#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 0.00 1.61 3.41 -1.26 -5.00 113.62 112.38 1x57 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1x57 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1x57 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x57 n SER 3 N -1.05 0.00 0.00 4.04 2.88 -1.26 -5.14 113.62 113.08 1x57 n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x57 n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.09 0.26 3.14 0.46 0.00 -1.26 -4.97 105.19 102.73 1x57 n GLY 4 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.00 1.04 0.00 1.61 0.15 -1.26 -5.17 113.70 106.06 1x57 s SER 5 Ca 0.00 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.76 1x57 s SER 5 Cb 0.00 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1x57 s SER 5 CO 0.00 -0.41 0.00 -0.24 1.20 0.00 0.00 173.24 173.79 1x57 n SER 6 N 0.33 0.36 -3.95 5.45 2.88 -1.26 -5.19 113.62 112.25 1x57 n SER 6 Ca -0.15 -0.79 -0.10 0.00 -1.33 0.00 0.00 58.87 56.50 1x57 n SER 6 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 1x57 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x57 s GLY 7 N -0.79 0.77 -0.02 0.46 0.00 -1.26 -5.19 107.32 101.30 1x57 s GLY 7 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 44.72 43.42 1x57 s GLY 7 CO 0.00 -0.79 0.49 -0.35 0.00 0.00 0.00 173.10 172.45 1x57 s ASP 8 N -3.06 -0.41 0.05 1.64 2.15 -1.26 -5.17 116.67 110.60 1x57 s ASP 8 Ca 0.26 0.33 -0.00 0.00 0.43 0.00 0.00 52.55 53.57 1x57 s ASP 8 Cb 0.01 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 43.02 1x57 s ASP 8 CO 0.11 -0.56 -0.03 -0.13 -0.17 0.00 0.00 175.17 174.38 1x57 s ARG 9 N -1.51 0.54 -1.62 4.34 1.81 -1.26 -4.83 118.95 116.43 1x57 s ARG 9 Ca -0.11 -1.04 -0.14 0.00 -1.72 0.00 0.00 55.73 52.72 1x57 s ARG 9 Cb -0.02 0.13 0.12 0.00 -0.45 0.00 0.00 34.95 34.72 1x57 s ARG 9 CO 0.05 -0.08 0.75 0.28 -0.68 0.00 0.00 175.30 175.63 1x57 n VAL 10 N 0.57 -1.60 -2.01 3.52 0.31 -1.26 -4.89 118.33 112.97 1x57 n VAL 10 Ca -0.17 -0.10 -0.37 0.00 -0.01 0.00 0.00 64.34 63.69 1x57 n VAL 10 Cb 0.59 -2.08 0.02 0.00 -0.91 0.00 0.00 33.84 31.46 1x57 n VAL 10 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1x57 s THR 11 N -3.42 2.57 0.58 2.52 2.01 -1.26 -4.98 115.64 113.66 1x57 s THR 11 Ca 0.59 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.80 1x57 s THR 11 Cb -0.31 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1x57 s THR 11 CO 0.90 -0.03 0.98 0.18 -0.69 0.00 0.00 174.62 175.96 1x57 n LEU 12 N -1.03 3.60 0.20 4.42 7.99 -1.26 -4.77 117.00 126.15 1x57 n LEU 12 Ca 0.10 0.83 0.09 0.00 -0.01 0.00 0.00 56.01 57.03 1x57 n LEU 12 Cb 0.47 -1.39 0.63 0.00 -0.11 0.00 0.00 43.42 43.02 1x57 n LEU 12 CO 0.48 -1.79 1.09 1.05 -1.51 0.00 0.00 177.39 176.72 1x57 h GLU 13 N 0.63 0.05 0.66 3.23 9.09 -1.99 -0.46 114.58 125.80 1x57 h GLU 13 Ca -0.48 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.90 1x57 h GLU 13 Cb 1.36 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.45 1x57 h GLU 13 CO 0.52 0.03 -0.40 0.28 0.05 0.00 0.00 179.01 179.49 1x57 h VAL 14 N 0.05 0.00 -1.00 -1.06 2.07 -1.90 0.26 116.25 114.67 1x57 h VAL 14 Ca 0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.71 1x57 h VAL 14 Cb 0.12 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.80 1x57 h VAL 14 CO -0.00 0.00 0.62 1.23 0.02 0.00 0.00 177.57 179.43 1x57 h GLY 15 N -0.99 1.69 0.94 2.17 0.00 -1.57 0.67 103.07 105.97 1x57 h GLY 15 Ca -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1x57 h GLY 15 CO 0.10 0.08 -0.37 1.70 0.00 0.00 0.00 176.54 178.05 1x57 h LYS 16 N 0.90 -0.99 -0.70 4.80 1.63 -0.97 -0.40 116.57 120.84 1x57 h LYS 16 Ca 0.52 0.07 0.01 0.00 -0.85 0.00 0.00 60.65 60.40 1x57 h LYS 16 Cb 0.63 0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 32.46 1x57 h LYS 16 CO -0.31 -0.65 0.46 0.28 -3.45 0.00 0.00 179.45 175.79 1x57 h VAL 17 N -1.11 1.18 0.63 2.00 2.07 -0.44 -0.65 116.25 119.93 1x57 h VAL 17 Ca -0.11 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1x57 h VAL 17 Cb 0.80 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1x57 h VAL 17 CO 0.17 0.18 -0.39 0.40 0.02 0.00 0.00 177.57 177.95 1x57 h ILE 18 N 0.95 0.00 -0.95 4.57 2.04 -0.80 -0.01 117.51 123.31 1x57 h ILE 18 Ca 0.26 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.20 1x57 h ILE 18 Cb -0.11 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 35.90 1x57 h ILE 18 CO -0.06 0.00 0.60 -0.61 0.00 0.00 0.00 178.15 178.08 1x57 h GLN 19 N -0.95 1.00 -0.53 2.37 -0.00 -0.57 0.11 115.11 116.54 1x57 h GLN 19 Ca -0.08 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.49 1x57 h GLN 19 Cb 0.76 -0.23 -0.02 0.00 0.00 0.00 0.00 27.48 27.99 1x57 h GLN 19 CO 0.08 0.66 0.27 1.96 0.00 0.00 0.00 178.83 181.81 1x57 h GLN 20 N 1.03 0.76 -0.02 1.69 1.08 -1.10 -1.61 115.11 116.94 1x57 h GLN 20 Ca 0.44 -0.10 -0.19 0.00 -1.45 0.00 0.00 58.65 57.35 1x57 h GLN 20 Cb 0.29 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1x57 h GLN 20 CO -0.21 0.61 -0.82 0.78 -0.95 0.00 0.00 178.83 178.24 1x57 h GLY 21 N 0.72 0.27 0.76 3.46 0.00 0.49 -1.21 103.07 107.57 1x57 h GLY 21 Ca 0.19 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1x57 h GLY 21 CO -0.03 0.39 0.01 3.21 0.00 0.00 0.00 176.54 180.12 1x57 h ARG 22 N 0.15 0.15 -0.66 4.80 3.08 -0.87 -3.02 114.38 118.00 1x57 h ARG 22 Ca -0.04 -0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.09 1x57 h ARG 22 Cb 1.42 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 1x57 h ARG 22 CO 0.13 0.39 0.44 1.96 -1.07 0.00 0.00 179.97 181.82 1x57 h GLN 23 N -0.11 0.39 0.00 0.04 1.08 -1.18 -0.60 115.11 114.73 1x57 h GLN 23 Ca 0.03 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1x57 h GLN 23 Cb 0.32 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1x57 h GLN 23 CO 0.00 0.26 0.00 1.03 -0.95 0.00 0.00 178.83 179.17 1x57 h SER 24 N 0.41 0.00 0.00 1.46 0.87 -1.08 -2.93 113.55 112.27 1x57 h SER 24 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1x57 h SER 24 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1x57 h SER 24 CO -0.09 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.50 1x57 n LYS 25 N -2.94 0.89 -3.99 2.24 5.02 -0.71 -5.02 118.16 113.64 1x57 n LYS 25 Ca -0.01 -0.77 -0.28 0.00 -2.02 0.00 0.00 58.31 55.23 1x57 n LYS 25 Cb 0.15 -0.74 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.17 -0.29 3.54 0.72 0.00 -0.32 -4.96 105.19 103.71 1x57 n GLY 26 Ca 0.00 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -7.04 3.90 1.03 0.99 1.43 -0.65 -5.01 118.68 113.34 1x57 s LEU 27 Ca 0.20 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 1x57 s LEU 27 Cb -0.11 -2.06 0.21 0.00 0.03 0.00 0.00 46.19 44.26 1x57 s LEU 27 CO 0.89 -0.06 1.08 0.28 0.23 0.00 0.00 176.35 178.76 1x57 s THR 28 N 1.71 2.08 0.28 5.49 -1.32 -1.26 -4.67 115.64 117.95 1x57 s THR 28 Ca 0.07 0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.56 1x57 s THR 28 Cb -0.16 -2.43 0.14 0.00 -1.51 0.00 0.00 72.50 68.54 1x57 s THR 28 CO 0.09 -0.03 1.80 1.56 -2.21 0.00 0.00 174.62 175.83 1x57 h GLN 29 N -2.04 0.78 -0.60 7.08 4.20 -1.98 -1.31 115.11 121.23 1x57 h GLN 29 Ca -0.56 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.02 1x57 h GLN 29 Cb 1.33 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.96 1x57 h GLN 29 CO 0.56 0.75 0.33 0.87 -0.67 0.00 0.00 178.83 180.67 1x57 h LYS 30 N 0.74 0.62 -0.41 1.46 1.57 -1.92 0.11 116.57 118.73 1x57 h LYS 30 Ca 0.16 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1x57 h LYS 30 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1x57 h LYS 30 CO 0.01 0.41 0.02 -0.44 -0.57 0.00 0.00 179.45 178.88 1x57 h ASP 31 N 0.64 0.69 0.04 0.86 5.19 -1.64 -1.82 116.42 120.38 1x57 h ASP 31 Ca 0.26 -0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1x57 h ASP 31 Cb 0.13 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1x57 h ASP 31 CO -0.15 0.82 -0.03 0.25 -3.12 0.00 0.00 179.24 177.01 1x57 h LEU 32 N 0.55 -0.06 -0.48 1.55 7.12 -1.18 -0.97 115.31 121.84 1x57 h LEU 32 Ca 0.12 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.22 1x57 h LEU 32 Cb 0.45 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 1x57 h LEU 32 CO 0.02 -0.04 0.01 0.00 -0.13 0.00 0.00 178.44 178.30 1x57 h ALA 33 N 0.89 0.46 -0.20 1.25 0.00 -0.85 -0.24 119.26 120.57 1x57 h ALA 33 Ca -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x57 h ALA 33 Cb 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x57 h ALA 33 CO 0.00 -0.38 0.11 1.15 0.00 0.00 0.00 179.25 180.13 1x57 h THR 34 N 0.13 1.10 -0.98 0.00 2.02 -1.11 0.17 112.91 114.24 1x57 h THR 34 Ca 0.24 -0.27 0.10 0.00 0.77 0.00 0.00 66.41 67.26 1x57 h THR 34 Cb 0.36 0.92 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 1x57 h THR 34 CO -0.39 0.10 0.62 0.11 0.37 0.00 0.00 175.52 176.32 1x57 h LYS 35 N 0.22 1.00 -0.43 6.66 1.57 -0.11 -1.77 116.57 123.71 1x57 h LYS 35 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1x57 h LYS 35 Cb 0.06 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1x57 h LYS 35 CO -0.01 0.66 0.00 0.44 -0.57 0.00 0.00 179.45 179.97 1x57 n ILE 36 N -4.60 0.56 -3.81 1.86 -5.35 -0.21 -4.99 119.36 102.83 1x57 n ILE 36 Ca 0.17 -0.74 -0.32 0.00 -0.27 0.00 0.00 62.75 61.59 1x57 n ILE 36 Cb 0.29 0.79 0.02 0.00 -1.74 0.00 0.00 39.64 39.00 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 1.37 -4.98 -1.82 7.28 5.15 0.08 -5.03 115.26 117.31 1x57 n ASN 37 Ca 0.20 -1.03 -0.07 0.00 -0.60 0.00 0.00 54.58 53.08 1x57 n ASN 37 Cb 0.57 -2.40 -0.03 0.00 -0.53 0.00 0.00 39.78 37.39 1x57 n ASN 37 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1x57 n GLU 38 N -3.81 0.22 -2.95 1.20 1.02 0.37 -5.01 120.64 111.68 1x57 n GLU 38 Ca -0.16 -1.14 -0.34 0.00 -0.02 0.00 0.00 57.16 55.50 1x57 n GLU 38 Cb 0.61 0.90 -0.07 0.00 -0.02 0.00 0.00 31.44 32.86 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x57 s LYS 39 N -2.47 4.23 0.43 3.49 -0.14 -1.26 -4.35 119.74 119.67 1x57 s LYS 39 Ca 0.13 0.99 0.18 0.00 -1.36 0.00 0.00 55.97 55.91 1x57 s LYS 39 Cb 0.01 -2.47 0.99 0.00 -1.68 0.00 0.00 37.83 34.68 1x57 s LYS 39 CO 0.09 0.14 1.92 -1.00 -0.76 0.00 0.00 175.35 175.75 1x57 h PRO 40 N 2.46 0.00 -0.34 -1.68 0.13 -1.90 -3.00 132.00 127.68 1x57 h PRO 40 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1x57 h PRO 40 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1x57 h PRO 40 CO 0.64 0.26 -0.10 0.37 -0.23 0.00 0.00 178.00 178.93 1x57 h GLN 41 N 0.00 0.67 -0.08 0.86 5.75 -1.93 -1.88 115.11 118.50 1x57 h GLN 41 Ca -0.00 -0.26 -0.10 0.00 -0.15 0.00 0.00 58.65 58.14 1x57 h GLN 41 Cb 0.52 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1x57 h GLN 41 CO 0.03 0.85 -0.39 -0.39 -2.65 0.00 0.00 178.83 176.28 1x57 h VAL 42 N 0.45 1.30 -0.12 2.39 -1.51 -1.95 -1.67 116.25 115.13 1x57 h VAL 42 Ca 0.08 -1.43 0.02 0.00 -1.23 0.00 0.00 66.70 64.14 1x57 h VAL 42 Cb 0.61 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.42 1x57 h VAL 42 CO 0.04 0.42 -0.01 0.40 -1.23 0.00 0.00 177.57 177.19 1x57 h ILE 43 N 0.14 0.90 0.00 7.19 1.08 -1.38 0.18 117.51 125.62 1x57 h ILE 43 Ca 0.01 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1x57 h ILE 43 Cb 0.75 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1x57 h ILE 43 CO 0.06 0.00 -0.02 0.00 -0.69 0.00 0.00 178.15 177.51 1x57 h ALA 44 N 1.11 1.27 0.00 1.87 0.00 -0.58 0.09 119.26 123.02 1x57 h ALA 44 Ca 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1x57 h ALA 44 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1x57 h ALA 44 CO -0.11 0.02 -1.03 -0.44 0.00 0.00 0.00 179.25 177.69 1x57 h ASP 45 N 0.00 0.00 0.82 0.00 5.19 -0.44 -3.11 116.42 118.89 1x57 h ASP 45 Ca -0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1x57 h ASP 45 Cb 0.07 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.58 1x57 h ASP 45 CO 0.00 0.65 -0.40 1.88 -3.12 0.00 0.00 179.24 178.26 1x57 h TYR 46 N 0.00 -1.03 -0.83 4.55 0.05 0.13 0.21 116.97 120.06 1x57 h TYR 46 Ca -0.09 -0.02 0.14 0.00 0.05 0.00 0.00 58.73 58.80 1x57 h TYR 46 Cb 1.58 0.34 -0.09 0.00 1.01 0.00 0.00 36.73 39.57 1x57 h TYR 46 CO 0.00 -0.63 0.42 0.93 -1.05 0.00 0.00 178.16 177.83 1x57 h GLU 47 N -1.22 0.60 0.00 4.88 3.07 -1.54 -0.87 114.58 119.51 1x57 h GLU 47 Ca -0.11 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 1x57 h GLU 47 Cb 0.86 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1x57 h GLU 47 CO 0.19 0.40 -0.14 0.77 -1.40 0.00 0.00 179.01 178.83 1x57 h SER 48 N 0.62 0.00 0.00 1.42 0.02 -1.48 -3.41 113.55 110.73 1x57 h SER 48 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1x57 h SER 48 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1x57 h SER 48 CO -0.35 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.09 1x57 n GLY 49 N -0.44 1.34 0.00 -3.77 0.00 -0.33 -4.87 105.19 97.11 1x57 n GLY 49 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.58 3.12 -2.07 1.61 1.74 0.65 -4.99 116.66 115.14 1x57 n ARG 50 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1x57 n ARG 50 Cb 0.03 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.85 3.63 -0.25 7.54 0.00 -0.74 -4.94 121.76 125.15 1x57 s ALA 51 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 1x57 s ALA 51 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1x57 s ALA 51 CO 0.00 -0.68 1.66 0.42 0.00 0.00 0.00 175.76 177.16 1x57 s ILE 52 N 0.46 3.63 -0.34 0.00 -1.09 -1.26 -4.73 121.20 117.87 1x57 s ILE 52 Ca 0.62 0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 59.45 1x57 s ILE 52 Cb -0.40 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 36.80 1x57 s ILE 52 CO 0.37 -0.33 1.11 -2.16 -1.23 0.00 0.00 174.94 172.70 1x57 s PRO 53 N 4.93 4.00 0.10 2.79 0.04 -1.26 -5.02 135.00 140.57 1x57 s PRO 53 Ca 0.74 1.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.73 1x57 s PRO 53 Cb -0.24 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 1x57 s PRO 53 CO 0.31 -0.99 0.35 -0.80 0.04 0.00 0.00 177.00 175.91 1x57 s ASN 54 N 1.89 6.52 0.22 6.66 0.01 -1.26 -4.97 114.94 124.00 1x57 s ASN 54 Ca 0.47 0.62 -0.08 0.00 -0.71 0.00 0.00 52.86 53.15 1x57 s ASN 54 Cb -0.12 -2.11 0.31 0.00 0.41 0.00 0.00 41.25 39.74 1x57 s ASN 54 CO 0.19 0.12 1.76 -1.13 -1.51 0.00 0.00 177.10 176.53 1x57 h ASN 55 N 3.27 0.32 0.06 -1.22 -0.73 -1.98 0.84 115.58 116.13 1x57 h ASN 55 Ca -0.47 0.07 0.01 0.00 1.87 0.00 0.00 56.30 57.78 1x57 h ASN 55 Cb 1.18 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.78 1x57 h ASN 55 CO 0.70 0.18 -0.12 -0.61 -0.37 0.00 0.00 177.43 177.21 1x57 h GLN 56 N 0.48 -0.23 -0.44 6.67 4.15 -1.99 -0.34 115.11 123.40 1x57 h GLN 56 Ca 0.33 0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.63 1x57 h GLN 56 Cb 0.38 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1x57 h GLN 56 CO -0.30 -0.16 -0.25 0.28 -1.93 0.00 0.00 178.83 176.48 1x57 h VAL 57 N -0.24 1.27 -0.81 2.39 2.07 -1.83 -2.07 116.25 117.03 1x57 h VAL 57 Ca 0.03 -1.42 0.15 0.00 0.82 0.00 0.00 66.70 66.28 1x57 h VAL 57 Cb 0.27 1.23 -0.10 0.00 -1.52 0.00 0.00 31.29 31.17 1x57 h VAL 57 CO -0.08 0.48 0.37 -0.07 0.02 0.00 0.00 177.57 178.29 1x57 h LEU 58 N 0.78 0.40 -0.98 2.57 3.38 -0.68 -0.07 115.31 120.71 1x57 h LEU 58 Ca 0.09 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1x57 h LEU 58 Cb 0.83 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1x57 h LEU 58 CO 0.07 0.15 0.52 1.23 0.09 0.00 0.00 178.44 180.50 1x57 h GLY 59 N 0.52 1.32 0.95 0.83 0.00 -0.39 0.15 103.07 106.44 1x57 h GLY 59 Ca 0.45 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1x57 h GLY 59 CO -0.40 0.55 0.14 0.50 0.00 0.00 0.00 176.54 177.33 1x57 h LYS 60 N 1.25 0.65 -0.40 4.80 1.57 -0.55 -2.82 116.57 121.07 1x57 h LYS 60 Ca 0.32 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1x57 h LYS 60 Cb -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1x57 h LYS 60 CO -0.06 0.63 0.01 0.82 -0.57 0.00 0.00 179.45 180.29 1x57 h ILE 61 N 0.54 1.22 0.03 1.86 2.04 -0.66 -1.91 117.51 120.62 1x57 h ILE 61 Ca 0.14 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1x57 h ILE 61 Cb 0.25 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1x57 h ILE 61 CO -0.01 0.30 -0.07 -0.33 0.00 0.00 0.00 178.15 178.05 1x57 h GLU 62 N 0.60 -0.12 -1.00 2.37 5.08 -0.48 -1.81 114.58 119.22 1x57 h GLU 62 Ca 0.13 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1x57 h GLU 62 Cb 0.36 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1x57 h GLU 62 CO 0.01 -0.08 0.65 0.00 -1.00 0.00 0.00 179.01 178.59 1x57 h ARG 63 N -0.13 1.23 -0.18 2.33 3.08 -1.31 0.47 114.38 119.87 1x57 h ARG 63 Ca 0.02 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1x57 h ARG 63 Cb 0.15 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1x57 h ARG 63 CO -0.05 0.81 0.18 0.00 -1.07 0.00 0.00 179.97 179.84 1x57 h ALA 64 N 1.41 1.87 0.00 0.04 0.00 -0.53 -2.37 119.26 119.67 1x57 h ALA 64 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x57 h ALA 64 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1x57 h ALA 64 CO -0.13 -0.27 -0.77 0.44 0.00 0.00 0.00 179.25 178.52 1x57 n ILE 65 N -3.93 0.00 -1.97 0.00 -5.35 -0.85 -4.90 119.36 102.37 1x57 n ILE 65 Ca 0.01 -0.25 -0.09 0.00 -0.27 0.00 0.00 62.75 62.16 1x57 n ILE 65 Cb 0.31 0.68 -0.01 0.00 -1.74 0.00 0.00 39.64 38.88 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 1.65 0.24 3.14 3.28 0.00 0.16 -4.97 105.19 108.68 1x57 n GLY 66 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.38 2.47 0.33 0.99 1.43 -1.03 -1.70 118.68 118.79 1x57 s LEU 67 Ca 0.00 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 1x57 s LEU 67 Cb 0.00 -0.04 -0.10 0.00 0.03 0.00 0.00 46.19 46.08 1x57 s LEU 67 CO 0.00 -0.45 1.31 -0.54 0.23 0.00 0.00 176.35 176.90 1x57 s LYS 68 N -3.52 4.35 0.00 1.70 1.02 0.70 -4.41 119.74 119.57 1x57 s LYS 68 Ca 0.08 2.23 0.07 0.00 0.02 0.00 0.00 55.97 58.36 1x57 s LYS 68 Cb 0.04 -3.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.34 1x57 s LYS 68 CO -0.05 -0.20 0.75 1.28 -0.92 0.00 0.00 175.35 176.21 1x57 n LEU 69 N 0.79 1.63 -4.00 3.17 7.99 -1.26 -0.98 117.00 124.34 1x57 n LEU 69 Ca 0.00 -1.09 -0.16 0.00 -0.01 0.00 0.00 56.01 54.76 1x57 n LEU 69 Cb 0.42 -0.01 -0.14 0.00 -0.11 0.00 0.00 43.42 43.58 1x57 n LEU 69 CO 0.59 0.35 -0.41 -0.13 -1.51 0.00 0.00 177.39 176.28 1x57 s ARG 70 N -0.59 0.50 0.13 3.23 0.52 -1.26 -4.87 118.95 116.62 1x57 s ARG 70 Ca 0.08 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.94 1x57 s ARG 70 Cb 0.06 -0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.09 1x57 s ARG 70 CO 0.08 0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.93 1x57 n GLY 71 N 2.58 -2.59 0.00 -3.53 0.00 -1.26 -4.49 105.19 95.89 1x57 n GLY 71 Ca -0.15 -1.37 0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.64 0.55 0.00 1.61 5.02 -1.26 -1.93 118.16 119.51 1x57 n LYS 72 Ca -0.02 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1x57 n LYS 72 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.09 0.53 -4.60 4.39 8.00 -1.26 -4.96 116.55 117.56 1x57 n ASP 73 Ca 0.14 -1.74 -0.47 0.00 0.71 0.00 0.00 54.79 53.43 1x57 n ASP 73 Cb 0.10 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 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 -0.16 1.11 -0.60 0.53 3.06 -0.81 -0.93 119.36 121.56 1x57 n ILE 74 Ca 0.00 -0.28 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 1x57 n ILE 74 Cb 0.13 -1.03 0.00 0.00 0.54 0.00 0.00 39.64 39.28 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 1.90 1.74 3.80 4.50 0.00 -0.15 -4.95 105.19 112.01 1x57 n GLY 75 Ca 0.13 0.00 -0.34 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 -0.02 3.78 0.78 1.61 -0.14 -0.10 -4.77 119.74 120.87 1x57 s LYS 76 Ca 0.00 1.36 -0.12 0.00 -1.36 0.00 0.00 55.97 55.85 1x57 s LYS 76 Cb 0.00 -2.09 0.06 0.00 -1.68 0.00 0.00 37.83 34.12 1x57 s LYS 76 CO 0.00 -0.45 1.13 -1.25 -0.76 0.00 0.00 175.35 174.02 1x57 s PRO 77 N -3.26 2.03 -0.13 -1.68 0.04 -1.26 -0.22 135.00 130.53 1x57 s PRO 77 Ca 0.67 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 1x57 s PRO 77 Cb -0.16 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1x57 s PRO 77 CO 0.20 -1.85 0.11 0.96 0.04 0.00 0.00 177.00 176.47 1x57 s ILE 78 N -2.57 5.26 0.00 0.56 -4.36 -0.69 -4.53 121.20 114.88 1x57 s ILE 78 Ca 0.66 0.12 0.00 0.00 -0.26 0.00 0.00 60.65 61.17 1x57 s ILE 78 Cb -0.21 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.20 1x57 s ILE 78 CO 0.52 0.59 0.00 -1.84 0.24 0.00 0.00 174.94 174.45 1x57 n GLU 79 N 2.25 0.00 -1.00 0.37 0.28 -1.26 -4.84 120.64 116.44 1x57 n GLU 79 Ca -0.19 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.52 1x57 n GLU 79 Cb 0.54 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.62 1x57 n GLU 79 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1x57 s LYS 80 N 0.00 -0.13 0.41 3.44 -0.14 -1.26 -4.90 119.74 117.15 1x57 s LYS 80 Ca 0.00 0.53 -0.26 0.00 -1.36 0.00 0.00 55.97 54.89 1x57 s LYS 80 Cb 0.00 -1.67 -0.10 0.00 -1.68 0.00 0.00 37.83 34.38 1x57 s LYS 80 CO 0.00 -3.11 1.22 0.41 -0.76 0.00 0.00 175.35 173.11 1x57 n GLY 81 N -0.57 0.41 3.76 -3.33 0.00 -1.26 -4.94 105.19 99.26 1x57 n GLY 81 Ca 0.05 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.12 2.55 0.00 1.61 0.04 -1.26 -4.97 135.00 130.85 1x57 s PRO 82 Ca 0.60 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x57 s PRO 82 Cb -0.53 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1x57 s PRO 82 CO 0.58 -1.45 0.85 -2.13 0.04 0.00 0.00 177.00 174.89 1x57 n ARG 83 N -2.72 0.00 -4.41 4.56 0.63 -1.26 -5.15 116.66 108.31 1x57 n ARG 83 Ca 0.11 -0.84 -0.21 0.00 -0.92 0.00 0.00 57.85 55.98 1x57 n ARG 83 Cb 0.52 0.49 -0.09 0.00 0.45 0.00 0.00 32.46 33.83 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x57 s ALA 84 N 0.00 2.33 -0.09 5.13 0.00 -1.26 -5.16 121.76 122.71 1x57 s ALA 84 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.30 1x57 s ALA 84 Cb 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1x57 s ALA 84 CO 0.00 -0.42 -0.01 -1.59 0.00 0.00 0.00 175.76 173.74 1x57 s LYS 85 N -3.80 3.06 0.00 0.00 0.00 -1.26 -5.08 119.74 112.66 1x57 s LYS 85 Ca 0.32 -0.44 0.00 0.00 0.00 0.00 0.00 55.97 55.85 1x57 s LYS 85 Cb 0.05 -2.80 0.00 0.00 0.00 0.00 0.00 37.83 35.08 1x57 s LYS 85 CO 0.16 0.63 0.00 0.45 0.00 0.00 0.00 175.35 176.59 1x57 n SER 86 N 2.35 0.00 -4.28 0.03 2.88 -1.26 -5.13 113.62 108.21 1x57 n SER 86 Ca -0.18 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.93 1x57 n SER 86 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1x57 n SER 86 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x57 s GLY 87 N 0.00 2.04 1.00 0.46 0.00 -1.26 -5.09 107.32 104.47 1x57 s GLY 87 Ca 0.00 -2.40 -0.12 0.00 0.00 0.00 0.00 44.72 42.20 1x57 s GLY 87 CO 0.00 1.11 1.08 2.56 0.00 0.00 0.00 173.10 177.85 1x57 s PRO 88 N 1.50 0.43 0.31 2.90 0.04 -1.26 -5.09 135.00 133.83 1x57 s PRO 88 Ca 0.04 0.74 0.01 0.00 0.04 0.00 0.00 61.00 61.82 1x57 s PRO 88 Cb -0.27 -1.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1x57 s PRO 88 CO 0.02 -2.78 0.39 -1.13 0.04 0.00 0.00 177.00 173.53 1x57 n SER 89 N -4.25 -1.06 -3.72 6.66 3.41 -1.26 -5.19 113.62 108.21 1x57 n SER 89 Ca 0.06 -2.76 -0.10 0.00 -0.26 0.00 0.00 58.87 55.80 1x57 n SER 89 Cb 0.56 2.06 -0.05 0.00 -0.26 0.00 0.00 64.21 66.52 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 -2.98 -0.20 0.00 4.04 0.15 -1.26 -5.35 113.70 108.11 1x57 s SER 90 Ca 0.29 -0.46 0.24 0.00 0.70 0.00 0.00 55.95 56.71 1x57 s SER 90 Cb -0.00 0.50 0.19 0.00 -1.71 0.00 0.00 66.02 65.00 1x57 s SER 90 CO 0.20 -0.93 1.25 0.61 1.20 0.00 0.00 173.24 175.58