#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jto n GLU 2 N 0.00 2.78 -2.66 -1.24 -0.58 -1.26 -4.96 120.64 112.71 3jto n GLU 2 Ca 0.00 -2.65 -0.36 0.00 -0.42 0.00 0.00 57.16 53.73 3jto n GLU 2 Cb 0.00 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.22 3jto n GLU 2 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3jto s SER 3 N -0.99 6.96 -0.08 1.62 1.04 -1.26 -4.43 113.70 116.56 3jto s SER 3 Ca 0.49 1.91 0.02 0.00 0.48 0.00 0.00 55.95 58.86 3jto s SER 3 Cb 0.26 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.78 3jto s SER 3 CO 0.33 -0.35 -0.14 0.00 0.98 0.00 0.00 173.24 174.06 3jto s ALA 4 N -1.74 2.63 -0.22 5.32 0.00 0.72 -4.80 121.76 123.67 3jto s ALA 4 Ca 0.56 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 3jto s ALA 4 Cb -0.19 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 3jto s ALA 4 CO 0.24 0.44 0.13 -0.51 0.00 0.00 0.00 175.76 176.06 3jto s ASP 5 N -0.30 6.01 -0.18 0.00 1.01 -1.26 -1.31 116.67 120.65 3jto s ASP 5 Ca 0.02 0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.41 3jto s ASP 5 Cb -0.13 -2.07 0.02 0.00 1.01 0.00 0.00 42.92 41.75 3jto s ASP 5 CO 0.03 0.11 -0.20 -0.63 0.21 0.00 0.00 175.17 174.69 3jto s ILE 6 N 0.81 2.02 -0.16 0.77 1.01 0.15 -4.98 121.20 120.81 3jto s ILE 6 Ca 0.07 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3jto s ILE 6 Cb -0.13 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.53 3jto s ILE 6 CO 0.02 0.53 -0.21 -0.63 0.00 0.00 0.00 174.94 174.66 3jto s ILE 7 N 1.28 2.05 0.14 2.92 1.01 -1.26 -0.37 121.20 126.97 3jto s ILE 7 Ca 0.04 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 59.84 3jto s ILE 7 Cb -0.13 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3jto s ILE 7 CO -0.12 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 174.86 3jto s TYR 8 N 1.10 2.48 -0.16 3.97 2.02 -0.74 -2.73 117.35 123.29 3jto s TYR 8 Ca 0.00 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 56.34 3jto s TYR 8 Cb -0.14 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3jto s TYR 8 CO -0.08 0.41 0.08 -1.14 -1.57 0.00 0.00 175.55 173.24 3jto s GLN 9 N -2.27 3.80 -0.02 -0.62 0.74 0.14 -1.59 119.66 119.83 3jto s GLN 9 Ca 0.18 -0.29 0.03 0.00 0.05 0.00 0.00 55.36 55.33 3jto s GLN 9 Cb -0.10 -3.19 -0.00 0.00 1.10 0.00 0.00 33.01 30.82 3jto s GLN 9 CO 0.10 0.42 -0.11 -0.06 -0.55 0.00 0.00 175.29 175.09 3jto s PHE 10 N -0.03 1.10 0.37 1.67 0.08 0.65 -2.00 117.98 119.82 3jto s PHE 10 Ca 0.07 -0.26 0.08 0.00 0.12 0.00 0.00 56.93 56.94 3jto s PHE 10 Cb -0.12 -0.75 0.72 0.00 -0.57 0.00 0.00 43.02 42.30 3jto s PHE 10 CO 0.01 -0.08 1.91 1.12 -0.10 0.00 0.00 175.22 178.07 3jto h HIS 11 N 6.18 0.36 -3.95 0.36 2.07 -1.85 -1.94 115.15 116.38 3jto h HIS 11 Ca -0.33 -0.04 -0.11 0.00 -2.85 0.00 0.00 60.37 57.05 3jto h HIS 11 Cb 1.17 -0.10 -0.14 0.00 2.57 0.00 0.00 27.41 30.91 3jto h HIS 11 CO 0.43 0.42 -0.43 -1.54 -3.07 0.00 0.00 177.93 173.75 3jto s SER 12 N -6.82 0.16 0.55 3.10 1.04 -1.26 -4.64 113.70 105.83 3jto s SER 12 Ca -0.06 -0.82 0.23 0.00 0.48 0.00 0.00 55.95 55.78 3jto s SER 12 Cb 0.15 0.35 1.46 0.00 0.10 0.00 0.00 66.02 68.08 3jto s SER 12 CO 0.74 -0.76 2.10 0.15 0.98 0.00 0.00 173.24 176.45 3jto h PHE 13 N 2.75 0.00 -0.77 5.02 3.57 -1.97 -2.17 116.94 123.38 3jto h PHE 13 Ca -0.33 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.21 3jto h PHE 13 Cb 1.20 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 3jto h PHE 13 CO 0.43 0.00 0.50 1.49 -2.23 0.00 0.00 178.31 178.51 3jto h GLU 14 N 0.00 0.87 -0.92 1.11 4.57 -1.98 -0.50 114.58 117.72 3jto h GLU 14 Ca 0.10 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 3jto h GLU 14 Cb 0.43 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3jto h GLU 14 CO -0.00 0.58 0.59 -0.44 -1.18 0.00 0.00 179.01 178.55 3jto h ASP 15 N 0.90 0.95 0.73 1.04 3.32 -1.76 -1.40 116.42 120.19 3jto h ASP 15 Ca 0.31 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 3jto h ASP 15 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3jto h ASP 15 CO -0.10 0.62 -0.70 0.40 -1.72 0.00 0.00 179.24 177.74 3jto h ILE 16 N 1.09 1.49 -0.27 0.35 2.04 -1.25 -2.54 117.51 118.43 3jto h ILE 16 Ca 0.39 -2.43 -0.03 0.00 1.00 0.00 0.00 64.86 63.79 3jto h ILE 16 Cb 0.11 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3jto h ILE 16 CO -0.16 0.69 0.06 0.40 0.00 0.00 0.00 178.15 179.14 3jto h ILE 17 N 0.00 1.22 -0.33 -0.67 2.04 -0.91 -2.47 117.51 116.39 3jto h ILE 17 Ca -0.01 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 65.01 3jto h ILE 17 Cb 1.26 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3jto h ILE 17 CO 0.09 0.24 -0.26 1.56 0.00 0.00 0.00 178.15 179.77 3jto h GLN 18 N 0.26 0.66 0.00 2.37 4.20 -1.14 -2.96 115.11 118.50 3jto h GLN 18 Ca 0.08 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.52 3jto h GLN 18 Cb 0.30 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3jto h GLN 18 CO 0.00 0.86 -0.39 1.37 -0.67 0.00 0.00 178.83 180.00 3jto h LEU 19 N 0.57 0.00 -1.73 1.46 -0.00 -1.51 -3.34 115.31 110.77 3jto h LEU 19 Ca 0.08 -0.03 0.18 0.00 -0.00 0.00 0.00 57.88 58.11 3jto h LEU 19 Cb 0.75 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.36 3jto h LEU 19 CO 0.06 0.02 0.53 -1.28 -0.00 0.00 0.00 178.44 177.76 3jto h SER 20 N 0.00 0.24 0.06 0.17 0.87 -1.26 0.42 113.55 114.05 3jto h SER 20 Ca 0.00 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.32 3jto h SER 20 Cb 0.92 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.87 3jto h SER 20 CO 0.00 0.11 -0.99 -0.08 -0.53 0.00 0.00 176.83 175.34 3jto h GLU 21 N 0.25 0.65 -0.75 2.24 4.22 -1.74 -2.60 114.58 116.85 3jto h GLU 21 Ca 0.38 -0.68 -0.04 0.00 0.08 0.00 0.00 59.36 59.10 3jto h GLU 21 Cb 1.12 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3jto h GLU 21 CO -0.09 1.27 0.31 0.77 -2.18 0.00 0.00 179.01 179.09 3jto h SER 22 N 0.38 1.03 -0.31 1.04 0.02 -1.18 -2.58 113.55 111.95 3jto h SER 22 Ca -0.11 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 3jto h SER 22 Cb 1.64 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 3jto h SER 22 CO 0.19 0.91 0.07 -0.07 -1.14 0.00 0.00 176.83 176.79 3jto h LEU 23 N 1.09 0.48 -1.41 5.07 3.38 -1.21 -3.02 115.31 119.69 3jto h LEU 23 Ca 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3jto h LEU 23 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3jto h LEU 23 CO -0.02 0.59 0.04 -0.61 0.09 0.00 0.00 178.44 178.53 3jto h GLN 24 N 0.35 0.43 -0.84 1.13 4.15 -1.33 -0.75 115.11 118.24 3jto h GLN 24 Ca 0.10 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3jto h GLN 24 Cb 0.30 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 3jto h GLN 24 CO 0.00 0.42 0.41 0.00 -1.93 0.00 0.00 178.83 177.73 3jto h ARG 25 N 0.42 1.21 -0.91 1.69 3.08 -1.34 -1.79 114.38 116.75 3jto h ARG 25 Ca 0.10 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3jto h ARG 25 Cb 0.22 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 3jto h ARG 25 CO 0.00 0.93 0.15 0.44 -1.07 0.00 0.00 179.97 180.42 3jto n ILE 26 N -4.30 1.63 -1.02 2.04 -5.35 -0.93 -4.86 119.36 106.57 3jto n ILE 26 Ca 0.08 -0.75 -0.01 0.00 -0.27 0.00 0.00 62.75 61.81 3jto n ILE 26 Cb 0.14 -0.59 -0.00 0.00 -1.74 0.00 0.00 39.64 37.45 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 0.01 0.47 3.67 3.28 0.00 -0.67 -5.03 105.19 106.92 3jto n GLY 27 Ca 0.20 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.02 5.32 0.00 -0.61 -1.09 -0.33 -4.94 121.20 117.53 3jto s ILE 28 Ca 0.00 0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 3jto s ILE 28 Cb 0.00 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 3jto s ILE 28 CO 0.00 0.33 0.06 0.41 -1.23 0.00 0.00 174.94 174.51 3jto n THR 29 N 4.24 0.00 0.00 2.92 -1.04 -1.26 -2.90 114.28 116.24 3jto n THR 29 Ca -0.13 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 3jto n THR 29 Cb 0.52 1.07 0.00 0.00 -1.82 0.00 0.00 70.33 70.10 3jto n THR 29 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3jto n GLY 30 N 0.52 2.49 0.00 3.41 0.00 -1.26 -2.91 105.19 107.44 3jto n GLY 30 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 2.24 3.28 -0.02 0.00 -1.22 -1.40 105.19 113.06 3jto n GLY 31 Ca 0.00 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.88 2.11 -0.14 2.61 2.01 -0.04 -0.88 115.64 119.42 3jto s THR 32 Ca 0.00 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 3jto s THR 32 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 3jto s THR 32 CO 0.00 0.57 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.75 3jto s VAL 33 N -0.19 3.70 0.13 3.82 1.01 -0.61 -0.31 120.40 127.95 3jto s VAL 33 Ca -0.03 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.62 3jto s VAL 33 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3jto s VAL 33 CO 0.03 0.51 -0.23 -0.31 0.00 0.00 0.00 175.10 175.11 3jto s TYR 34 N 0.25 2.41 -0.13 5.22 2.02 0.31 -0.71 117.35 126.72 3jto s TYR 34 Ca -0.04 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 3jto s TYR 34 Cb -0.14 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 3jto s TYR 34 CO 0.03 0.38 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.70 3jto s HIS 35 N -1.17 2.84 -0.27 2.71 5.65 0.71 -0.52 115.29 125.23 3jto s HIS 35 Ca 0.17 -0.61 -0.23 0.00 0.25 0.00 0.00 55.06 54.64 3jto s HIS 35 Cb -0.10 -1.86 0.07 0.00 -1.18 0.00 0.00 32.58 29.51 3jto s HIS 35 CO 0.08 -0.20 0.71 -0.47 -0.65 0.00 0.00 174.74 174.22 3jto s TYR 36 N 0.37 -0.86 -1.39 3.88 5.04 0.23 -0.51 117.35 124.09 3jto s TYR 36 Ca -0.10 1.98 -0.06 0.00 -2.44 0.00 0.00 57.07 56.45 3jto s TYR 36 Cb -0.16 0.37 0.00 0.00 0.35 0.00 0.00 41.96 42.53 3jto s TYR 36 CO 0.05 -0.42 0.38 -3.47 -1.34 0.00 0.00 175.55 170.75 3jto n ASP 37 N 3.13 -0.96 0.00 4.32 2.03 -1.26 -1.08 116.55 122.74 3jto n ASP 37 Ca -0.16 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.05 3jto n ASP 37 Cb 0.56 -2.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.38 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 -2.11 0.20 3.26 0.27 0.00 -1.26 -4.98 105.19 100.56 3jto n GLY 38 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 3jto n GLY 38 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3jto s GLN 39 N -1.22 1.23 -0.03 1.61 -2.07 -0.24 -4.92 119.66 114.02 3jto s GLN 39 Ca 0.00 -1.63 -0.02 0.00 -1.82 0.00 0.00 55.36 51.89 3jto s GLN 39 Cb 0.00 -0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 31.69 3jto s GLN 39 CO 0.00 -0.22 0.11 0.71 -1.32 0.00 0.00 175.29 174.57 3jto s TYR 40 N -3.76 3.40 -0.04 9.60 2.02 -0.73 -0.60 117.35 127.24 3jto s TYR 40 Ca 0.31 0.30 0.03 0.00 -0.37 0.00 0.00 57.07 57.34 3jto s TYR 40 Cb 0.07 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 3jto s TYR 40 CO 0.08 0.60 -0.12 -0.06 -1.57 0.00 0.00 175.55 174.48 3jto s PHE 41 N -1.18 1.28 -0.17 2.71 0.08 0.32 -0.25 117.98 120.77 3jto s PHE 41 Ca 0.22 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.89 3jto s PHE 41 Cb -0.12 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 3jto s PHE 41 CO 0.13 -0.14 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.87 3jto s LEU 42 N 0.17 2.93 -0.13 -0.37 2.96 -0.62 -0.53 118.68 123.09 3jto s LEU 42 Ca -0.04 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3jto s LEU 42 Cb -0.10 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3jto s LEU 42 CO 0.01 0.10 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.45 3jto s SER 43 N 0.76 3.90 -0.06 3.68 0.15 0.58 -1.78 113.70 120.93 3jto s SER 43 Ca -0.03 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.28 3jto s SER 43 Cb -0.15 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.58 3jto s SER 43 CO 0.02 0.15 -0.11 -0.76 1.20 0.00 0.00 173.24 173.74 3jto s LEU 44 N 0.42 1.62 0.17 3.45 1.43 0.51 -0.86 118.68 125.41 3jto s LEU 44 Ca -0.11 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 3jto s LEU 44 Cb -0.16 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 3jto s LEU 44 CO 0.05 0.03 -0.18 -1.61 0.23 0.00 0.00 176.35 174.86 3jto s GLU 45 N 0.67 1.74 -1.15 1.70 2.02 -1.26 0.31 118.70 122.73 3jto s GLU 45 Ca -0.14 -1.36 -0.02 0.00 0.02 0.00 0.00 54.97 53.48 3jto s GLU 45 Cb -0.15 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.07 3jto s GLU 45 CO 0.03 0.43 0.97 -0.25 0.02 0.00 0.00 175.26 176.47 3jto n ASP 46 N 0.36 -2.89 -4.77 -0.19 8.00 -0.93 -4.93 116.55 111.20 3jto n ASP 46 Ca -0.13 -0.56 -0.38 0.00 0.71 0.00 0.00 54.79 54.42 3jto n ASP 46 Cb 0.55 -4.81 -0.06 0.00 -0.02 0.00 0.00 41.12 36.78 3jto n ASP 46 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jto s LEU 47 N -6.25 4.42 0.93 0.64 1.43 -0.42 -4.78 118.68 114.64 3jto s LEU 47 Ca 0.11 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 3jto s LEU 47 Cb -0.05 -2.83 0.08 0.00 0.03 0.00 0.00 46.19 43.42 3jto s LEU 47 CO 0.68 0.14 0.74 0.61 0.23 0.00 0.00 176.35 178.75 3jto n GLY 48 N 2.40 -1.26 0.19 -3.19 0.00 -1.26 -0.20 105.19 101.86 3jto n GLY 48 Ca -0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 3jto n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jto h SER 49 N -1.65 0.34 0.38 1.61 4.64 -1.98 -0.40 113.55 116.50 3jto h SER 49 Ca -0.43 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 60.69 3jto h SER 49 Cb 1.28 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3jto h SER 49 CO 0.38 0.81 -0.18 0.45 -0.87 0.00 0.00 176.83 177.42 3jto h HIS 50 N 0.24 -0.47 -0.24 4.77 3.86 -1.96 -2.54 115.15 118.81 3jto h HIS 50 Ca 0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3jto h HIS 50 Cb 1.02 0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 3jto h HIS 50 CO 0.02 -0.15 0.04 1.79 0.86 0.00 0.00 177.93 180.50 3jto h THR 51 N -0.83 1.13 -0.80 2.45 1.35 -1.94 -1.51 112.91 112.76 3jto h THR 51 Ca -0.05 -0.47 0.08 0.00 -0.55 0.00 0.00 66.41 65.41 3jto h THR 51 Cb 0.53 0.91 -0.05 0.00 -1.73 0.00 0.00 68.15 67.81 3jto h THR 51 CO 0.09 0.16 0.52 0.00 -0.25 0.00 0.00 175.52 176.04 3jto h ALA 52 N 1.71 1.68 0.04 6.62 0.00 -1.00 0.36 119.26 128.66 3jto h ALA 52 Ca 0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 3jto h ALA 52 Cb 0.17 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3jto h ALA 52 CO -0.00 0.18 -0.79 1.49 0.00 0.00 0.00 179.25 180.13 3jto h GLU 53 N 0.81 0.47 -0.80 0.00 4.57 -0.89 -1.33 114.58 117.41 3jto h GLU 53 Ca 0.35 -0.55 0.06 0.00 -1.18 0.00 0.00 59.36 58.04 3jto h GLU 53 Cb 0.32 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.02 3jto h GLU 53 CO -0.13 1.20 0.48 0.78 -1.18 0.00 0.00 179.01 180.16 3jto h GLY 54 N -0.02 1.20 0.95 1.92 0.00 -0.85 -2.36 103.07 103.91 3jto h GLY 54 Ca -0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3jto h GLY 54 CO 0.15 0.23 -0.00 -2.08 0.00 0.00 0.00 176.54 174.84 3jto h VAL 55 N 0.88 1.26 0.00 4.60 2.07 -0.25 -2.84 116.25 121.97 3jto h VAL 55 Ca 0.35 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3jto h VAL 55 Cb 0.18 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3jto h VAL 55 CO -0.17 0.34 -0.06 0.58 0.02 0.00 0.00 177.57 178.28 3jto h VAL 56 N 0.53 0.28 0.12 2.57 2.07 -0.98 -1.57 116.25 119.27 3jto h VAL 56 Ca 0.11 -0.39 -0.27 0.00 0.82 0.00 0.00 66.70 66.97 3jto h VAL 56 Cb 0.48 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3jto h VAL 56 CO 0.02 0.06 -1.21 0.00 0.02 0.00 0.00 177.57 176.45 3jto h ALA 57 N 1.94 0.11 0.21 1.67 0.00 -1.20 -1.87 119.26 120.11 3jto h ALA 57 Ca -0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3jto h ALA 57 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3jto h ALA 57 CO 0.01 0.89 -0.10 0.28 0.00 0.00 0.00 179.25 180.33 3jto h VAL 58 N 0.12 0.88 -0.73 0.00 2.07 -1.24 -3.34 116.25 114.02 3jto h VAL 58 Ca -0.14 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3jto h VAL 58 Cb 1.92 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 3jto h VAL 58 CO 0.21 0.14 0.24 -0.07 0.02 0.00 0.00 177.57 178.11 3jto h LEU 59 N -0.61 1.05 -2.31 2.57 3.38 -1.35 -2.27 115.31 115.77 3jto h LEU 59 Ca -0.03 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3jto h LEU 59 Cb 0.44 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3jto h LEU 59 CO 0.05 0.97 0.21 0.00 0.09 0.00 0.00 178.44 179.76 3jto h ALA 60 N 1.12 1.50 0.00 1.53 0.00 -1.46 0.10 119.26 122.05 3jto h ALA 60 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3jto h ALA 60 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jto h ALA 60 CO -0.01 -0.26 0.00 0.93 0.00 0.00 0.00 179.25 179.91 3jto h GLU 61 N 0.00 0.00 0.00 0.00 5.08 -1.52 -3.35 114.58 114.78 3jto h GLU 61 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3jto h GLU 61 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3jto h GLU 61 CO -0.00 0.00 -0.77 0.66 -1.00 0.00 0.00 179.01 177.90 3jto n TYR 62 N -2.61 0.00 -3.42 4.33 4.01 0.22 -5.11 117.16 114.58 3jto n TYR 62 Ca 0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.72 3jto n TYR 62 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.38 3jto n TYR 62 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jto n GLY 63 N 1.98 1.62 3.42 2.72 0.00 -0.40 -4.69 105.19 109.85 3jto n GLY 63 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 3jto n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jto s ASN 64 N -1.99 3.48 0.76 1.61 0.01 -0.85 -4.20 114.94 113.77 3jto s ASN 64 Ca 0.08 -0.74 -0.12 0.00 -0.71 0.00 0.00 52.86 51.38 3jto s ASN 64 Cb -0.02 -0.30 0.05 0.00 0.41 0.00 0.00 41.25 41.39 3jto s ASN 64 CO 0.06 0.16 1.11 -2.84 -1.51 0.00 0.00 177.10 174.09 3jto s PRO 65 N -2.24 2.20 0.26 -0.60 0.02 -1.26 0.25 135.00 133.62 3jto s PRO 65 Ca 0.17 1.33 0.10 0.00 0.02 0.00 0.00 61.00 62.61 3jto s PRO 65 Cb -0.10 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3jto s PRO 65 CO 0.08 -1.71 -0.08 -0.08 -0.33 0.00 0.00 177.00 174.88 3jto s THR 66 N -2.66 3.08 -0.14 0.99 -1.32 -1.10 -4.69 115.64 109.80 3jto s THR 66 Ca 0.64 -2.05 0.17 0.00 -1.21 0.00 0.00 61.69 59.25 3jto s THR 66 Cb -0.20 -2.62 -0.09 0.00 -1.51 0.00 0.00 72.50 68.08 3jto s THR 66 CO 0.52 -0.35 0.93 0.00 -2.21 0.00 0.00 174.62 173.52 3jto h THR 67 N 2.14 0.46 -3.99 5.08 1.03 -1.94 -3.48 112.91 112.21 3jto h THR 67 Ca -0.43 -1.87 -0.54 0.00 -0.01 0.00 0.00 66.41 63.56 3jto h THR 67 Cb 1.25 2.00 0.12 0.00 -1.07 0.00 0.00 68.15 70.45 3jto h THR 67 CO 0.59 0.26 0.69 -0.76 -0.01 0.00 0.00 175.52 176.29 3jto s LEU 68 N -5.80 4.09 0.37 0.00 1.02 -1.26 -5.00 118.68 112.10 3jto s LEU 68 Ca -0.02 2.89 -0.02 0.00 0.02 0.00 0.00 54.13 57.01 3jto s LEU 68 Cb 0.09 -3.96 -0.04 0.00 0.02 0.00 0.00 46.19 42.29 3jto s LEU 68 CO 0.80 -1.20 0.61 0.42 0.02 0.00 0.00 176.35 177.00 3jto s THR 69 N -1.22 5.04 0.48 5.49 -4.23 -1.26 -4.99 115.64 114.95 3jto s THR 69 Ca 0.62 -0.21 0.21 0.00 -1.18 0.00 0.00 61.69 61.13 3jto s THR 69 Cb -0.43 -3.84 0.26 0.00 1.34 0.00 0.00 72.50 69.83 3jto s THR 69 CO 0.55 -0.59 2.09 -0.29 -0.54 0.00 0.00 174.62 175.84 3jto h ILE 70 N 0.73 0.85 -0.57 2.99 6.09 -2.00 -1.68 117.51 123.92 3jto h ILE 70 Ca -0.49 -0.40 -0.08 0.00 -1.37 0.00 0.00 64.86 62.52 3jto h ILE 70 Cb 1.21 1.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.71 3jto h ILE 70 CO 0.62 0.10 0.03 0.22 -3.07 0.00 0.00 178.15 176.06 3jto h TYR 71 N 0.00 1.07 -0.36 2.19 3.20 -1.99 -2.00 116.97 119.08 3jto h TYR 71 Ca -0.00 -0.17 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 3jto h TYR 71 Cb 0.22 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3jto h TYR 71 CO 0.00 0.95 -0.05 -0.09 -1.64 0.00 0.00 178.16 177.33 3jto h ARG 72 N 0.87 0.67 -0.58 1.82 2.43 -1.71 0.47 114.38 118.36 3jto h ARG 72 Ca 0.16 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3jto h ARG 72 Cb 0.51 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3jto h ARG 72 CO 0.02 0.81 0.08 -0.07 -1.51 0.00 0.00 179.97 179.31 3jto h LEU 73 N 0.47 0.90 0.06 3.80 3.38 -1.48 0.06 115.31 122.50 3jto h LEU 73 Ca 0.10 -0.20 -0.28 0.00 0.09 0.00 0.00 57.88 57.58 3jto h LEU 73 Cb 0.54 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 41.08 3jto h LEU 73 CO 0.03 0.91 -1.15 1.56 0.09 0.00 0.00 178.44 179.88 3jto h GLN 74 N 0.89 0.67 0.23 1.13 4.20 -1.19 0.56 115.11 121.59 3jto h GLN 74 Ca 0.18 -0.80 -0.30 0.00 0.06 0.00 0.00 58.65 57.78 3jto h GLN 74 Cb 0.41 0.25 0.04 0.00 0.30 0.00 0.00 27.48 28.47 3jto h GLN 74 CO 0.01 1.36 -1.33 1.49 -0.67 0.00 0.00 178.83 179.69 3jto h GLU 75 N 0.34 0.49 -0.00 1.46 4.57 -0.90 -3.40 114.58 117.14 3jto h GLU 75 Ca -0.16 -0.83 0.00 0.00 -1.18 0.00 0.00 59.36 57.19 3jto h GLU 75 Cb 1.81 0.31 0.00 0.00 -0.16 0.00 0.00 28.75 30.71 3jto h GLU 75 CO 0.22 1.40 -0.06 0.66 -1.18 0.00 0.00 179.01 180.05 3jto n TYR 76 N -3.81 0.00 -2.44 0.92 4.01 -0.00 -5.04 117.16 110.80 3jto n TYR 76 Ca -0.16 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.55 3jto n TYR 76 Cb 1.04 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 40.08 3jto n TYR 76 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jto n GLY 77 N 0.75 1.00 3.11 2.72 0.00 0.19 -4.97 105.19 107.98 3jto n GLY 77 Ca 0.01 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 3jto n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jto s LYS 78 N -2.64 2.84 -0.16 1.61 2.20 0.33 -4.86 119.74 119.06 3jto s LYS 78 Ca 0.08 -0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 54.62 3jto s LYS 78 Cb -0.00 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 3jto s LYS 78 CO 0.05 -0.18 1.13 -1.17 -0.36 0.00 0.00 175.35 174.82 3jto s LEU 79 N 1.25 4.17 -0.24 5.43 2.96 -1.26 -0.21 118.68 130.79 3jto s LEU 79 Ca 0.03 1.57 -0.14 0.00 -0.22 0.00 0.00 54.13 55.36 3jto s LEU 79 Cb -0.13 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.91 3jto s LEU 79 CO -0.11 -0.65 -0.34 -0.38 -1.32 0.00 0.00 176.35 173.55 3jto n ILE 80 N 5.11 1.45 -3.89 6.68 2.08 0.12 -4.94 119.36 125.97 3jto n ILE 80 Ca 0.12 -0.22 -0.26 0.00 0.56 0.00 0.00 62.75 62.95 3jto n ILE 80 Cb 0.46 -1.99 -0.17 0.00 -0.75 0.00 0.00 39.64 37.19 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 -2.59 1.44 -1.04 0.38 -1.94 -1.10 -4.98 119.30 109.48 3jto s MET 81 Ca -0.34 -0.23 -0.13 0.00 -1.71 0.00 0.00 55.69 53.28 3jto s MET 81 Cb 0.11 -1.54 0.21 0.00 2.01 0.00 0.00 34.83 35.62 3jto s MET 81 CO 0.45 -0.27 1.12 0.34 -0.01 0.00 0.00 175.02 176.64 3jto s ASP 82 N 1.73 7.00 0.00 3.03 2.15 -1.26 -1.58 116.67 127.74 3jto s ASP 82 Ca 0.05 -2.94 0.00 0.00 0.43 0.00 0.00 52.55 50.09 3jto s ASP 82 Cb -0.13 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3jto s ASP 82 CO -0.08 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 3jto n GLY 83 N 3.89 0.87 0.81 2.66 0.00 -1.17 -4.89 105.19 107.36 3jto n GLY 83 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.31 3jto n GLY 83 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jto n ASN 84 N 0.00 1.02 0.01 1.61 0.23 -0.80 -3.46 115.26 113.87 3jto n ASN 84 Ca 0.00 -2.50 -0.10 0.00 -0.53 0.00 0.00 54.58 51.45 3jto n ASN 84 Cb 0.00 -0.33 -0.04 0.00 -2.08 0.00 0.00 39.78 37.33 3jto n ASN 84 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3jto h ALA 85 N 0.53 -0.04 -0.62 -2.53 0.00 -0.86 -1.40 119.26 114.34 3jto h ALA 85 Ca -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3jto h ALA 85 Cb 1.45 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3jto h ALA 85 CO 0.04 -0.57 0.33 0.28 0.00 0.00 0.00 179.25 179.33 3jto h VAL 86 N -0.14 1.19 0.00 0.00 2.07 -1.35 -1.25 116.25 116.77 3jto h VAL 86 Ca 0.07 -0.49 -0.24 0.00 0.82 0.00 0.00 66.70 66.87 3jto h VAL 86 Cb 0.24 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3jto h VAL 86 CO -0.18 0.21 -1.27 1.05 0.02 0.00 0.00 177.57 177.41 3jto h GLU 87 N 0.86 0.00 -0.72 1.57 4.11 -1.35 -2.17 114.58 116.88 3jto h GLU 87 Ca 0.22 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.59 3jto h GLU 87 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3jto h GLU 87 CO -0.03 0.78 0.21 1.15 0.07 0.00 0.00 179.01 181.18 3jto h THR 88 N 0.00 1.26 -0.24 -1.06 2.02 -0.89 -2.35 112.91 111.65 3jto h THR 88 Ca -0.12 -0.91 -0.19 0.00 0.77 0.00 0.00 66.41 65.97 3jto h THR 88 Cb 1.85 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3jto h THR 88 CO 0.11 0.35 -0.57 0.40 0.37 0.00 0.00 175.52 176.18 3jto h ILE 89 N 1.07 1.28 -0.00 3.11 2.04 -1.26 -3.25 117.51 120.51 3jto h ILE 89 Ca 0.23 -1.77 -0.10 0.00 1.00 0.00 0.00 64.86 64.23 3jto h ILE 89 Cb 0.31 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3jto h ILE 89 CO -0.01 0.57 -0.46 1.56 0.00 0.00 0.00 178.15 179.81 3jto h GLN 90 N 0.57 0.00 -0.78 2.37 1.08 -1.33 0.47 115.11 117.50 3jto h GLN 90 Ca -0.00 -0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.38 3jto h GLN 90 Cb 1.19 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.50 3jto h GLN 90 CO 0.13 0.46 0.18 1.15 -0.95 0.00 0.00 178.83 179.79 3jto h THR 91 N 0.00 0.44 0.02 -0.54 2.02 -1.45 -2.26 112.91 111.15 3jto h THR 91 Ca -0.00 -0.08 -0.33 0.00 0.77 0.00 0.00 66.41 66.76 3jto h THR 91 Cb 0.82 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3jto h THR 91 CO 0.06 0.04 -1.83 1.41 0.37 0.00 0.00 175.52 175.57 3jto n HIS 92 N -5.19 0.72 0.30 3.16 8.25 -0.59 -4.52 115.22 117.35 3jto n HIS 92 Ca 0.16 0.26 0.12 0.00 -0.26 0.00 0.00 57.72 57.99 3jto n HIS 92 Cb 0.52 -1.08 0.25 0.00 1.12 0.00 0.00 29.99 30.80 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 -4.11 0.56 0.72 4.41 3.72 0.05 -5.15 117.46 117.67 3jto n PHE 93 Ca -0.39 -0.28 0.09 0.00 -0.05 0.00 0.00 57.45 56.81 3jto n PHE 93 Cb 0.83 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.44 3jto n PHE 93 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58