#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1syr n LYS 11 N 0.00 1.80 -3.40 1.45 3.00 -1.24 -4.71 118.16 115.06 1syr n LYS 11 Ca 0.00 0.65 -0.40 0.00 -0.00 0.00 0.00 58.31 58.56 1syr n LYS 11 Cb 0.00 -2.41 -0.09 0.00 0.00 0.00 0.00 35.03 32.53 1syr n LYS 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1syr s ILE 12 N 2.01 5.16 0.24 3.15 1.01 -1.26 -0.74 121.20 130.77 1syr s ILE 12 Ca 0.86 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 1syr s ILE 12 Cb -0.80 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 37.80 1syr s ILE 12 CO 0.47 -0.02 0.94 -0.69 0.00 0.00 0.00 174.94 175.64 1syr s VAL 13 N 2.05 4.08 0.00 2.92 1.01 -0.20 -4.95 120.40 125.30 1syr s VAL 13 Ca 0.13 2.08 0.00 0.00 0.00 0.00 0.00 61.98 64.19 1syr s VAL 13 Cb -0.16 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1syr s VAL 13 CO 0.11 0.49 0.53 0.35 0.00 0.00 0.00 175.10 176.58 1syr n THR 14 N 1.54 0.25 -3.59 3.92 -2.24 -1.26 -4.58 114.28 108.32 1syr n THR 14 Ca -0.02 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1syr n THR 14 Cb 0.47 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 1syr n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1syr s SER 15 N -0.25 -0.31 0.07 3.42 1.04 -1.26 -4.88 113.70 111.54 1syr s SER 15 Ca 0.00 -0.25 -0.20 0.00 0.48 0.00 0.00 55.95 55.98 1syr s SER 15 Cb 0.00 0.50 -0.11 0.00 0.10 0.00 0.00 66.02 66.51 1syr s SER 15 CO 0.00 -0.88 1.52 -0.61 0.98 0.00 0.00 173.24 174.25 1syr h GLN 16 N 2.29 0.30 -0.70 4.02 4.15 -1.97 -1.32 115.11 121.89 1syr h GLN 16 Ca -0.34 -0.09 0.15 0.00 0.77 0.00 0.00 58.65 59.14 1syr h GLN 16 Cb 1.27 -0.03 -0.11 0.00 0.21 0.00 0.00 27.48 28.81 1syr h GLN 16 CO 0.45 0.49 0.06 0.00 -1.93 0.00 0.00 178.83 177.90 1syr h ALA 17 N 0.80 0.77 -0.33 3.38 0.00 -1.99 0.25 119.26 122.15 1syr h ALA 17 Ca 0.05 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1syr h ALA 17 Cb 0.35 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1syr h ALA 17 CO 0.01 -0.39 0.14 1.49 0.00 0.00 0.00 179.25 180.50 1syr h GLU 18 N 0.16 0.48 0.29 0.00 4.81 -1.92 -1.34 114.58 117.05 1syr h GLU 18 Ca 0.38 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1syr h GLU 18 Cb 0.65 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1syr h GLU 18 CO -0.57 0.47 -0.21 0.35 -0.73 0.00 0.00 179.01 178.33 1syr h PHE 19 N 0.39 -0.55 -0.47 0.92 3.57 -0.27 -2.03 116.94 118.49 1syr h PHE 19 Ca 0.11 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1syr h PHE 19 Cb 0.16 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1syr h PHE 19 CO -0.01 -0.32 0.21 -0.44 -2.23 0.00 0.00 178.31 175.52 1syr h ASP 20 N -0.50 0.28 -0.79 0.41 3.32 -0.50 -2.34 116.42 116.31 1syr h ASP 20 Ca -0.02 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1syr h ASP 20 Cb 0.43 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1syr h ASP 20 CO -0.00 0.20 0.47 -1.28 -1.72 0.00 0.00 179.24 176.91 1syr h SER 21 N 0.42 0.72 -0.23 6.45 0.87 -1.08 -0.75 113.55 119.95 1syr h SER 21 Ca 0.21 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 1syr h SER 21 Cb 0.16 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1syr h SER 21 CO -0.18 0.46 -0.27 0.40 -0.53 0.00 0.00 176.83 176.71 1syr h ILE 22 N 0.85 1.32 -0.37 2.23 2.04 -0.97 -1.87 117.51 120.74 1syr h ILE 22 Ca 0.35 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 1syr h ILE 22 Cb 0.20 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1syr h ILE 22 CO -0.18 0.45 -0.07 0.40 0.00 0.00 0.00 178.15 178.74 1syr h ILE 23 N 0.28 1.27 -0.11 -0.67 5.03 -1.25 -2.24 117.51 119.83 1syr h ILE 23 Ca 0.03 -1.13 -0.01 0.00 -0.12 0.00 0.00 64.86 63.63 1syr h ILE 23 Cb 0.83 1.26 -0.00 0.00 -3.03 0.00 0.00 36.82 35.88 1syr h ILE 23 CO 0.06 0.38 0.03 0.28 -0.68 0.00 0.00 178.15 178.21 1syr h SER 24 N 0.50 0.16 0.26 1.72 0.02 -1.16 -3.32 113.55 111.72 1syr h SER 24 Ca 0.09 -0.23 -0.34 0.00 -0.84 0.00 0.00 61.79 60.47 1syr h SER 24 Cb 0.58 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.10 1syr h SER 24 CO 0.03 0.35 -1.58 1.56 -1.14 0.00 0.00 176.83 176.05 1syr h GLN 25 N -0.03 0.47 -6.05 3.45 4.20 -1.40 -3.44 115.11 112.31 1syr h GLN 25 Ca 0.03 -0.81 -0.56 0.00 0.06 0.00 0.00 58.65 57.37 1syr h GLN 25 Cb 0.25 0.30 -0.05 0.00 0.30 0.00 0.00 27.48 28.28 1syr h GLN 25 CO 0.00 1.38 0.04 -0.80 -0.67 0.00 0.00 178.83 178.78 1syr s ASN 26 N -7.45 6.98 0.26 1.46 0.01 -0.84 -4.98 114.94 110.37 1syr s ASN 26 Ca -0.11 1.17 -0.05 0.00 -0.71 0.00 0.00 52.86 53.16 1syr s ASN 26 Cb 0.05 -2.39 0.31 0.00 0.41 0.00 0.00 41.25 39.62 1syr s ASN 26 CO 0.91 -0.02 1.92 1.05 -1.51 0.00 0.00 177.10 179.45 1syr h GLU 27 N 6.28 1.27 -4.23 -0.60 4.11 -1.85 -3.42 114.58 116.14 1syr h GLU 27 Ca -0.43 -0.08 -0.57 0.00 0.07 0.00 0.00 59.36 58.36 1syr h GLU 27 Cb 1.20 -0.29 -0.38 0.00 0.50 0.00 0.00 28.75 29.78 1syr h GLU 27 CO 0.73 0.84 -0.79 -1.17 0.07 0.00 0.00 179.01 178.69 1syr s LEU 28 N -10.12 1.75 -0.06 3.06 2.96 -1.26 -1.07 118.68 113.95 1syr s LEU 28 Ca -0.13 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.07 1syr s LEU 28 Cb 0.18 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.93 1syr s LEU 28 CO 0.82 -0.18 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.92 1syr s VAL 29 N 1.59 0.66 -0.12 1.68 1.01 -0.56 -0.67 120.40 123.99 1syr s VAL 29 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1syr s VAL 29 Cb -0.16 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1syr s VAL 29 CO -0.08 0.27 -0.00 -0.51 0.00 0.00 0.00 175.10 174.78 1syr s ILE 30 N 1.14 4.23 -0.08 2.22 2.07 0.01 0.86 121.20 131.66 1syr s ILE 30 Ca -0.07 -0.26 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 1syr s ILE 30 Cb -0.14 -2.82 0.01 0.00 0.13 0.00 0.00 42.46 39.64 1syr s ILE 30 CO -0.01 0.55 -0.16 0.54 -1.91 0.00 0.00 174.94 173.95 1syr s VAL 31 N -0.37 1.44 -0.35 4.00 0.11 0.13 -1.35 120.40 124.01 1syr s VAL 31 Ca 0.07 -0.66 -0.18 0.00 -2.93 0.00 0.00 61.98 58.27 1syr s VAL 31 Cb -0.12 -1.28 -0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1syr s VAL 31 CO 0.02 0.42 0.53 -0.62 -3.33 0.00 0.00 175.10 172.12 1syr s ASP 32 N 0.53 6.32 -0.47 3.54 2.15 -0.28 -1.22 116.67 127.24 1syr s ASP 32 Ca -0.16 -0.04 -0.20 0.00 0.43 0.00 0.00 52.55 52.59 1syr s ASP 32 Cb -0.16 -2.27 0.04 0.00 -0.30 0.00 0.00 42.92 40.22 1syr s ASP 32 CO 0.05 -0.50 0.61 -0.36 -0.17 0.00 0.00 175.17 174.81 1syr s PHE 33 N 2.43 3.06 0.51 -5.34 0.08 0.38 -0.37 117.98 118.73 1syr s PHE 33 Ca 0.19 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.90 1syr s PHE 33 Cb -0.15 -3.40 -0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1syr s PHE 33 CO 0.14 -0.95 0.03 -0.59 -0.10 0.00 0.00 175.22 173.75 1syr s PHE 34 N 2.66 1.75 -0.04 0.36 -0.71 0.63 -2.84 117.98 119.79 1syr s PHE 34 Ca 0.17 -1.09 -0.31 0.00 -1.04 0.00 0.00 56.93 54.67 1syr s PHE 34 Cb -0.17 -1.48 0.07 0.00 -1.21 0.00 0.00 43.02 40.23 1syr s PHE 34 CO 0.15 0.07 0.69 0.00 -1.34 0.00 0.00 175.22 174.78 1syr s ALA 35 N -2.96 -1.77 -0.59 1.99 0.00 -1.26 -0.48 121.76 116.68 1syr s ALA 35 Ca 0.05 1.29 0.26 0.00 0.00 0.00 0.00 51.96 53.56 1syr s ALA 35 Cb 0.00 0.01 0.83 0.00 0.00 0.00 0.00 23.12 23.96 1syr s ALA 35 CO 0.03 -0.39 1.75 0.93 0.00 0.00 0.00 175.76 178.09 1syr h GLU 36 N 2.94 0.00 -0.00 0.00 4.39 -2.00 -2.62 114.58 117.29 1syr h GLU 36 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1syr h GLU 36 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1syr h GLU 36 CO 0.39 0.00 -0.13 -2.67 -1.16 0.00 0.00 179.01 175.43 1syr n TRP 37 N -2.41 0.00 -3.67 4.33 4.27 -1.26 -4.79 117.44 113.91 1syr n TRP 37 Ca 0.04 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.27 1syr n TRP 37 Cb 0.39 -0.23 -0.12 0.00 -1.36 0.00 0.00 31.31 29.99 1syr n TRP 37 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1syr h GLY 39 N 8.33 -0.13 -0.56 0.00 0.00 -1.86 -2.93 103.07 105.92 1syr h GLY 39 Ca -0.30 0.05 0.23 0.00 0.00 0.00 0.00 47.33 47.32 1syr h GLY 39 CO 0.62 -0.05 0.14 -2.55 0.00 0.00 0.00 176.54 174.71 1syr h PRO 40 N -0.43 0.13 -0.68 4.80 0.11 -1.94 -1.25 132.00 132.74 1syr h PRO 40 Ca -0.01 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.15 1syr h PRO 40 Cb 0.36 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.38 1syr h PRO 40 CO 0.02 0.09 0.37 0.00 -0.21 0.00 0.00 178.00 178.27 1syr h LYS 42 N 0.67 0.74 -0.69 0.00 1.57 -1.14 -2.80 116.57 114.93 1syr h LYS 42 Ca 0.31 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1syr h LYS 42 Cb 0.22 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1syr h LYS 42 CO -0.20 0.85 0.16 0.00 -0.57 0.00 0.00 179.45 179.69 1syr h ARG 43 N 0.67 1.11 0.00 3.15 3.08 -0.87 -3.16 114.38 118.36 1syr h ARG 43 Ca 0.11 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1syr h ARG 43 Cb 0.62 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1syr h ARG 43 CO 0.04 0.99 -0.06 0.97 -1.07 0.00 0.00 179.97 180.84 1syr h ILE 44 N 1.05 0.00 -0.50 2.04 6.09 -1.35 -3.38 117.51 121.46 1syr h ILE 44 Ca 0.22 -0.95 0.09 0.00 -1.37 0.00 0.00 64.86 62.85 1syr h ILE 44 Cb 0.38 1.92 -0.10 0.00 0.47 0.00 0.00 36.82 39.49 1syr h ILE 44 CO 0.00 0.00 -0.34 0.00 -3.07 0.00 0.00 178.15 174.74 1syr h ALA 45 N 2.05 -0.14 -0.94 0.18 0.00 -1.46 -1.02 119.26 117.93 1syr h ALA 45 Ca 0.00 0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1syr h ALA 45 Cb 0.98 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 19.42 1syr h ALA 45 CO 0.00 -0.72 0.52 -1.35 0.00 0.00 0.00 179.25 177.70 1syr h PRO 46 N -0.21 0.60 -0.35 0.00 0.11 -1.78 0.18 132.00 130.54 1syr h PRO 46 Ca 0.20 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 1syr h PRO 46 Cb 0.55 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1syr h PRO 46 CO -0.61 0.40 -0.09 0.35 -0.21 0.00 0.00 178.00 177.84 1syr h PHE 47 N 0.62 0.77 -0.66 0.65 3.57 -1.48 -1.34 116.94 119.07 1syr h PHE 47 Ca 0.56 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 1syr h PHE 47 Cb 0.93 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1syr h PHE 47 CO -0.06 0.84 0.37 -0.92 -2.23 0.00 0.00 178.31 176.31 1syr h TYR 48 N 0.47 0.89 -0.40 0.41 3.20 -0.51 -0.33 116.97 120.70 1syr h TYR 48 Ca 0.09 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1syr h TYR 48 Cb 0.59 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1syr h TYR 48 CO 0.05 0.63 0.21 1.49 -1.64 0.00 0.00 178.16 178.91 1syr h GLU 49 N 0.89 0.56 -0.46 1.82 4.57 -0.52 -1.81 114.58 119.64 1syr h GLU 49 Ca 0.23 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1syr h GLU 49 Cb 0.03 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1syr h GLU 49 CO -0.04 0.46 0.25 1.49 -1.18 0.00 0.00 179.01 180.00 1syr h GLU 50 N 0.51 0.64 -0.78 1.92 4.57 -0.92 -2.81 114.58 117.72 1syr h GLU 50 Ca 0.14 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1syr h GLU 50 Cb 0.07 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1syr h GLU 50 CO -0.02 0.51 0.41 0.00 -1.18 0.00 0.00 179.01 178.72 1syr h SER 52 N 1.10 0.22 -0.27 0.00 4.64 -1.07 0.78 113.55 118.94 1syr h SER 52 Ca 0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 1syr h SER 52 Cb 0.06 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1syr h SER 52 CO -0.04 0.14 -0.27 0.11 -0.87 0.00 0.00 176.83 175.90 1syr h LYS 53 N 0.25 0.67 0.16 4.77 1.57 -1.39 -3.37 116.57 119.23 1syr h LYS 53 Ca 0.17 -0.35 -0.36 0.00 -1.87 0.00 0.00 60.65 58.24 1syr h LYS 53 Cb 0.36 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1syr h LYS 53 CO -0.03 0.96 -1.84 0.00 -0.57 0.00 0.00 179.45 177.97 1syr h THR 54 N 0.40 0.83 -0.99 -0.16 1.03 -1.36 -3.39 112.91 109.26 1syr h THR 54 Ca 0.04 -2.46 -0.74 0.00 -0.01 0.00 0.00 66.41 63.24 1syr h THR 54 Cb 0.84 2.67 -0.12 0.00 -1.07 0.00 0.00 68.15 70.47 1syr h THR 54 CO 0.07 0.87 2.39 -1.22 -0.01 0.00 0.00 175.52 177.62 1syr n TYR 55 N -3.55 3.01 0.26 0.00 4.01 0.20 -4.77 117.16 116.32 1syr n TYR 55 Ca -0.27 -2.84 0.09 0.00 -0.16 0.00 0.00 57.90 54.72 1syr n TYR 55 Cb 1.07 -2.09 0.68 0.00 -0.31 0.00 0.00 39.34 38.68 1syr n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1syr h THR 56 N 3.66 0.92 0.00 -0.72 1.03 -1.78 -2.73 112.91 113.29 1syr h THR 56 Ca 0.48 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.82 1syr h THR 56 Cb 0.59 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 1syr h THR 56 CO 1.68 0.02 0.00 0.29 -0.01 0.00 0.00 175.52 177.50 1syr n LYS 57 N -4.38 0.11 -4.36 0.00 5.02 -1.26 -4.70 118.16 108.58 1syr n LYS 57 Ca -0.03 0.22 -0.19 0.00 -2.02 0.00 0.00 58.31 56.29 1syr n LYS 57 Cb 0.10 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 1syr n LYS 57 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1syr s MET 58 N -2.63 0.88 -0.14 1.97 1.75 -1.03 -4.76 119.30 115.33 1syr s MET 58 Ca 0.08 -0.64 -0.17 0.00 -1.25 0.00 0.00 55.69 53.71 1syr s MET 58 Cb 0.06 -0.85 -0.04 0.00 2.84 0.00 0.00 34.83 36.83 1syr s MET 58 CO 0.14 0.22 0.43 0.08 -0.65 0.00 0.00 175.02 175.23 1syr s VAL 59 N -0.70 5.22 -0.24 10.11 1.01 0.15 -4.96 120.40 130.98 1syr s VAL 59 Ca 0.01 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 1syr s VAL 59 Cb -0.07 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1syr s VAL 59 CO 0.01 0.33 0.06 -0.36 0.00 0.00 0.00 175.10 175.14 1syr s PHE 60 N 0.70 3.08 0.12 5.22 0.40 -1.26 -0.81 117.98 125.43 1syr s PHE 60 Ca 0.23 -0.42 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 1syr s PHE 60 Cb -0.15 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1syr s PHE 60 CO 0.08 -0.34 -0.17 0.96 0.70 0.00 0.00 175.22 176.46 1syr s ILE 61 N 1.52 1.51 -0.02 0.64 -4.36 -0.46 -3.73 121.20 116.32 1syr s ILE 61 Ca 0.06 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 58.80 1syr s ILE 61 Cb -0.15 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 1syr s ILE 61 CO 0.03 -0.30 -0.13 -0.54 0.24 0.00 0.00 174.94 174.24 1syr s LYS 62 N -2.45 2.42 -0.11 0.37 1.02 0.08 -1.13 119.74 119.95 1syr s LYS 62 Ca 0.09 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.30 1syr s LYS 62 Cb -0.07 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1syr s LYS 62 CO 0.04 0.60 -0.00 0.08 -0.92 0.00 0.00 175.35 175.15 1syr s VAL 63 N -0.83 0.50 -0.26 3.17 1.01 0.50 -1.04 120.40 123.45 1syr s VAL 63 Ca 0.13 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1syr s VAL 63 Cb -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1syr s VAL 63 CO 0.03 0.17 1.19 -0.62 0.00 0.00 0.00 175.10 175.86 1syr s ASP 64 N 1.91 6.88 0.51 3.32 -1.08 -1.26 -0.27 116.67 126.68 1syr s ASP 64 Ca 0.04 1.31 0.15 0.00 -0.52 0.00 0.00 52.55 53.52 1syr s ASP 64 Cb -0.13 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 40.00 1syr s ASP 64 CO -0.06 -0.88 2.14 -0.37 0.52 0.00 0.00 175.17 176.51 1syr h VAL 65 N 5.70 1.02 0.14 1.11 -1.51 -1.12 -1.35 116.25 120.24 1syr h VAL 65 Ca -0.23 -0.03 -0.31 0.00 -1.23 0.00 0.00 66.70 64.89 1syr h VAL 65 Cb 1.08 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1syr h VAL 65 CO 1.01 0.02 -1.50 0.44 -1.23 0.00 0.00 177.57 176.31 1syr h ASP 66 N 0.07 0.47 -0.84 4.19 3.32 -1.92 -3.00 116.42 118.71 1syr h ASP 66 Ca 0.02 -0.61 0.05 0.00 0.02 0.00 0.00 57.03 56.51 1syr h ASP 66 Cb -0.00 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 1syr h ASP 66 CO -0.00 1.50 0.53 -0.08 -1.72 0.00 0.00 179.24 179.46 1syr h GLU 67 N 0.08 0.96 -2.20 3.56 4.81 -1.66 -3.23 114.58 116.90 1syr h GLU 67 Ca -0.23 -0.06 -0.58 0.00 -0.13 0.00 0.00 59.36 58.36 1syr h GLU 67 Cb 2.03 -0.22 -0.41 0.00 0.63 0.00 0.00 28.75 30.78 1syr h GLU 67 CO 0.18 0.63 -0.73 0.28 -0.73 0.00 0.00 179.01 178.64 1syr n VAL 68 N -4.61 2.11 0.20 0.32 0.31 -0.80 -4.91 118.33 110.96 1syr n VAL 68 Ca 0.11 -5.21 0.13 0.00 -0.01 0.00 0.00 64.34 59.36 1syr n VAL 68 Cb 0.14 -1.54 0.71 0.00 -0.91 0.00 0.00 33.84 32.24 1syr n VAL 68 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1syr h SER 69 N 3.47 0.00 -0.83 4.52 4.64 -1.55 -1.21 113.55 122.59 1syr h SER 69 Ca 0.14 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.56 1syr h SER 69 Cb 0.64 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 1syr h SER 69 CO 0.76 0.00 0.54 -0.33 -0.87 0.00 0.00 176.83 176.93 1syr h GLU 70 N 0.00 0.79 -0.02 4.77 3.07 -1.91 0.14 114.58 121.42 1syr h GLU 70 Ca 0.07 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1syr h GLU 70 Cb 0.28 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1syr h GLU 70 CO -0.00 0.52 -0.16 0.28 -1.40 0.00 0.00 179.01 178.25 1syr h VAL 71 N 0.81 1.51 -0.85 3.13 2.07 -1.61 -3.11 116.25 118.20 1syr h VAL 71 Ca 0.38 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1syr h VAL 71 Cb 0.41 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1syr h VAL 71 CO -0.15 0.47 0.46 0.71 0.02 0.00 0.00 177.57 179.08 1syr h THR 72 N -0.48 1.25 -0.67 2.57 1.35 -1.01 0.22 112.91 116.13 1syr h THR 72 Ca -0.01 -0.64 -0.08 0.00 -0.55 0.00 0.00 66.41 65.13 1syr h THR 72 Cb 0.85 0.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 1syr h THR 72 CO 0.03 0.28 0.10 -0.33 -0.25 0.00 0.00 175.52 175.36 1syr h GLU 73 N 1.19 1.11 -0.53 4.72 4.39 -1.14 -2.09 114.58 122.24 1syr h GLU 73 Ca 0.30 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1syr h GLU 73 Cb 0.04 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1syr h GLU 73 CO -0.05 1.02 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.54 1syr h LYS 74 N 1.04 0.98 -0.22 2.33 3.64 -1.24 -3.01 116.57 120.09 1syr h LYS 74 Ca 0.20 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1syr h LYS 74 Cb 0.45 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1syr h LYS 74 CO 0.01 1.02 0.00 0.39 -2.27 0.00 0.00 179.45 178.60 1syr n GLU 75 N -4.22 1.60 -3.50 1.90 -0.58 0.67 -4.97 120.64 111.55 1syr n GLU 75 Ca 0.01 -0.93 -0.15 0.00 -0.42 0.00 0.00 57.16 55.67 1syr n GLU 75 Cb 0.37 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1syr n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1syr n ASN 76 N 0.22 -6.03 -4.42 1.62 5.15 -0.80 -4.94 115.26 106.05 1syr n ASN 76 Ca 0.11 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 53.04 1syr n ASN 76 Cb 0.24 -3.18 -0.09 0.00 -0.53 0.00 0.00 39.78 36.22 1syr n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1syr s ILE 77 N -3.01 5.15 -0.05 -1.44 -1.09 -1.10 -4.98 121.20 114.69 1syr s ILE 77 Ca 0.02 -0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1syr s ILE 77 Cb -0.01 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1syr s ILE 77 CO 0.84 -0.41 -0.07 0.35 -1.23 0.00 0.00 174.94 174.42 1syr n THR 78 N 5.15 0.43 -2.95 2.92 -2.24 -1.26 -4.99 114.28 111.35 1syr n THR 78 Ca -0.12 0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.82 1syr n THR 78 Cb 0.45 -1.76 -0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1syr n THR 78 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1syr s SER 79 N -4.29 6.23 -0.08 3.42 1.04 -1.26 -5.10 113.70 113.66 1syr s SER 79 Ca -0.06 0.69 0.03 0.00 0.48 0.00 0.00 55.95 57.09 1syr s SER 79 Cb 0.01 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 64.04 1syr s SER 79 CO 0.08 -0.49 -0.17 -0.32 0.98 0.00 0.00 173.24 173.33 1syr s MET 80 N -4.57 2.23 0.61 4.02 1.75 -1.26 -4.02 119.30 118.05 1syr s MET 80 Ca 0.45 -0.59 -0.09 0.00 -1.25 0.00 0.00 55.69 54.21 1syr s MET 80 Cb -0.10 -1.76 0.14 0.00 2.84 0.00 0.00 34.83 35.95 1syr s MET 80 CO 0.41 0.08 0.83 -0.35 -0.65 0.00 0.00 175.02 175.35 1syr n PRO 81 N 3.72 -0.64 -3.72 4.11 -0.04 -1.26 -4.75 135.00 132.41 1syr n PRO 81 Ca -0.21 -1.46 -0.13 0.00 -0.04 0.00 0.00 63.50 61.65 1syr n PRO 81 Cb 0.52 -0.80 -0.13 0.00 -0.04 0.00 0.00 33.50 33.04 1syr n PRO 81 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1syr s THR 82 N -2.71 -0.09 -0.14 0.52 2.01 -1.13 -2.59 115.64 111.51 1syr s THR 82 Ca 0.49 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 1syr s THR 82 Cb -0.02 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1syr s THR 82 CO 0.34 0.07 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.92 1syr s PHE 83 N 1.41 2.98 -0.03 4.92 0.08 -0.14 -0.47 117.98 126.73 1syr s PHE 83 Ca -0.08 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1syr s PHE 83 Cb -0.11 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.44 1syr s PHE 83 CO -0.08 0.00 -0.15 0.15 -0.10 0.00 0.00 175.22 175.05 1syr s LYS 84 N 0.15 1.38 -0.07 0.44 -0.14 -0.36 -0.28 119.74 120.87 1syr s LYS 84 Ca -0.03 -0.51 0.04 0.00 -1.36 0.00 0.00 55.97 54.11 1syr s LYS 84 Cb -0.14 -1.27 -0.02 0.00 -1.68 0.00 0.00 37.83 34.73 1syr s LYS 84 CO 0.03 0.25 -0.18 0.54 -0.76 0.00 0.00 175.35 175.23 1syr s VAL 85 N -0.08 2.72 -0.12 3.17 0.11 -0.43 0.18 120.40 125.95 1syr s VAL 85 Ca 0.00 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1syr s VAL 85 Cb -0.09 -2.06 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1syr s VAL 85 CO 0.01 0.57 -0.15 -0.31 -3.33 0.00 0.00 175.10 171.89 1syr s TYR 86 N -0.29 2.76 -0.22 1.54 1.51 0.25 -1.03 117.35 121.87 1syr s TYR 86 Ca 0.01 -0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1syr s TYR 86 Cb -0.13 -1.80 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1syr s TYR 86 CO 0.03 -0.19 -0.10 0.21 -1.11 0.00 0.00 175.55 174.38 1syr s LYS 87 N 0.23 3.01 -1.48 -0.62 2.20 -0.49 -1.50 119.74 121.08 1syr s LYS 87 Ca -0.10 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.60 1syr s LYS 87 Cb -0.16 -2.85 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 1syr s LYS 87 CO 0.06 -0.29 0.78 0.09 -0.36 0.00 0.00 175.35 175.62 1syr n ASN 88 N 4.68 -5.86 0.00 1.43 5.03 -0.23 -2.73 115.26 117.58 1syr n ASN 88 Ca -0.18 -0.40 0.00 0.00 0.87 0.00 0.00 54.58 54.87 1syr n ASN 88 Cb 0.49 -4.70 0.00 0.00 -1.02 0.00 0.00 39.78 34.55 1syr n ASN 88 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1syr n GLY 89 N -1.63 2.22 3.64 7.41 0.00 -1.25 -5.03 105.19 110.55 1syr n GLY 89 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1syr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1syr s SER 90 N 0.21 4.76 0.09 1.61 0.01 -1.11 -4.86 113.70 114.43 1syr s SER 90 Ca 0.00 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 1syr s SER 90 Cb 0.00 -1.05 -0.06 0.00 0.21 0.00 0.00 66.02 65.12 1syr s SER 90 CO 0.00 0.18 1.13 -0.94 0.41 0.00 0.00 173.24 174.01 1syr s SER 91 N -2.26 7.20 -0.03 2.44 1.04 -1.26 -1.39 113.70 119.43 1syr s SER 91 Ca 0.24 1.98 0.01 0.00 0.48 0.00 0.00 55.95 58.67 1syr s SER 91 Cb -0.11 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 1syr s SER 91 CO 0.16 -0.34 -0.01 1.33 0.98 0.00 0.00 173.24 175.36 1syr n VAL 92 N 3.35 0.18 -4.08 5.02 0.24 -0.20 -4.93 118.33 117.91 1syr n VAL 92 Ca 0.06 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 1syr n VAL 92 Cb 0.47 -0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 31.95 1syr n VAL 92 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1syr s ASP 93 N -3.83 0.84 -0.06 -1.34 -1.08 -1.21 -5.03 116.67 104.96 1syr s ASP 93 Ca -0.03 -0.48 -0.03 0.00 -0.52 0.00 0.00 52.55 51.50 1syr s ASP 93 Cb 0.01 0.02 0.04 0.00 -1.46 0.00 0.00 42.92 41.53 1syr s ASP 93 CO 0.09 -0.16 0.14 0.28 0.52 0.00 0.00 175.17 176.04 1syr s THR 94 N -1.17 -0.08 -0.12 1.71 -1.32 -1.26 -1.32 115.64 112.09 1syr s THR 94 Ca -0.08 0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.64 1syr s THR 94 Cb -0.09 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.67 1syr s THR 94 CO 0.00 0.08 -0.22 -0.22 -2.21 0.00 0.00 174.62 172.06 1syr s LEU 95 N 1.31 2.19 -0.16 9.08 2.96 0.61 -4.99 118.68 129.68 1syr s LEU 95 Ca -0.08 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1syr s LEU 95 Cb -0.12 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1syr s LEU 95 CO -0.06 0.14 0.04 -0.76 -1.32 0.00 0.00 176.35 174.39 1syr s LEU 96 N 0.47 3.71 0.00 -0.68 1.43 -1.26 -0.96 118.68 121.38 1syr s LEU 96 Ca -0.15 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1syr s LEU 96 Cb -0.17 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1syr s LEU 96 CO 0.06 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1syr n GLY 97 N 3.32 2.85 2.74 -3.19 0.00 -1.07 -4.91 105.19 104.92 1syr n GLY 97 Ca -0.17 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1syr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1syr n ALA 98 N 0.27 5.79 -3.08 4.61 0.00 -1.26 -4.77 120.51 122.07 1syr n ALA 98 Ca 0.00 -4.66 -0.35 0.00 0.00 0.00 0.00 53.44 48.43 1syr n ALA 98 Cb 0.00 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 17.17 1syr n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1syr s ASN 99 N -1.55 4.81 0.08 0.00 3.84 -1.26 -4.89 114.94 115.97 1syr s ASN 99 Ca 0.37 -0.19 -0.28 0.00 0.21 0.00 0.00 52.86 52.97 1syr s ASN 99 Cb 0.16 -1.82 -0.17 0.00 -0.55 0.00 0.00 41.25 38.87 1syr s ASN 99 CO -0.07 0.08 1.65 0.44 -2.79 0.00 0.00 177.10 176.42 1syr h ASP 100 N 7.36 -0.41 -0.52 -4.21 5.19 -1.98 -0.45 116.42 121.41 1syr h ASP 100 Ca -0.35 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.14 1syr h ASP 100 Cb 1.18 0.11 -0.07 0.00 0.18 0.00 0.00 39.33 40.73 1syr h ASP 100 CO 0.61 -0.28 0.15 0.28 -3.12 0.00 0.00 179.24 176.88 1syr h SER 101 N -0.50 0.10 -0.40 6.45 0.02 -1.99 0.11 113.55 117.33 1syr h SER 101 Ca -0.05 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1syr h SER 101 Cb 0.38 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1syr h SER 101 CO 0.08 0.08 0.18 0.00 -1.14 0.00 0.00 176.83 176.03 1syr h ALA 102 N 1.38 0.51 -0.61 3.77 0.00 -1.93 -0.65 119.26 121.73 1syr h ALA 102 Ca 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1syr h ALA 102 Cb 0.32 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1syr h ALA 102 CO -0.30 0.09 0.24 1.25 0.00 0.00 0.00 179.25 180.53 1syr h LEU 103 N 0.50 0.84 -0.55 0.00 5.85 -0.60 -1.38 115.31 119.97 1syr h LEU 103 Ca 0.14 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1syr h LEU 103 Cb 0.14 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1syr h LEU 103 CO -0.02 0.78 0.35 0.50 -0.34 0.00 0.00 178.44 179.72 1syr h LYS 104 N 0.84 0.68 -0.55 1.25 3.64 -0.67 -0.70 116.57 121.06 1syr h LYS 104 Ca 0.20 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1syr h LYS 104 Cb 0.21 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1syr h LYS 104 CO -0.02 0.45 0.32 1.96 -2.27 0.00 0.00 179.45 179.90 1syr h GLN 105 N 0.70 0.62 0.08 1.90 4.20 -0.81 -0.09 115.11 121.71 1syr h GLN 105 Ca 0.21 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.90 1syr h GLN 105 Cb -0.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1syr h GLN 105 CO -0.07 0.41 -0.12 1.25 -0.67 0.00 0.00 178.83 179.62 1syr h LEU 106 N 0.63 -0.33 -0.93 1.46 5.85 -0.75 -2.06 115.31 119.18 1syr h LEU 106 Ca 0.23 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1syr h LEU 106 Cb 0.05 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1syr h LEU 106 CO -0.11 -0.18 0.19 0.40 -0.34 0.00 0.00 178.44 178.39 1syr h ILE 107 N -0.25 1.24 -0.08 4.05 2.04 -0.94 -2.89 117.51 120.68 1syr h ILE 107 Ca 0.02 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 1syr h ILE 107 Cb 0.26 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1syr h ILE 107 CO -0.07 0.32 -0.37 -0.33 0.00 0.00 0.00 178.15 177.71 1syr h GLU 108 N 0.94 0.16 -0.12 2.37 5.08 -0.88 -1.48 114.58 120.65 1syr h GLU 108 Ca 0.21 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1syr h GLU 108 Cb 0.28 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1syr h GLU 108 CO -0.01 0.51 0.17 -0.22 -1.00 0.00 0.00 179.01 178.46 1syr h LYS 109 N 0.14 0.00 0.00 2.33 3.64 -1.15 -3.13 116.57 118.40 1syr h LYS 109 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1syr h LYS 109 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1syr h LYS 109 CO 0.05 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.89 1syr n TYR 110 N -3.62 0.00 -1.32 1.91 4.01 -0.82 -5.13 117.16 112.19 1syr n TYR 110 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1syr n TYR 110 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40