#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jto s ILE 7 N 0.00 1.61 0.10 1.39 1.01 -1.26 -1.24 121.20 122.81 3jto s ILE 7 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.04 3jto s ILE 7 Cb 0.00 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3jto s ILE 7 CO 0.00 0.46 -0.23 -0.31 0.00 0.00 0.00 174.94 174.86 3jto s TYR 8 N 1.05 2.01 0.12 3.97 4.12 -0.81 -3.62 117.35 124.19 3jto s TYR 8 Ca -0.04 -0.40 0.07 0.00 0.02 0.00 0.00 57.07 56.71 3jto s TYR 8 Cb -0.15 -1.11 -0.04 0.00 -1.52 0.00 0.00 41.96 39.14 3jto s TYR 8 CO -0.03 0.24 -0.06 1.14 0.02 0.00 0.00 175.55 176.85 3jto s GLN 9 N -1.85 2.26 0.05 -0.62 -2.07 -0.41 -0.53 119.66 116.50 3jto s GLN 9 Ca 0.09 -1.03 0.05 0.00 -1.82 0.00 0.00 55.36 52.66 3jto s GLN 9 Cb -0.10 -2.35 -0.02 0.00 -1.09 0.00 0.00 33.01 29.45 3jto s GLN 9 CO 0.04 0.50 -0.15 -0.06 -1.32 0.00 0.00 175.29 174.30 3jto s PHE 10 N -1.39 1.30 0.21 9.60 0.08 0.92 -1.16 117.98 127.55 3jto s PHE 10 Ca 0.24 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 3jto s PHE 10 Cb -0.11 -0.76 0.17 0.00 -0.57 0.00 0.00 43.02 41.75 3jto s PHE 10 CO 0.16 0.05 1.74 1.25 -0.10 0.00 0.00 175.22 178.33 3jto h HIS 11 N 4.74 1.15 -3.86 0.36 -0.00 -1.86 -3.19 115.15 112.48 3jto h HIS 11 Ca -0.39 -0.12 -0.23 0.00 -0.00 0.00 0.00 60.37 59.62 3jto h HIS 11 Cb 1.18 -0.33 -0.15 0.00 -0.00 0.00 0.00 27.41 28.11 3jto h HIS 11 CO 0.56 0.93 -0.69 0.45 -0.00 0.00 0.00 177.93 179.18 3jto s SER 12 N -6.46 1.07 0.34 3.26 0.15 -1.26 -4.81 113.70 105.99 3jto s SER 12 Ca -0.12 -1.06 0.26 0.00 0.70 0.00 0.00 55.95 55.74 3jto s SER 12 Cb 0.15 0.12 1.03 0.00 -1.71 0.00 0.00 66.02 65.61 3jto s SER 12 CO 0.84 -0.51 1.79 0.15 1.20 0.00 0.00 173.24 176.70 3jto h PHE 13 N 2.91 0.00 -0.16 3.44 3.57 -1.97 -2.80 116.94 121.94 3jto h PHE 13 Ca -0.35 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.03 3jto h PHE 13 Cb 1.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3jto h PHE 13 CO 0.56 0.00 -0.39 1.49 -2.23 0.00 0.00 178.31 177.74 3jto h GLU 14 N 0.00 0.36 -0.54 1.11 4.57 -1.99 -2.71 114.58 115.37 3jto h GLU 14 Ca 0.00 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 3jto h GLU 14 Cb 0.48 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3jto h GLU 14 CO 0.00 0.70 0.08 -0.44 -1.18 0.00 0.00 179.01 178.17 3jto h ASP 15 N 0.30 0.81 -0.17 1.04 3.32 -1.84 -1.56 116.42 118.32 3jto h ASP 15 Ca 0.03 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 3jto h ASP 15 Cb 0.83 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3jto h ASP 15 CO 0.07 0.82 -0.05 0.40 -1.72 0.00 0.00 179.24 178.76 3jto h ILE 16 N 0.81 1.20 -0.18 0.35 2.04 -1.59 -2.77 117.51 117.37 3jto h ILE 16 Ca 0.17 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 3jto h ILE 16 Cb 0.37 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3jto h ILE 16 CO 0.01 0.28 -0.01 0.40 0.00 0.00 0.00 178.15 178.83 3jto h ILE 17 N 0.45 1.26 -0.97 -0.67 2.04 -1.01 -2.90 117.51 115.71 3jto h ILE 17 Ca 0.09 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.14 3jto h ILE 17 Cb 0.38 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 3jto h ILE 17 CO 0.02 0.27 0.63 1.56 0.00 0.00 0.00 178.15 180.62 3jto h GLN 18 N 0.07 1.06 -0.43 2.37 4.20 -1.21 -3.08 115.11 118.10 3jto h GLN 18 Ca 0.05 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 3jto h GLN 18 Cb 0.40 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3jto h GLN 18 CO 0.01 0.70 -0.27 1.25 -0.67 0.00 0.00 178.83 179.85 3jto h LEU 19 N 1.09 0.94 -2.00 1.46 5.85 -1.33 -3.26 115.31 118.07 3jto h LEU 19 Ca 0.43 -0.37 0.33 0.00 0.84 0.00 0.00 57.88 59.11 3jto h LEU 19 Cb 0.24 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3jto h LEU 19 CO -0.18 1.15 0.82 0.28 -0.34 0.00 0.00 178.44 180.17 3jto h SER 20 N 0.77 0.00 0.60 1.25 0.02 -1.42 0.02 113.55 114.79 3jto h SER 20 Ca 0.09 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3jto h SER 20 Cb 0.83 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.38 3jto h SER 20 CO 0.07 0.00 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.14 3jto h GLU 21 N 0.00 -0.77 -0.87 3.45 4.39 -1.76 -1.41 114.58 117.61 3jto h GLU 21 Ca 0.54 0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.47 3jto h GLU 21 Cb 2.18 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 30.94 3jto h GLU 21 CO -0.01 -0.46 0.57 0.77 -1.16 0.00 0.00 179.01 178.72 3jto h SER 22 N -1.04 0.49 1.30 1.42 0.02 -1.20 -0.94 113.55 113.59 3jto h SER 22 Ca -0.08 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3jto h SER 22 Cb 0.67 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3jto h SER 22 CO 0.13 0.22 -0.72 -0.07 -1.14 0.00 0.00 176.83 175.26 3jto h LEU 23 N 0.51 0.00 -0.32 5.07 3.38 -1.44 -3.16 115.31 119.35 3jto h LEU 23 Ca 0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 3jto h LEU 23 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3jto h LEU 23 CO -0.18 0.61 -0.54 -0.61 0.09 0.00 0.00 178.44 177.80 3jto h GLN 24 N 0.00 0.00 0.00 1.13 4.15 -0.06 -0.31 115.11 120.02 3jto h GLN 24 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3jto h GLN 24 Cb 1.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.18 3jto h GLN 24 CO 0.08 0.54 0.00 0.54 -1.93 0.00 0.00 178.83 178.06 3jto n ARG 25 N -3.36 0.28 -1.68 1.69 3.00 -0.53 -2.98 116.66 113.10 3jto n ARG 25 Ca 0.01 0.11 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 3jto n ARG 25 Cb 0.69 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.72 3jto n ARG 25 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3jto n ILE 26 N -1.23 1.03 0.00 0.55 -5.35 -1.05 -4.99 119.36 108.31 3jto n ILE 26 Ca 0.09 -2.26 0.00 0.00 -0.27 0.00 0.00 62.75 60.31 3jto n ILE 26 Cb 0.11 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 3jto n ILE 26 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jto n GLY 27 N -0.22 2.89 3.62 3.28 0.00 -1.16 -4.93 105.19 108.67 3jto n GLY 27 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3jto n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jto s ILE 28 N -0.82 3.35 -0.01 -0.61 -1.09 -0.15 -4.78 121.20 117.08 3jto s ILE 28 Ca 0.00 0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.82 3jto s ILE 28 Cb 0.00 -3.39 0.03 0.00 -1.58 0.00 0.00 42.46 37.52 3jto s ILE 28 CO 0.00 -0.19 0.87 0.35 -1.23 0.00 0.00 174.94 174.74 3jto n THR 29 N 6.87 0.27 -2.35 2.92 -2.24 -1.26 -3.34 114.28 115.14 3jto n THR 29 Ca 0.23 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3jto n THR 29 Cb 0.45 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3jto n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jto n GLY 30 N -0.19 4.74 0.00 3.38 0.00 -1.26 -3.31 105.19 108.55 3jto n GLY 30 Ca 0.02 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3jto n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jto n GLY 31 N 5.00 2.76 3.15 -0.02 0.00 -1.19 -2.56 105.19 112.33 3jto n GLY 31 Ca 0.00 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.90 3jto n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jto s THR 32 N -2.63 1.35 -0.25 2.61 2.01 0.03 -0.65 115.64 118.12 3jto s THR 32 Ca 0.00 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 3jto s THR 32 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 3jto s THR 32 CO 0.00 0.39 0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 3jto s VAL 33 N -0.26 4.49 -0.01 3.82 1.01 -0.52 -0.39 120.40 128.54 3jto s VAL 33 Ca 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3jto s VAL 33 Cb -0.08 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3jto s VAL 33 CO 0.00 0.34 -0.02 -0.31 0.00 0.00 0.00 175.10 175.11 3jto s TYR 34 N 1.51 3.01 -0.31 5.22 2.02 0.33 -0.10 117.35 129.03 3jto s TYR 34 Ca 0.06 0.04 -0.07 0.00 -0.37 0.00 0.00 57.07 56.73 3jto s TYR 34 Cb -0.15 -1.65 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 3jto s TYR 34 CO 0.04 0.43 0.10 -1.58 -1.57 0.00 0.00 175.55 172.97 3jto s HIS 35 N -1.04 3.18 -0.09 2.71 5.65 0.67 0.15 115.29 126.52 3jto s HIS 35 Ca 0.18 -1.05 -0.01 0.00 0.25 0.00 0.00 55.06 54.44 3jto s HIS 35 Cb -0.11 -2.28 0.03 0.00 -1.18 0.00 0.00 32.58 29.03 3jto s HIS 35 CO 0.09 -0.61 -0.04 -0.47 -0.65 0.00 0.00 174.74 173.06 3jto s TYR 36 N 1.49 1.07 -1.02 3.88 5.04 -0.47 0.41 117.35 127.75 3jto s TYR 36 Ca 0.02 -0.44 -0.12 0.00 -2.44 0.00 0.00 57.07 54.09 3jto s TYR 36 Cb -0.18 -0.99 -0.02 0.00 0.35 0.00 0.00 41.96 41.12 3jto s TYR 36 CO 0.03 -0.39 0.78 -3.47 -1.34 0.00 0.00 175.55 171.16 3jto n ASP 37 N 4.90 -6.00 -3.63 4.32 2.03 -1.26 -3.50 116.55 113.41 3jto n ASP 37 Ca -0.12 -0.78 -0.29 0.00 0.52 0.00 0.00 54.79 54.12 3jto n ASP 37 Cb 0.50 -3.91 0.02 0.00 -0.72 0.00 0.00 41.12 37.01 3jto n ASP 37 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jto n GLY 38 N -1.60 -0.71 0.00 0.27 0.00 -1.26 -4.98 105.19 96.91 3jto n GLY 38 Ca -0.09 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3jto n GLY 38 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jto n GLN 39 N -1.54 0.00 -4.78 1.61 6.02 -1.23 -5.13 117.38 112.33 3jto n GLN 39 Ca -0.20 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.46 3jto n GLN 39 Cb 0.68 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.81 3jto n GLN 39 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3jto s TYR 40 N -2.00 2.80 -0.03 1.08 2.02 -1.21 -1.37 117.35 118.65 3jto s TYR 40 Ca 0.00 -0.25 0.04 0.00 -0.37 0.00 0.00 57.07 56.50 3jto s TYR 40 Cb 0.00 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3jto s TYR 40 CO 0.00 0.11 -0.16 -0.06 -1.57 0.00 0.00 175.55 173.87 3jto s PHE 41 N -0.41 1.49 -0.20 2.71 0.08 0.38 -0.06 117.98 121.98 3jto s PHE 41 Ca 0.05 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.72 3jto s PHE 41 Cb -0.12 -0.98 -0.01 0.00 -0.57 0.00 0.00 43.02 41.33 3jto s PHE 41 CO 0.02 -0.08 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.83 3jto s LEU 42 N -0.16 2.91 -0.27 -0.37 2.96 0.31 0.12 118.68 124.17 3jto s LEU 42 Ca 0.02 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 3jto s LEU 42 Cb -0.08 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3jto s LEU 42 CO 0.00 0.02 0.08 -0.55 -1.32 0.00 0.00 176.35 174.59 3jto s SER 43 N 1.21 5.15 -0.23 3.68 0.15 0.48 -1.93 113.70 122.21 3jto s SER 43 Ca 0.02 -0.45 -0.09 0.00 0.70 0.00 0.00 55.95 56.13 3jto s SER 43 Cb -0.14 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 3jto s SER 43 CO -0.01 -0.12 0.12 -0.76 1.20 0.00 0.00 173.24 173.67 3jto s LEU 44 N 1.57 3.89 0.00 3.45 1.43 -0.38 -0.79 118.68 127.85 3jto s LEU 44 Ca 0.05 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3jto s LEU 44 Cb -0.16 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3jto s LEU 44 CO 0.03 0.05 0.00 -0.62 0.23 0.00 0.00 176.35 176.04 3jto n GLU 45 N 4.37 0.00 -3.67 1.70 4.71 -1.26 -1.73 120.64 124.76 3jto n GLU 45 Ca -0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 56.88 3jto n GLU 45 Cb 0.52 -0.25 -0.12 0.00 -1.01 0.00 0.00 31.44 30.58 3jto n GLU 45 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3jto s ASP 46 N -1.00 0.06 -0.37 1.62 1.01 -1.26 -4.67 116.67 112.06 3jto s ASP 46 Ca 0.00 0.75 0.13 0.00 0.71 0.00 0.00 52.55 54.14 3jto s ASP 46 Cb 0.00 0.92 0.41 0.00 1.01 0.00 0.00 42.92 45.26 3jto s ASP 46 CO 0.00 -0.23 1.10 0.18 0.21 0.00 0.00 175.17 176.43 3jto n LEU 47 N 5.25 -0.24 0.00 1.23 4.77 -1.26 -5.01 117.00 121.74 3jto n LEU 47 Ca -0.09 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.16 3jto n LEU 47 Cb 0.50 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3jto n LEU 47 CO 0.03 1.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.50 3jto n GLY 48 N -0.20 2.26 3.70 -0.72 0.00 -1.26 -4.67 105.19 104.30 3jto n GLY 48 Ca 0.06 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3jto n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jto s SER 49 N 0.12 6.97 -0.13 1.61 0.01 -1.26 -4.88 113.70 116.13 3jto s SER 49 Ca 0.00 2.04 0.11 0.00 1.31 0.00 0.00 55.95 59.40 3jto s SER 49 Cb 0.00 -2.57 -0.23 0.00 0.21 0.00 0.00 66.02 63.43 3jto s SER 49 CO 0.00 -0.60 0.33 1.41 0.41 0.00 0.00 173.24 174.79 3jto n HIS 50 N 4.66 0.59 1.05 2.43 8.25 -1.26 -3.63 115.22 127.31 3jto n HIS 50 Ca 0.11 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3jto n HIS 50 Cb 0.45 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.46 3jto n HIS 50 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3jto n THR 51 N -3.03 0.00 0.33 1.59 -2.24 -1.26 -3.98 114.28 105.68 3jto n THR 51 Ca -0.27 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.65 3jto n THR 51 Cb 1.08 -0.23 0.75 0.00 -2.10 0.00 0.00 70.33 69.84 3jto n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jto h ALA 52 N 2.05 1.36 0.00 6.98 0.00 -1.95 0.43 119.26 128.13 3jto h ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jto h ALA 52 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3jto h ALA 52 CO 0.00 -0.36 0.00 0.39 0.00 0.00 0.00 179.25 179.28 3jto n GLU 53 N -2.83 0.91 -0.02 0.00 1.02 -1.26 -1.05 120.64 117.42 3jto n GLU 53 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.19 3jto n GLU 53 Cb 0.41 -1.36 -0.16 0.00 -0.02 0.00 0.00 31.44 30.31 3jto n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jto n GLY 54 N 0.71 -1.03 0.32 0.62 0.00 0.15 -4.20 105.19 101.77 3jto n GLY 54 Ca 0.16 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 3jto n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3jto h VAL 55 N 0.00 1.25 0.00 1.61 2.07 -1.15 0.16 116.25 120.19 3jto h VAL 55 Ca -0.12 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3jto h VAL 55 Cb 1.27 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3jto h VAL 55 CO 0.01 0.34 0.00 0.58 0.02 0.00 0.00 177.57 178.52 3jto h VAL 56 N 1.02 0.00 0.20 2.57 2.07 -1.67 0.59 116.25 121.03 3jto h VAL 56 Ca 0.22 -0.14 -0.32 0.00 0.82 0.00 0.00 66.70 67.28 3jto h VAL 56 Cb 0.29 1.03 0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3jto h VAL 56 CO -0.01 0.00 -1.52 0.00 0.02 0.00 0.00 177.57 176.06 3jto h ALA 57 N 2.02 0.02 -0.98 1.67 0.00 -1.12 -2.70 119.26 118.16 3jto h ALA 57 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3jto h ALA 57 Cb 0.16 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3jto h ALA 57 CO 0.00 0.81 0.63 0.28 0.00 0.00 0.00 179.25 180.97 3jto h VAL 58 N 0.02 1.26 -0.18 0.00 2.07 0.15 -2.09 116.25 117.47 3jto h VAL 58 Ca -0.29 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.57 3jto h VAL 58 Cb 2.03 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3jto h VAL 58 CO 0.19 0.26 -0.51 -0.07 0.02 0.00 0.00 177.57 177.47 3jto h LEU 59 N 1.34 0.54 -0.03 2.57 3.38 -0.05 -3.10 115.31 119.96 3jto h LEU 59 Ca 0.36 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3jto h LEU 59 Cb -0.12 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3jto h LEU 59 CO -0.07 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.41 3jto n ALA 60 N -2.51 1.85 -0.60 1.53 0.00 -0.79 -1.75 120.51 118.25 3jto n ALA 60 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3jto n ALA 60 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3jto n ALA 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jto n GLU 61 N -0.48 0.00 0.00 0.00 1.02 -1.17 -4.58 120.64 115.43 3jto n GLU 61 Ca 0.00 0.12 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 3jto n GLU 61 Cb 0.00 -0.51 0.61 0.00 -0.02 0.00 0.00 31.44 31.53 3jto n GLU 61 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3jto n TYR 62 N -1.41 0.00 -4.28 -0.32 4.01 -1.21 -4.89 117.16 109.05 3jto n TYR 62 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3jto n TYR 62 Cb 0.00 -0.05 -0.10 0.00 -0.31 0.00 0.00 39.34 38.88 3jto n TYR 62 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3jto s GLY 63 N -2.15 1.63 0.23 2.72 0.00 -0.72 -4.51 107.32 104.52 3jto s GLY 63 Ca 0.37 -1.81 0.11 0.00 0.00 0.00 0.00 44.72 43.39 3jto s GLY 63 CO 0.39 -1.55 -0.21 -1.31 0.00 0.00 0.00 173.10 170.43 3jto s ASN 64 N -3.27 3.37 0.67 1.64 0.01 -0.31 -4.13 114.94 112.92 3jto s ASN 64 Ca 0.37 -0.95 -0.17 0.00 -0.71 0.00 0.00 52.86 51.40 3jto s ASN 64 Cb 0.08 -0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.48 3jto s ASN 64 CO 0.13 0.05 1.27 -2.84 -1.51 0.00 0.00 177.10 174.20 3jto s PRO 65 N -3.11 2.46 0.10 -0.60 0.02 -1.26 -1.28 135.00 131.32 3jto s PRO 65 Ca 0.24 2.00 0.07 0.00 0.02 0.00 0.00 61.00 63.33 3jto s PRO 65 Cb -0.06 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 3jto s PRO 65 CO 0.12 -1.65 -0.17 -0.08 -0.33 0.00 0.00 177.00 174.88 3jto s THR 66 N -1.53 1.43 -0.82 0.99 -1.32 -1.24 -4.71 115.64 108.45 3jto s THR 66 Ca 0.81 -1.52 0.24 0.00 -1.21 0.00 0.00 61.69 60.00 3jto s THR 66 Cb -0.36 -1.40 -0.02 0.00 -1.51 0.00 0.00 72.50 69.22 3jto s THR 66 CO 0.41 -0.21 1.29 1.07 -2.21 0.00 0.00 174.62 174.97 3jto n THR 67 N 0.98 0.13 -2.06 5.08 5.66 -1.26 -4.93 114.28 117.89 3jto n THR 67 Ca -0.19 -0.12 -0.42 0.00 -3.05 0.00 0.00 64.05 60.27 3jto n THR 67 Cb 0.55 0.17 -0.03 0.00 -1.55 0.00 0.00 70.33 69.46 3jto n THR 67 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3jto s LEU 68 N -3.53 4.38 0.41 1.09 2.01 -1.26 -5.00 118.68 116.78 3jto s LEU 68 Ca 0.08 2.51 -0.22 0.00 0.01 0.00 0.00 54.13 56.51 3jto s LEU 68 Cb 0.16 -3.60 -0.10 0.00 0.01 0.00 0.00 46.19 42.66 3jto s LEU 68 CO 0.73 -0.72 0.97 0.42 1.01 0.00 0.00 176.35 178.76 3jto s THR 69 N 0.82 4.23 0.61 5.49 -4.23 -1.26 -4.95 115.64 116.34 3jto s THR 69 Ca 0.65 1.50 0.33 0.00 -1.18 0.00 0.00 61.69 62.99 3jto s THR 69 Cb -0.40 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.14 3jto s THR 69 CO 0.34 -0.19 2.28 -0.29 -0.54 0.00 0.00 174.62 176.22 3jto h ILE 70 N 2.04 0.42 0.20 2.99 6.09 -2.00 -2.68 117.51 124.57 3jto h ILE 70 Ca -0.49 -0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 3jto h ILE 70 Cb 1.19 1.00 0.00 0.00 0.47 0.00 0.00 36.82 39.49 3jto h ILE 70 CO 0.62 0.00 -0.10 0.22 -3.07 0.00 0.00 178.15 175.82 3jto h TYR 71 N 0.00 -0.25 -1.00 2.19 3.20 -1.99 -1.46 116.97 117.66 3jto h TYR 71 Ca -0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3jto h TYR 71 Cb 0.00 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.28 3jto h TYR 71 CO 0.00 0.08 0.64 0.00 -1.64 0.00 0.00 178.16 177.23 3jto h ARG 72 N -0.60 1.06 -0.17 1.82 -0.00 -1.88 0.64 114.38 115.25 3jto h ARG 72 Ca -0.03 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 3jto h ARG 72 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 29.97 30.16 3jto h ARG 72 CO 0.05 0.70 0.09 -0.07 0.00 0.00 0.00 179.97 180.73 3jto h LEU 73 N 1.09 0.23 -0.39 3.04 3.38 -1.43 -0.53 115.31 120.70 3jto h LEU 73 Ca 0.46 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 58.13 3jto h LEU 73 Cb 0.31 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3jto h LEU 73 CO -0.21 0.28 -0.66 1.56 0.09 0.00 0.00 178.44 179.50 3jto h GLN 74 N 0.16 0.57 0.17 1.13 4.20 -0.84 0.39 115.11 120.90 3jto h GLN 74 Ca 0.06 -0.42 -0.30 0.00 0.06 0.00 0.00 58.65 58.05 3jto h GLN 74 Cb 0.11 0.07 0.02 0.00 0.30 0.00 0.00 27.48 27.99 3jto h GLN 74 CO -0.01 1.04 -1.32 1.49 -0.67 0.00 0.00 178.83 179.36 3jto h GLU 75 N 0.41 0.46 0.00 1.46 4.57 -0.89 -3.40 114.58 117.19 3jto h GLU 75 Ca -0.02 -0.72 0.00 0.00 -1.18 0.00 0.00 59.36 57.44 3jto h GLU 75 Cb 1.24 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 3jto h GLU 75 CO 0.12 1.34 -0.41 0.66 -1.18 0.00 0.00 179.01 179.54 3jto n TYR 76 N -3.67 0.00 -1.62 0.92 4.01 -0.23 -5.05 117.16 111.52 3jto n TYR 76 Ca -0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.32 3jto n TYR 76 Cb 1.04 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 40.19 3jto n TYR 76 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3jto s GLY 77 N -1.21 1.58 -0.18 2.72 0.00 0.14 -4.86 107.32 105.50 3jto s GLY 77 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 44.72 44.12 3jto s GLY 77 CO 0.00 -0.01 0.00 1.25 0.00 0.00 0.00 173.10 174.34 3jto s LYS 78 N -5.35 3.71 -0.32 2.90 2.47 1.36 -4.84 119.74 119.68 3jto s LYS 78 Ca 0.63 -0.48 -0.29 0.00 -1.56 0.00 0.00 55.97 54.27 3jto s LYS 78 Cb -0.14 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 33.18 3jto s LYS 78 CO 0.52 0.15 1.30 -1.17 0.16 0.00 0.00 175.35 176.31 3jto s LEU 79 N 0.65 3.84 -0.09 5.43 2.96 -1.26 0.24 118.68 130.45 3jto s LEU 79 Ca -0.00 1.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.98 3jto s LEU 79 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3jto s LEU 79 CO 0.02 -1.12 -0.12 -0.38 -1.32 0.00 0.00 176.35 173.43 3jto n ILE 80 N 6.32 0.95 -3.93 6.68 2.08 0.86 -4.86 119.36 127.46 3jto n ILE 80 Ca 0.15 0.31 -0.34 0.00 0.56 0.00 0.00 62.75 63.43 3jto n ILE 80 Cb 0.47 -2.10 -0.14 0.00 -0.75 0.00 0.00 39.64 37.12 3jto n ILE 80 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3jto s MET 81 N -1.83 2.17 -0.96 0.38 -1.94 -0.85 -4.97 119.30 111.30 3jto s MET 81 Ca -0.10 -1.48 -0.21 0.00 -1.71 0.00 0.00 55.69 52.19 3jto s MET 81 Cb 0.01 -3.20 0.08 0.00 2.01 0.00 0.00 34.83 33.73 3jto s MET 81 CO 0.15 -0.74 1.30 0.34 -0.01 0.00 0.00 175.02 176.05 3jto s ASP 82 N 1.28 6.52 0.00 3.03 2.15 -1.26 -1.44 116.67 126.94 3jto s ASP 82 Ca -0.01 -1.62 0.00 0.00 0.43 0.00 0.00 52.55 51.35 3jto s ASP 82 Cb -0.20 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3jto s ASP 82 CO -0.03 -1.35 0.00 0.61 -0.17 0.00 0.00 175.17 174.23 3jto n GLY 83 N 6.22 3.28 2.49 2.66 0.00 -1.25 -4.90 105.19 113.68 3jto n GLY 83 Ca 0.27 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 3jto n GLY 83 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jto n ASN 84 N 0.57 4.55 0.00 1.61 4.13 -1.15 -3.15 115.26 121.82 3jto n ASN 84 Ca 0.00 -3.67 0.00 0.00 1.68 0.00 0.00 54.58 52.59 3jto n ASN 84 Cb 0.00 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 3jto n ASN 84 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3jto n ALA 85 N -0.46 0.00 -0.32 5.41 0.00 0.18 -0.69 120.51 124.62 3jto n ALA 85 Ca 0.38 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.94 3jto n ALA 85 Cb 0.67 0.40 0.34 0.00 0.00 0.00 0.00 19.45 20.87 3jto n ALA 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3jto h VAL 86 N 0.00 0.78 0.09 0.00 2.07 -1.69 -2.33 116.25 115.17 3jto h VAL 86 Ca 0.00 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3jto h VAL 86 Cb 0.00 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 3jto h VAL 86 CO 0.00 0.14 -0.04 -0.08 0.02 0.00 0.00 177.57 177.60 3jto h GLU 87 N 0.75 -0.12 -0.14 1.57 4.81 -1.44 -3.26 114.58 116.76 3jto h GLU 87 Ca 0.52 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.79 3jto h GLU 87 Cb 0.81 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3jto h GLU 87 CO -0.28 0.32 0.26 1.15 -0.73 0.00 0.00 179.01 179.73 3jto h THR 88 N -0.95 0.23 0.47 0.32 2.02 -0.60 -1.15 112.91 113.25 3jto h THR 88 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3jto h THR 88 Cb 0.49 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3jto h THR 88 CO 0.02 0.00 -0.22 0.40 0.37 0.00 0.00 175.52 176.09 3jto h ILE 89 N 0.00 0.00 -0.96 3.11 2.04 -1.53 -3.16 117.51 117.01 3jto h ILE 89 Ca 0.06 -0.50 0.28 0.00 1.00 0.00 0.00 64.86 65.70 3jto h ILE 89 Cb 0.58 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.51 3jto h ILE 89 CO -0.00 0.00 0.44 1.56 0.00 0.00 0.00 178.15 180.15 3jto h GLN 90 N -1.13 0.29 -0.35 2.37 1.08 -1.28 1.26 115.11 117.36 3jto h GLN 90 Ca -0.06 -0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.22 3jto h GLN 90 Cb 0.48 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3jto h GLN 90 CO 0.11 0.19 0.27 1.15 -0.95 0.00 0.00 178.83 179.60 3jto h THR 91 N 0.30 0.70 0.00 -0.54 2.02 -1.40 -1.13 112.91 112.86 3jto h THR 91 Ca 0.66 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.63 3jto h THR 91 Cb 1.42 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3jto h THR 91 CO -0.62 0.00 -1.64 1.41 0.37 0.00 0.00 175.52 175.05 3jto n HIS 92 N -4.24 0.00 0.55 3.16 8.25 0.33 -4.70 115.22 118.57 3jto n HIS 92 Ca 0.05 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.61 3jto n HIS 92 Cb 0.45 -0.46 0.26 0.00 1.12 0.00 0.00 29.99 31.36 3jto n HIS 92 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3jto n PHE 93 N -3.63 0.53 0.00 4.41 3.72 0.35 -5.10 117.46 117.73 3jto n PHE 93 Ca -0.25 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 3jto n PHE 93 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 3jto n PHE 93 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14