0.00 0.00 37.83 33.82 1x57 s LYS 76 CO 0.00 0.10 1.09 -1.25 -0.76 0.00 0.00 175.35 174.53 1x57 s PRO 77 N -3.18 2.00 0.25 -1.68 0.04 -1.26 0.16 135.00 131.32 1x57 s PRO 77 Ca 0.54 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.71 1x57 s PRO 77 Cb -0.10 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1x57 s PRO 77 CO 0.20 -1.78 -0.02 0.96 0.04 0.00 0.00 177.00 176.40 1x57 s ILE 78 N -2.93 3.42 0.28 0.56 -4.36 -1.20 -4.58 121.20 112.38 1x57 s ILE 78 Ca 0.62 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 1x57 s ILE 78 Cb -0.17 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.74 1x57 s ILE 78 CO 0.56 -0.32 0.00 -0.62 0.24 0.00 0.00 174.94 174.80 1x57 n GLU 79 N -0.71 -2.39 -2.09 0.37 -0.58 -1.26 -4.72 120.64 109.26 1x57 n GLU 79 Ca -0.07 1.58 -0.42 0.00 -0.42 0.00 0.00 57.16 57.83 1x57 n GLU 79 Cb 0.58 -2.92 -0.03 0.00 -0.57 0.00 0.00 31.44 28.50 1x57 n GLU 79 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x57 s LYS 80 N -1.84 4.27 0.22 3.49 1.02 -1.26 -5.00 119.74 120.64 1x57 s LYS 80 Ca 0.00 2.16 -0.22 0.00 0.02 0.00 0.00 55.97 57.93 1x57 s LYS 80 Cb 0.00 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1x57 s LYS 80 CO 0.00 -0.55 0.70 0.20 -0.92 0.00 0.00 175.35 174.78 1x57 s GLY 81 N 1.48 -0.30 -0.03 -3.33 0.00 -1.26 -5.14 107.32 98.74 1x57 s GLY 81 Ca 0.67 0.06 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 1x57 s GLY 81 CO 0.30 0.02 1.45 2.56 0.00 0.00 0.00 173.10 177.44 1x57 s PRO 82 N -3.78 4.25 0.00 2.90 0.04 -1.26 -4.78 135.00 132.37 1x57 s PRO 82 Ca 0.07 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1x57 s PRO 82 Cb -0.04 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1x57 s PRO 82 CO -0.01 -0.66 0.00 2.89 0.04 0.00 0.00 177.00 179.26 1x57 n ARG 83 N 5.92 0.00 -0.64 4.56 1.85 -1.26 -5.13 116.66 121.96 1x57 n ARG 83 Ca 0.14 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 57.08 1x57 n ARG 83 Cb 0.43 -0.02 -0.02 0.00 -1.05 0.00 0.00 32.46 31.80 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x57 n ALA 84 N -2.39 -2.07 -2.00 2.89 0.00 -1.26 -4.96 120.51 110.73 1x57 n ALA 84 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 1x57 n ALA 84 Cb 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1x57 n ALA 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x57 n LYS 85 N -2.44 -0.61 -2.94 0.00 4.76 -1.26 -5.01 118.16 110.66 1x57 n LYS 85 Ca 0.00 0.54 -0.08 0.00 -2.87 0.00 0.00 58.31 55.90 1x57 n LYS 85 Cb 0.29 -0.74 -0.02 0.00 -1.84 0.00 0.00 35.03 32.72 1x57 n LYS 85 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x57 n SER 86 N 0.80 -0.62 -4.74 4.39 7.64 -1.26 -5.16 113.62 114.68 1x57 n SER 86 Ca -0.03 -2.05 -0.34 0.00 1.01 0.00 0.00 58.87 57.47 1x57 n SER 86 Cb 0.28 1.21 0.08 0.00 -1.01 0.00 0.00 64.21 64.77 1x57 n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x57 s GLY 87 N -2.17 2.23 0.71 0.23 0.00 -1.26 -4.99 107.32 102.07 1x57 s GLY 87 Ca 0.17 0.73 -0.15 0.00 0.00 0.00 0.00 44.72 45.48 1x57 s GLY 87 CO 0.12 1.12 1.17 2.56 0.00 0.00 0.00 173.10 178.07 1x57 s PRO 88 N -4.03 2.33 -0.26 2.90 0.04 -1.26 -5.05 135.00 129.67 1x57 s PRO 88 Ca 0.71 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 63.13 1x57 s PRO 88 Cb -0.25 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1x57 s PRO 88 CO 0.45 -1.66 0.70 -1.12 0.04 0.00 0.00 177.00 175.41 1x57 s SER 89 N -2.26 -0.75 1.23 6.66 0.01 -1.26 -5.17 113.70 112.16 1x57 s SER 89 Ca 0.71 1.42 -0.15 0.00 1.31 0.00 0.00 55.95 59.24 1x57 s SER 89 Cb -0.26 1.42 0.31 0.00 0.21 0.00 0.00 66.02 67.71 1x57 s SER 89 CO 0.44 -0.24 1.00 -0.44 0.41 0.00 0.00 173.24 174.41 1x57 s SER 90 N 0.51 0.44 0.00 2.44 0.01 -1.26 -5.26 113.70 110.58 1x57 s SER 90 Ca -0.01 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.58 1x57 s SER 90 Cb -0.05 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1x57 s SER 90 CO -0.01 -4.51 0.00 0.61 0.41 0.00 0.00 173.24 169.74