#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nml n HIS 3 N 0.00 1.82 -4.75 0.66 -0.00 -1.17 -3.28 115.22 108.49 2nml n HIS 3 Ca 0.00 0.60 -0.26 0.00 -0.00 0.00 0.00 57.72 58.07 2nml n HIS 3 Cb 0.00 -2.40 -0.16 0.00 -0.00 0.00 0.00 29.99 27.43 2nml n HIS 3 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2nml s THR 4 N 2.37 1.33 -0.17 3.57 2.01 -0.10 -0.94 115.64 123.72 2nml s THR 4 Ca 0.94 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2nml s THR 4 Cb -1.05 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 2nml s THR 4 CO 0.59 0.39 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.20 2nml s ILE 5 N 0.25 3.28 -0.21 1.82 1.01 0.35 -0.52 121.20 127.18 2nml s ILE 5 Ca -0.08 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 2nml s ILE 5 Cb -0.13 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2nml s ILE 5 CO 0.03 0.48 0.07 -0.22 0.00 0.00 0.00 174.94 175.31 2nml s LEU 6 N 0.78 3.74 -0.19 2.97 2.96 0.55 -0.65 118.68 128.84 2nml s LEU 6 Ca -0.03 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 2nml s LEU 6 Cb -0.15 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2nml s LEU 6 CO 0.01 0.11 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.33 2nml s LEU 7 N 0.77 2.93 -0.05 -0.68 1.43 -0.00 -1.93 118.68 121.16 2nml s LEU 7 Ca 0.04 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2nml s LEU 7 Cb -0.13 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2nml s LEU 7 CO 0.02 0.06 -0.12 -0.69 0.23 0.00 0.00 176.35 175.85 2nml s VAL 8 N 1.00 1.06 -0.31 -1.59 1.01 -0.21 -1.90 120.40 119.45 2nml s VAL 8 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 2nml s VAL 8 Cb -0.15 -0.95 0.10 0.00 0.00 0.00 0.00 36.38 35.39 2nml s VAL 8 CO 0.00 0.33 0.10 -1.58 0.00 0.00 0.00 175.10 173.94 2nml s GLN 9 N 0.37 0.77 0.13 2.72 0.74 -0.16 -1.03 119.66 123.20 2nml s GLN 9 Ca -0.08 -1.14 -0.21 0.00 0.05 0.00 0.00 55.36 53.98 2nml s GLN 9 Cb -0.12 -2.07 -0.02 0.00 1.10 0.00 0.00 33.01 31.90 2nml s GLN 9 CO 0.02 -0.99 1.68 -1.35 -0.55 0.00 0.00 175.29 174.10 2nml h PRO 10 N 8.03 -0.11 0.00 1.67 0.11 -1.81 -0.95 132.00 138.94 2nml h PRO 10 Ca -0.13 0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.59 2nml h PRO 10 Cb 1.01 0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.06 2nml h PRO 10 CO 0.47 -0.07 -0.34 0.25 -0.21 0.00 0.00 178.00 178.10 2nml n THR 11 N -5.26 0.00 0.27 -1.15 -2.24 -1.26 -1.69 114.28 102.94 2nml n THR 11 Ca -0.02 -1.73 0.07 0.00 -2.27 0.00 0.00 64.05 60.09 2nml n THR 11 Cb 0.18 0.63 0.30 0.00 -2.10 0.00 0.00 70.33 69.34 2nml n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nml n LYS 12 N -0.66 0.06 -2.12 -0.78 5.02 -1.26 -4.60 118.16 113.82 2nml n LYS 12 Ca -0.04 0.43 -0.43 0.00 -2.02 0.00 0.00 58.31 56.26 2nml n LYS 12 Cb 0.44 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2nml n LYS 12 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nml s ARG 13 N -3.17 3.93 0.44 1.97 1.81 -1.26 -4.89 118.95 117.79 2nml s ARG 13 Ca 0.03 1.78 0.13 0.00 -1.72 0.00 0.00 55.73 55.95 2nml s ARG 13 Cb 0.06 -4.00 0.99 0.00 -0.45 0.00 0.00 34.95 31.56 2nml s ARG 13 CO 0.20 -1.13 2.02 -1.00 -0.68 0.00 0.00 175.30 174.70 2nml h PRO 14 N 10.21 0.12 0.00 3.54 0.13 -2.02 -2.55 132.00 141.43 2nml h PRO 14 Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2nml h PRO 14 Cb 1.15 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2nml h PRO 14 CO 0.99 0.21 0.00 0.39 -0.23 0.00 0.00 178.00 179.36 2nml n GLU 15 N -4.38 0.06 0.00 0.86 4.71 -1.26 -1.98 120.64 118.65 2nml n GLU 15 Ca -0.02 0.41 0.14 0.00 -0.01 0.00 0.00 57.16 57.68 2nml n GLU 15 Cb 0.20 -1.64 0.55 0.00 -1.01 0.00 0.00 31.44 29.53 2nml n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nml n GLY 16 N -0.57 -0.76 3.72 0.62 0.00 -0.96 -4.89 105.19 102.36 2nml n GLY 16 Ca 0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2nml n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nml s ARG 17 N -2.42 4.18 0.20 1.61 0.52 -0.84 -4.41 118.95 117.80 2nml s ARG 17 Ca 0.29 2.45 -0.10 0.00 -0.52 0.00 0.00 55.73 57.85 2nml s ARG 17 Cb 0.20 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.55 2nml s ARG 17 CO 0.47 -0.64 0.37 -0.08 0.02 0.00 0.00 175.30 175.44 2nml s THR 18 N 0.97 0.03 0.16 0.02 -1.32 -0.20 -5.02 115.64 110.28 2nml s THR 18 Ca 0.70 -1.41 -0.06 0.00 -1.21 0.00 0.00 61.69 59.71 2nml s THR 18 Cb -0.46 -2.04 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2nml s THR 18 CO 0.34 -0.13 0.21 -0.72 -2.21 0.00 0.00 174.62 172.11 2nml s TYR 19 N -4.00 0.63 0.01 9.09 1.13 -1.26 -1.04 117.35 121.91 2nml s TYR 19 Ca 0.21 -0.98 -0.18 0.00 -1.41 0.00 0.00 57.07 54.71 2nml s TYR 19 Cb 0.02 -0.23 0.03 0.00 -1.10 0.00 0.00 41.96 40.68 2nml s TYR 19 CO 0.05 -0.66 0.39 0.00 -2.51 0.00 0.00 175.55 172.81 2nml s ALA 20 N -4.02 -0.96 0.16 9.51 0.00 -0.81 -5.00 121.76 120.64 2nml s ALA 20 Ca 0.22 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.62 2nml s ALA 20 Cb 0.05 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 2nml s ALA 20 CO 0.03 -0.37 -0.12 0.16 0.00 0.00 0.00 175.76 175.46 2nml s ASP 21 N -1.68 2.04 0.12 0.00 3.84 -1.26 -0.33 116.67 119.40 2nml s ASP 21 Ca -0.09 -0.99 -0.04 0.00 -0.00 0.00 0.00 52.55 51.43 2nml s ASP 21 Cb -0.02 -0.05 -0.03 0.00 -1.38 0.00 0.00 42.92 41.44 2nml s ASP 21 CO 0.01 -0.26 0.11 -0.31 -0.00 0.00 0.00 175.17 174.72 2nml s TYR 22 N -3.07 0.58 -0.14 2.11 1.51 0.32 -4.99 117.35 113.68 2nml s TYR 22 Ca 0.17 -1.00 0.28 0.00 -1.01 0.00 0.00 57.07 55.52 2nml s TYR 22 Cb 0.01 -0.30 0.87 0.00 -0.11 0.00 0.00 41.96 42.42 2nml s TYR 22 CO 0.03 -0.54 1.80 0.93 -1.11 0.00 0.00 175.55 176.66 2nml h GLU 23 N 2.83 0.00 -3.68 -0.62 5.08 -1.86 -0.24 114.58 116.09 2nml h GLU 23 Ca -0.34 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2nml h GLU 23 Cb 1.19 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 2nml h GLU 23 CO 0.58 0.02 -0.18 -1.54 -1.00 0.00 0.00 179.01 176.88 2nml s SER 24 N -5.96 -0.07 0.14 1.42 1.04 -1.21 -1.68 113.70 107.39 2nml s SER 24 Ca 0.04 -0.78 -0.15 0.00 0.48 0.00 0.00 55.95 55.54 2nml s SER 24 Cb 0.07 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.72 2nml s SER 24 CO 0.61 -0.99 1.69 0.58 0.98 0.00 0.00 173.24 176.10 2nml h VAL 25 N 2.38 1.21 -0.95 5.02 2.07 -1.91 -1.91 116.25 122.16 2nml h VAL 25 Ca -0.30 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2nml h VAL 25 Cb 1.24 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2nml h VAL 25 CO 0.42 0.24 0.62 0.78 0.02 0.00 0.00 177.57 179.65 2nml h ASN 26 N 0.60 1.11 0.16 0.57 2.35 -1.96 0.91 115.58 119.33 2nml h ASN 26 Ca 0.15 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 2nml h ASN 26 Cb 0.21 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2nml h ASN 26 CO -0.01 0.82 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.90 2nml h GLU 27 N 1.30 0.28 -0.28 0.81 5.08 -1.92 -0.57 114.58 119.28 2nml h GLU 27 Ca 0.35 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2nml h GLU 27 Cb -0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2nml h GLU 27 CO -0.07 0.61 -0.10 0.00 -1.00 0.00 0.00 179.01 178.45 2nml h MET 29 N 0.31 1.09 -0.65 0.00 2.86 -0.57 0.04 114.93 118.01 2nml h MET 29 Ca 0.07 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2nml h MET 29 Cb 0.60 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2nml h MET 29 CO 0.03 0.81 0.28 1.49 1.06 0.00 0.00 176.91 180.58 2nml h GLU 30 N 1.09 0.94 -0.88 1.72 4.81 -0.89 -1.83 114.58 119.56 2nml h GLU 30 Ca 0.27 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2nml h GLU 30 Cb 0.04 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2nml h GLU 30 CO -0.04 0.76 0.45 0.78 -0.73 0.00 0.00 179.01 180.23 2nml h GLY 31 N 1.02 1.34 0.99 1.92 0.00 0.52 0.15 103.07 109.00 2nml h GLY 31 Ca 0.22 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 2nml h GLY 31 CO -0.02 0.60 0.10 -2.08 0.00 0.00 0.00 176.54 175.14 2nml h VAL 32 N 1.24 1.25 -0.75 4.60 2.07 -0.52 -1.46 116.25 122.69 2nml h VAL 32 Ca 0.31 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2nml h VAL 32 Cb 0.07 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2nml h VAL 32 CO -0.04 0.33 0.42 0.00 0.02 0.00 0.00 177.57 178.29 2nml h LYS 34 N 1.03 0.32 -0.48 0.00 1.57 -0.72 0.48 116.57 118.77 2nml h LYS 34 Ca 0.26 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2nml h LYS 34 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2nml h LYS 34 CO -0.04 0.48 0.18 1.98 -0.57 0.00 0.00 179.45 181.47 2nml h MET 35 N 0.29 0.73 -0.45 3.15 4.05 -0.62 -0.20 114.93 121.88 2nml h MET 35 Ca 0.06 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 2nml h MET 35 Cb 0.46 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 2nml h MET 35 CO 0.03 0.67 0.00 -0.92 0.23 0.00 0.00 176.91 176.92 2nml h TYR 36 N 0.64 0.87 -0.46 1.39 -0.00 -0.82 -2.50 116.97 116.07 2nml h TYR 36 Ca 0.16 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 2nml h TYR 36 Cb 0.22 -0.23 -0.02 0.00 -0.00 0.00 0.00 36.73 36.70 2nml h TYR 36 CO 0.01 0.84 0.23 0.93 -0.00 0.00 0.00 178.16 180.17 2nml h GLU 37 N 0.64 0.64 -0.52 1.82 5.08 -0.61 -0.06 114.58 121.57 2nml h GLU 37 Ca 0.13 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2nml h GLU 37 Cb 0.49 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2nml h GLU 37 CO 0.02 0.49 -0.11 1.49 -1.00 0.00 0.00 179.01 179.91 2nml h GLU 38 N 0.65 0.98 -0.41 2.33 4.57 -0.82 -0.59 114.58 121.29 2nml h GLU 38 Ca 0.16 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2nml h GLU 38 Cb 0.06 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2nml h GLU 38 CO -0.02 1.03 0.20 1.25 -1.18 0.00 0.00 179.01 180.29 2nml h HIS 39 N 0.88 0.59 -0.63 0.92 2.76 -0.83 -2.12 115.15 116.72 2nml h HIS 39 Ca 0.14 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 2nml h HIS 39 Cb 0.66 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.41 2nml h HIS 39 CO 0.04 0.48 0.25 -0.07 -1.30 0.00 0.00 177.93 177.34 2nml h LEU 40 N 0.52 0.83 -0.81 0.26 3.38 -0.76 -1.46 115.31 117.28 2nml h LEU 40 Ca 0.14 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2nml h LEU 40 Cb 0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2nml h LEU 40 CO -0.02 0.75 0.33 0.11 0.09 0.00 0.00 178.44 179.70 2nml h LYS 41 N 0.90 1.20 -0.25 1.13 1.57 -0.79 -0.21 116.57 120.11 2nml h LYS 41 Ca 0.21 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2nml h LYS 41 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2nml h LYS 41 CO -0.02 0.96 -0.29 0.00 -0.57 0.00 0.00 179.45 179.53 2nml h ARG 42 N 1.17 0.51 -0.00 3.15 3.08 -0.84 -2.10 114.38 119.34 2nml h ARG 42 Ca 0.27 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2nml h ARG 42 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2nml h ARG 42 CO -0.02 0.75 -0.22 -1.33 -1.07 0.00 0.00 179.97 178.07 2nml n MET 43 N -4.09 0.02 -3.18 0.04 2.81 -0.60 -4.03 117.12 108.09 2nml n MET 43 Ca -0.01 -0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.69 2nml n MET 43 Cb 0.44 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 2nml n MET 43 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2nml n ASN 44 N -1.48 0.99 0.06 7.83 3.02 -0.13 -5.00 115.26 120.55 2nml n ASN 44 Ca 0.07 -3.02 0.21 0.00 -0.03 0.00 0.00 54.58 51.80 2nml n ASN 44 Cb 0.34 -0.62 0.74 0.00 -0.61 0.00 0.00 39.78 39.63 2nml n ASN 44 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2nml h PRO 45 N 3.08 0.00 -0.64 3.52 0.13 -1.52 -2.04 132.00 134.52 2nml h PRO 45 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2nml h PRO 45 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2nml h PRO 45 CO 0.52 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.56 2nml n ASN 46 N -3.87 5.09 -4.20 1.44 6.94 -1.26 -4.84 115.26 114.56 2nml n ASN 46 Ca 0.08 -2.58 -0.36 0.00 -0.02 0.00 0.00 54.58 51.71 2nml n ASN 46 Cb 0.63 -0.62 -0.13 0.00 -2.36 0.00 0.00 39.78 37.30 2nml n ASN 46 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2nml s SER 47 N -0.87 4.95 0.18 0.53 0.01 -0.77 -4.96 113.70 112.77 2nml s SER 47 Ca 0.53 -1.20 0.25 0.00 1.31 0.00 0.00 55.95 56.85 2nml s SER 47 Cb 0.36 -1.75 0.90 0.00 0.21 0.00 0.00 66.02 65.74 2nml s SER 47 CO 0.23 -0.26 1.77 -0.81 0.41 0.00 0.00 173.24 174.57 2nml n PRO 48 N 4.67 0.19 -3.96 12.44 -0.04 -1.26 -4.57 135.00 142.48 2nml n PRO 48 Ca -0.13 0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.26 2nml n PRO 48 Cb 0.44 -1.76 -0.16 0.00 -0.04 0.00 0.00 33.50 31.98 2nml n PRO 48 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2nml s SER 49 N -4.16 3.84 -0.18 3.54 0.01 -1.26 -5.11 113.70 110.38 2nml s SER 49 Ca 0.09 -1.15 -0.08 0.00 1.31 0.00 0.00 55.95 56.12 2nml s SER 49 Cb 0.12 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 2nml s SER 49 CO 0.52 -0.22 0.10 -0.63 0.41 0.00 0.00 173.24 173.43 2nml s ILE 50 N 1.36 5.17 0.04 1.44 1.09 -1.26 -5.10 121.20 123.95 2nml s ILE 50 Ca -0.05 0.10 0.05 0.00 -1.10 0.00 0.00 60.65 59.65 2nml s ILE 50 Cb -0.19 -3.33 -0.02 0.00 -1.06 0.00 0.00 42.46 37.86 2nml s ILE 50 CO -0.06 0.48 -0.16 0.28 -0.10 0.00 0.00 174.94 175.38 2nml s THR 51 N 0.10 1.25 0.14 2.92 -1.32 -1.26 -5.15 115.64 112.32 2nml s THR 51 Ca 0.08 -1.05 -0.18 0.00 -1.21 0.00 0.00 61.69 59.32 2nml s THR 51 Cb -0.12 -1.12 0.05 0.00 -1.51 0.00 0.00 72.50 69.80 2nml s THR 51 CO -0.00 0.05 0.47 -0.72 -2.21 0.00 0.00 174.62 172.21 2nml s TYR 52 N -0.84 -0.30 0.29 9.09 1.13 -1.26 -5.17 117.35 120.29 2nml s TYR 52 Ca 0.03 0.01 0.06 0.00 -1.41 0.00 0.00 57.07 55.76 2nml s TYR 52 Cb -0.08 0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 41.12 2nml s TYR 52 CO 0.01 -0.76 0.39 0.16 -2.51 0.00 0.00 175.55 172.84 2nml s ASP 53 N -2.79 6.03 0.35 -0.18 3.84 -1.26 -5.01 116.67 117.64 2nml s ASP 53 Ca 0.03 -0.11 0.07 0.00 -0.00 0.00 0.00 52.55 52.54 2nml s ASP 53 Cb 0.01 -1.49 0.75 0.00 -1.38 0.00 0.00 42.92 40.81 2nml s ASP 53 CO -0.12 -0.24 1.89 -0.29 -0.00 0.00 0.00 175.17 176.42 2nml h ILE 54 N 1.09 0.91 -0.19 2.11 6.09 -2.02 -2.02 117.51 123.49 2nml h ILE 54 Ca -0.49 -0.26 -0.04 0.00 -1.37 0.00 0.00 64.86 62.70 2nml h ILE 54 Cb 1.24 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 2nml h ILE 54 CO 0.57 0.14 -0.06 0.77 -3.07 0.00 0.00 178.15 176.50 2nml h SER 55 N 0.76 0.27 -0.08 2.19 4.64 -1.99 -1.02 113.55 118.32 2nml h SER 55 Ca 0.41 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.52 2nml h SER 55 Cb 0.53 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2nml h SER 55 CO -0.17 0.37 -0.51 1.56 -0.87 0.00 0.00 176.83 177.21 2nml h GLN 56 N 0.28 0.65 -0.45 4.77 4.20 -1.77 -0.57 115.11 122.23 2nml h GLN 56 Ca 0.06 -0.39 -0.13 0.00 0.06 0.00 0.00 58.65 58.25 2nml h GLN 56 Cb 0.29 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2nml h GLN 56 CO 0.01 1.00 -0.23 1.25 -0.67 0.00 0.00 178.83 180.20 2nml h LEU 57 N 0.51 0.94 -0.74 1.46 5.85 -1.35 -1.70 115.31 120.28 2nml h LEU 57 Ca 0.02 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2nml h LEU 57 Cb 1.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2nml h LEU 57 CO 0.10 1.13 0.25 -0.26 -0.34 0.00 0.00 178.44 179.32 2nml h PHE 58 N 0.79 1.17 -0.77 1.25 -1.00 -0.99 -1.38 116.94 116.01 2nml h PHE 58 Ca 0.10 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 2nml h PHE 58 Cb 0.79 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 2nml h PHE 58 CO 0.05 0.92 0.34 -0.44 -1.61 0.00 0.00 178.31 177.57 2nml h ASP 59 N 1.09 1.03 -0.33 2.17 3.32 -0.84 -0.90 116.42 121.96 2nml h ASP 59 Ca 0.24 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.14 2nml h ASP 59 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2nml h ASP 59 CO -0.01 0.90 0.21 0.15 -1.72 0.00 0.00 179.24 178.77 2nml h PHE 60 N 1.10 0.40 -0.81 4.55 3.57 -0.90 -1.74 116.94 123.11 2nml h PHE 60 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 2nml h PHE 60 Cb 0.16 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2nml h PHE 60 CO 0.01 0.25 0.44 0.82 -2.23 0.00 0.00 178.31 177.60 2nml h ILE 61 N 0.44 1.24 -0.38 1.41 2.04 -0.91 -2.25 117.51 119.10 2nml h ILE 61 Ca 0.12 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2nml h ILE 61 Cb -0.04 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2nml h ILE 61 CO -0.04 0.27 0.13 0.44 0.00 0.00 0.00 178.15 178.96 2nml h ASP 62 N 1.13 0.49 1.31 1.72 3.32 -0.69 -2.53 116.42 121.18 2nml h ASP 62 Ca 0.29 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2nml h ASP 62 Cb 0.05 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2nml h ASP 62 CO -0.04 0.47 -0.06 0.44 -1.72 0.00 0.00 179.24 178.33 2nml h ASP 63 N 0.54 0.00 -3.93 6.45 3.32 -0.73 -3.45 116.42 118.63 2nml h ASP 63 Ca 0.13 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.65 2nml h ASP 63 Cb 0.14 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.78 2nml h ASP 63 CO -0.01 0.06 0.65 -0.76 -1.72 0.00 0.00 179.24 177.46 2nml s LEU 64 N -6.30 4.29 0.30 1.55 1.43 -0.95 -4.90 118.68 114.09 2nml s LEU 64 Ca 0.03 2.75 -0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2nml s LEU 64 Cb 0.08 -3.79 0.46 0.00 0.03 0.00 0.00 46.19 42.97 2nml s LEU 64 CO 0.60 -0.79 1.87 0.00 0.23 0.00 0.00 176.35 178.26 2nml h ALA 65 N 2.91 1.30 -2.12 4.21 0.00 -0.39 -3.44 119.26 121.72 2nml h ALA 65 Ca -0.50 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 2nml h ALA 65 Cb 1.24 -0.22 -0.22 0.00 0.00 0.00 0.00 17.79 18.59 2nml h ALA 65 CO 0.64 0.51 0.03 0.34 0.00 0.00 0.00 179.25 180.77 2nml s ASP 66 N -6.56 -0.76 -0.16 0.00 2.15 -0.45 -4.99 116.67 105.89 2nml s ASP 66 Ca -0.10 1.37 -0.07 0.00 0.43 0.00 0.00 52.55 54.18 2nml s ASP 66 Cb 0.16 1.33 0.07 0.00 -0.30 0.00 0.00 42.92 44.18 2nml s ASP 66 CO 0.79 -0.23 0.36 -0.22 -0.17 0.00 0.00 175.17 175.70 2nml s LEU 67 N 0.79 -0.26 0.28 -1.34 2.96 -1.26 -0.98 118.68 118.86 2nml s LEU 67 Ca -0.04 0.82 -0.17 0.00 -0.22 0.00 0.00 54.13 54.52 2nml s LEU 67 Cb -0.05 1.14 0.01 0.00 0.50 0.00 0.00 46.19 47.79 2nml s LEU 67 CO -0.06 -0.21 0.63 -0.94 -1.32 0.00 0.00 176.35 174.45 2nml s SER 68 N 2.01 -0.16 0.18 3.68 1.04 -0.80 -3.25 113.70 116.40 2nml s SER 68 Ca -0.05 -0.78 -0.09 0.00 0.48 0.00 0.00 55.95 55.52 2nml s SER 68 Cb -0.11 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 2nml s SER 68 CO -0.11 -1.29 0.29 0.00 0.98 0.00 0.00 173.24 173.10 2nml s LEU 70 N -2.99 1.38 -0.15 0.00 1.43 0.18 -1.21 118.68 117.32 2nml s LEU 70 Ca 0.20 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2nml s LEU 70 Cb 0.03 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 2nml s LEU 70 CO 0.02 -0.04 -0.15 -0.69 0.23 0.00 0.00 176.35 175.72 2nml s VAL 71 N 1.09 2.76 0.26 -1.59 1.01 -0.14 -0.50 120.40 123.29 2nml s VAL 71 Ca -0.07 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 2nml s VAL 71 Cb -0.14 -2.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.98 2nml s VAL 71 CO -0.01 0.52 1.42 -0.47 0.00 0.00 0.00 175.10 176.56 2nml s TYR 72 N 0.70 3.02 -0.23 5.22 6.14 -0.12 -0.18 117.35 131.90 2nml s TYR 72 Ca -0.07 1.08 0.01 0.00 0.64 0.00 0.00 57.07 58.73 2nml s TYR 72 Cb -0.16 -3.80 0.04 0.00 0.42 0.00 0.00 41.96 38.46 2nml s TYR 72 CO 0.02 -2.56 -0.13 1.03 0.64 0.00 0.00 175.55 174.55 2nml s ARG 73 N -0.56 2.65 0.41 4.97 1.81 0.31 -4.74 118.95 123.81 2nml s ARG 73 Ca 0.58 -1.07 0.11 0.00 -1.72 0.00 0.00 55.73 53.62 2nml s ARG 73 Cb -0.42 -2.81 0.88 0.00 -0.45 0.00 0.00 34.95 32.15 2nml s ARG 73 CO 0.45 -0.40 1.97 0.00 -0.68 0.00 0.00 175.30 176.63 2nml h ALA 74 N 7.89 1.61 -0.85 2.13 0.00 -1.95 0.38 119.26 128.47 2nml h ALA 74 Ca -0.32 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2nml h ALA 74 Cb 1.09 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2nml h ALA 74 CO 0.55 0.29 0.56 -0.44 0.00 0.00 0.00 179.25 180.21 2nml h ASP 75 N 0.20 0.94 -0.00 0.00 5.19 -1.95 -3.18 116.42 117.62 2nml h ASP 75 Ca 0.04 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2nml h ASP 75 Cb 0.28 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2nml h ASP 75 CO 0.01 0.66 -0.33 0.35 -3.12 0.00 0.00 179.24 176.82 2nml n THR 76 N -4.43 0.00 -3.60 0.35 -2.24 -1.13 -5.01 114.28 98.22 2nml n THR 76 Ca 0.11 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 61.32 2nml n THR 76 Cb 0.08 1.00 0.07 0.00 -2.10 0.00 0.00 70.33 69.38 2nml n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nml n GLN 77 N -1.14 -7.30 -4.30 -0.78 6.02 0.13 -5.00 117.38 105.01 2nml n GLN 77 Ca 0.01 0.80 -0.18 0.00 -0.01 0.00 0.00 57.00 57.62 2nml n GLN 77 Cb 0.11 -5.81 -0.09 0.00 1.02 0.00 0.00 30.24 25.47 2nml n GLN 77 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2nml s THR 78 N -3.34 0.19 -0.20 5.09 -4.23 -1.15 -4.96 115.64 107.03 2nml s THR 78 Ca 0.45 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.89 2nml s THR 78 Cb -0.20 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 2nml s THR 78 CO 0.74 0.00 0.03 -0.31 -0.54 0.00 0.00 174.62 174.55 2nml s TYR 79 N -3.65 3.10 -0.14 3.99 2.02 -1.26 -0.53 117.35 120.88 2nml s TYR 79 Ca 0.37 -0.30 -0.25 0.00 -0.37 0.00 0.00 57.07 56.53 2nml s TYR 79 Cb 0.05 -2.11 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2nml s TYR 79 CO 0.19 -0.15 0.79 -1.14 -1.57 0.00 0.00 175.55 173.67 2nml s GLN 80 N 0.94 4.33 0.21 -0.62 2.00 0.75 -4.77 119.66 122.51 2nml s GLN 80 Ca 0.02 0.97 -0.23 0.00 -2.00 0.00 0.00 55.36 54.12 2nml s GLN 80 Cb -0.14 -3.54 -0.08 0.00 0.80 0.00 0.00 33.01 30.04 2nml s GLN 80 CO 0.02 -0.23 0.78 -1.25 -0.50 0.00 0.00 175.29 174.12 2nml s PRO 81 N 1.80 4.46 0.01 1.67 0.04 -1.26 -0.97 135.00 140.75 2nml s PRO 81 Ca 0.38 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.52 2nml s PRO 81 Cb -0.17 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 2nml s PRO 81 CO 0.14 0.46 -0.07 0.71 0.04 0.00 0.00 177.00 178.29 2nml s TYR 82 N -1.36 0.59 0.46 0.56 2.02 -0.35 -4.99 117.35 114.27 2nml s TYR 82 Ca 0.41 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.90 2nml s TYR 82 Cb -0.20 -0.36 0.09 0.00 -0.40 0.00 0.00 41.96 41.08 2nml s TYR 82 CO 0.24 -0.03 0.63 0.27 -1.57 0.00 0.00 175.55 175.09 2nml n ASN 83 N 2.43 1.12 -0.26 2.29 2.04 -1.26 -1.91 115.26 119.71 2nml n ASN 83 Ca -0.16 -1.88 0.04 0.00 -0.44 0.00 0.00 54.58 52.14 2nml n ASN 83 Cb 0.57 -0.38 0.18 0.00 -2.53 0.00 0.00 39.78 37.61 2nml n ASN 83 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 2nml h LYS 84 N 0.00 0.48 -0.86 -3.83 1.57 -1.96 -2.01 116.57 109.96 2nml h LYS 84 Ca -0.21 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 2nml h LYS 84 Cb 0.84 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 2nml h LYS 84 CO 0.25 0.32 0.43 -0.44 -0.57 0.00 0.00 179.45 179.44 2nml h ASP 85 N 0.49 1.10 -0.60 0.86 3.32 -1.95 0.33 116.42 119.98 2nml h ASP 85 Ca 0.40 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2nml h ASP 85 Cb 0.57 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2nml h ASP 85 CO -0.37 0.91 0.09 -0.25 -1.72 0.00 0.00 179.24 177.90 2nml h TRP 86 N 1.21 1.06 -0.34 4.55 7.01 -1.78 -1.80 115.95 125.86 2nml h TRP 86 Ca 0.30 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 2nml h TRP 86 Cb 0.08 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 2nml h TRP 86 CO 0.01 0.92 0.12 0.82 -2.79 0.00 0.00 178.44 177.52 2nml h ILE 87 N 0.90 1.20 -0.57 2.65 2.04 -0.88 -0.77 117.51 122.08 2nml h ILE 87 Ca 0.18 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.46 2nml h ILE 87 Cb 0.43 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2nml h ILE 87 CO 0.01 0.22 0.29 0.11 0.00 0.00 0.00 178.15 178.78 2nml h LYS 88 N 0.39 0.53 -0.57 2.37 1.57 -0.76 -0.83 116.57 119.28 2nml h LYS 88 Ca 0.11 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2nml h LYS 88 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2nml h LYS 88 CO -0.01 0.35 0.02 0.93 -0.57 0.00 0.00 179.45 180.17 2nml h GLU 89 N 0.54 0.96 -0.05 3.15 4.39 -1.01 -1.34 114.58 121.22 2nml h GLU 89 Ca 0.26 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 2nml h GLU 89 Cb 0.19 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2nml h GLU 89 CO -0.19 0.94 -0.46 0.87 -1.16 0.00 0.00 179.01 179.01 2nml h LYS 90 N 0.89 0.11 -0.37 2.33 1.79 -0.69 -2.02 116.57 118.60 2nml h LYS 90 Ca 0.17 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.42 2nml h LYS 90 Cb 0.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2nml h LYS 90 CO 0.02 0.56 -0.41 0.82 -1.08 0.00 0.00 179.45 179.36 2nml h ILE 91 N 0.09 1.27 -0.17 1.86 2.04 -0.88 -2.00 117.51 119.72 2nml h ILE 91 Ca 0.00 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.29 2nml h ILE 91 Cb 0.86 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2nml h ILE 91 CO 0.07 0.53 0.10 0.22 0.00 0.00 0.00 178.15 179.06 2nml h TYR 92 N 0.76 0.19 -0.37 1.37 5.03 -0.87 0.92 116.97 123.99 2nml h TYR 92 Ca 0.06 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.33 2nml h TYR 92 Cb 1.00 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.21 2nml h TYR 92 CO 0.06 0.11 0.07 -0.39 -1.32 0.00 0.00 178.16 176.70 2nml h VAL 93 N 0.21 1.18 0.02 1.81 -1.51 -1.33 -0.36 116.25 116.27 2nml h VAL 93 Ca 0.07 -0.65 -0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2nml h VAL 93 Cb -0.01 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 2nml h VAL 93 CO -0.03 0.23 -0.01 0.25 -1.23 0.00 0.00 177.57 176.78 2nml h LEU 94 N 0.53 -0.02 -0.84 4.19 5.85 -0.75 -2.30 115.31 121.98 2nml h LEU 94 Ca 0.12 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 2nml h LEU 94 Cb 0.24 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2nml h LEU 94 CO -0.00 0.39 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.39 2nml h LEU 95 N -0.43 0.81 -0.81 2.25 3.38 -0.63 -1.54 115.31 118.34 2nml h LEU 95 Ca -0.00 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 2nml h LEU 95 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2nml h LEU 95 CO 0.00 0.89 -0.41 0.08 0.09 0.00 0.00 178.44 179.10 2nml h ARG 96 N 0.77 0.38 -0.18 1.13 0.11 -1.11 -1.93 114.38 113.56 2nml h ARG 96 Ca 0.14 -0.19 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 2nml h ARG 96 Cb 0.51 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.59 2nml h ARG 96 CO 0.03 0.73 -0.27 -0.09 0.10 0.00 0.00 179.97 180.47 2nml h ARG 97 N 0.32 0.50 0.00 0.08 2.43 -1.15 -2.01 114.38 114.55 2nml h ARG 97 Ca 0.03 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2nml h ARG 97 Cb 0.86 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2nml h ARG 97 CO 0.07 0.89 -0.12 1.96 -1.51 0.00 0.00 179.97 181.27 2nml h GLN 98 N 0.15 0.00 -0.06 0.20 4.20 -1.20 0.25 115.11 118.65 2nml h GLN 98 Ca 0.02 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.48 2nml h GLN 98 Cb 0.85 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.64 2nml h GLN 98 CO 0.06 0.12 -0.92 0.00 -0.67 0.00 0.00 178.83 177.42 2nml h ALA 99 N 1.88 0.24 -0.00 3.87 0.00 -1.14 -3.18 119.26 120.94 2nml h ALA 99 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2nml h ALA 99 Cb 0.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2nml h ALA 99 CO 0.02 0.70 -0.15 0.00 0.00 0.00 0.00 179.25 179.81 2nml n GLN 100 N -3.87 0.73 0.00 0.00 10.64 -0.77 -5.10 117.38 119.00 2nml n GLN 100 Ca -0.09 -0.31 0.15 0.00 -1.83 0.00 0.00 57.00 54.92 2nml n GLN 100 Cb 0.82 -1.49 0.79 0.00 -0.86 0.00 0.00 30.24 29.49 2nml n GLN 100 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27