#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jto s SER 3 N 0.00 -0.07 -0.16 -1.84 1.04 -1.26 -4.46 113.70 106.94 3jto s SER 3 Ca 0.00 0.72 -0.10 0.00 0.48 0.00 0.00 55.95 57.05 3jto s SER 3 Cb 0.00 -1.01 0.06 0.00 0.10 0.00 0.00 66.02 65.17 3jto s SER 3 CO 0.00 -4.74 0.40 0.00 0.98 0.00 0.00 173.24 169.88 3jto s ALA 4 N -2.67 -1.02 -0.05 5.32 0.00 0.12 -4.82 121.76 118.65 3jto s ALA 4 Ca 0.70 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.98 3jto s ALA 4 Cb -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 3jto s ALA 4 CO 0.57 -0.25 0.31 -0.51 0.00 0.00 0.00 175.76 175.88 3jto s ASP 5 N 1.21 6.64 -0.10 0.00 1.11 -1.26 -1.16 116.67 123.11 3jto s ASP 5 Ca -0.08 0.76 -0.00 0.00 0.18 0.00 0.00 52.55 53.41 3jto s ASP 5 Cb -0.08 -2.18 0.02 0.00 1.07 0.00 0.00 42.92 41.75 3jto s ASP 5 CO -0.10 0.33 -0.07 -0.63 1.18 0.00 0.00 175.17 175.88 3jto s ILE 6 N -0.93 0.93 -0.06 0.77 -1.09 -0.81 -5.02 121.20 115.00 3jto s ILE 6 Ca 0.20 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.41 3jto s ILE 6 Cb -0.15 -0.96 0.00 0.00 -1.58 0.00 0.00 42.46 39.78 3jto s ILE 6 CO 0.09 0.35 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.37 3jto s ILE 7 N 1.62 1.35 0.13 2.92 1.01 -1.26 -1.74 121.20 125.23 3jto s ILE 7 Ca 0.03 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.12 3jto s ILE 7 Cb -0.13 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3jto s ILE 7 CO -0.06 0.40 -0.19 -0.31 0.00 0.00 0.00 174.94 174.77 3jto s TYR 8 N 0.36 1.76 0.11 3.97 2.02 -0.89 -2.42 117.35 122.25 3jto s TYR 8 Ca -0.10 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 3jto s TYR 8 Cb -0.14 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 3jto s TYR 8 CO 0.04 0.24 0.04 1.14 -1.57 0.00 0.00 175.55 175.44 3jto s GLN 9 N -2.28 2.65 0.02 -0.62 1.03 0.60 -1.46 119.66 119.59 3jto s GLN 9 Ca 0.10 -0.86 0.00 0.00 0.04 0.00 0.00 55.36 54.64 3jto s GLN 9 Cb -0.08 -2.56 -0.02 0.00 0.03 0.00 0.00 33.01 30.38 3jto s GLN 9 CO 0.05 0.52 -0.03 -0.06 -2.54 0.00 0.00 175.29 173.23 3jto s PHE 10 N -1.47 0.30 -0.64 9.60 0.08 0.21 -1.40 117.98 124.66 3jto s PHE 10 Ca 0.28 -0.51 0.25 0.00 0.12 0.00 0.00 56.93 57.07 3jto s PHE 10 Cb -0.11 -0.21 0.64 0.00 -0.57 0.00 0.00 43.02 42.77 3jto s PHE 10 CO 0.20 -0.17 1.69 0.45 -0.10 0.00 0.00 175.22 177.29 3jto h HIS 11 N 4.68 0.00 -2.84 0.36 3.86 -1.88 0.10 115.15 119.43 3jto h HIS 11 Ca -0.32 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.80 3jto h HIS 11 Cb 1.21 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.50 3jto h HIS 11 CO 0.65 0.00 -0.10 -1.54 0.86 0.00 0.00 177.93 177.80 3jto s SER 12 N -4.97 -0.32 0.18 2.45 1.04 -1.26 -4.76 113.70 106.05 3jto s SER 12 Ca 0.09 0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 3jto s SER 12 Cb 0.10 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.70 3jto s SER 12 CO 0.63 -0.59 1.59 0.15 0.98 0.00 0.00 173.24 176.00 3jto h PHE 13 N 3.27 1.09 -0.44 5.02 3.57 -1.98 -2.94 116.94 124.52 3jto h PHE 13 Ca -0.30 -0.25 0.13 0.00 3.53 0.00 0.00 57.97 61.08 3jto h PHE 13 Cb 1.19 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3jto h PHE 13 CO 0.44 1.05 0.44 1.05 -2.23 0.00 0.00 178.31 179.06 3jto h GLU 14 N 0.84 0.00 -0.28 1.11 4.11 -1.99 0.45 114.58 118.82 3jto h GLU 14 Ca 0.12 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.45 3jto h GLU 14 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3jto h GLU 14 CO 0.06 0.00 -0.22 -0.44 0.07 0.00 0.00 179.01 178.48 3jto h ASP 15 N 0.00 0.53 -0.10 3.06 3.32 -1.92 -0.80 116.42 120.51 3jto h ASP 15 Ca 0.21 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 3jto h ASP 15 Cb 1.10 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.50 3jto h ASP 15 CO -0.00 0.75 -0.60 0.40 -1.72 0.00 0.00 179.24 178.07 3jto h ILE 16 N 0.47 1.30 0.63 0.35 2.04 -0.25 -3.07 117.51 118.98 3jto h ILE 16 Ca 0.07 -1.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.07 3jto h ILE 16 Cb 0.65 1.78 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3jto h ILE 16 CO 0.05 0.58 -0.30 0.40 0.00 0.00 0.00 178.15 178.87 3jto h ILE 17 N 0.53 0.38 0.00 -0.67 2.04 -1.09 -2.83 117.51 115.87 3jto h ILE 17 Ca -0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3jto h ILE 17 Cb 1.19 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3jto h ILE 17 CO 0.12 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.37 3jto n GLN 18 N -5.45 0.03 -0.00 2.37 6.02 -0.33 -1.92 117.38 118.10 3jto n GLN 18 Ca -0.13 0.46 0.06 0.00 -0.01 0.00 0.00 57.00 57.37 3jto n GLN 18 Cb 0.35 -1.68 -0.08 0.00 1.02 0.00 0.00 30.24 29.85 3jto n GLN 18 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3jto n LEU 19 N -1.58 0.25 -0.33 1.08 0.00 -1.10 -4.53 117.00 110.78 3jto n LEU 19 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 56.01 55.75 3jto n LEU 19 Cb 0.10 0.00 0.09 0.00 0.00 0.00 0.00 43.42 43.61 3jto n LEU 19 CO 0.02 0.06 1.23 0.28 0.00 0.00 0.00 177.39 178.98 3jto h SER 20 N 0.00 1.04 -0.19 1.96 0.02 -1.15 -2.74 113.55 112.50 3jto h SER 20 Ca 0.00 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3jto h SER 20 Cb 0.42 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3jto h SER 20 CO 0.00 0.78 0.04 -0.33 -1.14 0.00 0.00 176.83 176.18 3jto h GLU 21 N 1.22 0.11 -0.74 3.45 3.07 -1.80 0.04 114.58 119.93 3jto h GLU 21 Ca 0.32 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3jto h GLU 21 Cb -0.10 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.75 3jto h GLU 21 CO -0.07 0.07 0.45 0.77 -1.40 0.00 0.00 179.01 178.83 3jto h SER 22 N 0.11 0.88 -0.51 1.42 0.02 -1.82 -1.21 113.55 112.45 3jto h SER 22 Ca 0.08 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3jto h SER 22 Cb 0.08 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3jto h SER 22 CO -0.11 0.68 0.17 -0.07 -1.14 0.00 0.00 176.83 176.36 3jto h LEU 23 N 1.00 0.74 -0.10 5.07 3.38 -1.14 -2.94 115.31 121.33 3jto h LEU 23 Ca 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3jto h LEU 23 Cb -0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3jto h LEU 23 CO -0.05 0.74 0.06 -0.61 0.09 0.00 0.00 178.44 178.66 3jto h GLN 24 N 0.69 0.13 0.00 1.13 4.15 -0.67 -0.68 115.11 119.87 3jto h GLN 24 Ca 0.17 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3jto h GLN 24 Cb 0.26 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3jto h GLN 24 CO -0.01 0.15 0.00 0.54 -1.93 0.00 0.00 178.83 177.58 3jto n ARG 25 N -4.99 0.00 0.00 1.69 1.74 -0.48 0.59 116.66 115.21 3jto n ARG 25 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3jto n ARG 25 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 3jto n ARG 25 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3jto n ILE 26 N -0.98 0.64 -0.37 0.55 -5.35 -0.95 -4.99 119.36 107.91 3jto n ILE 26 Ca 0.00 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 3jto n ILE 26 Cb 0.00 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 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 -0.32 0.81 3.54 3.28 0.00 0.20 -5.04 105.19 107.66 3jto n GLY 27 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 4.80 -0.11 -0.61 -1.09 -0.30 -4.87 121.20 117.01 3jto s ILE 28 Ca 0.00 0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.80 3jto s ILE 28 Cb 0.00 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 3jto s ILE 28 CO 0.00 -0.54 0.10 0.41 -1.23 0.00 0.00 174.94 173.68 3jto n THR 29 N 5.85 0.00 0.00 2.92 -1.04 -1.26 -3.23 114.28 117.52 3jto n THR 29 Ca -0.00 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 3jto n THR 29 Cb 0.48 0.99 0.00 0.00 -1.82 0.00 0.00 70.33 69.98 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 1.08 1.21 0.00 3.41 0.00 -1.26 -2.76 105.19 106.86 3jto n GLY 30 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.97 3.73 -0.02 0.00 -1.25 -1.92 105.19 112.69 3jto n GLY 31 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.09 4.88 -0.04 2.61 2.01 -0.19 -1.42 115.64 123.40 3jto s THR 32 Ca 0.00 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.01 3jto s THR 32 Cb 0.00 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 3jto s THR 32 CO 0.00 0.55 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.68 3jto s VAL 33 N -0.45 3.34 0.10 3.82 1.01 -0.68 -0.82 120.40 126.72 3jto s VAL 33 Ca 0.10 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.42 3jto s VAL 33 Cb -0.12 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3jto s VAL 33 CO 0.02 0.53 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 3jto s TYR 34 N -0.83 1.27 -0.13 5.22 2.02 -0.45 -0.94 117.35 123.52 3jto s TYR 34 Ca 0.13 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 3jto s TYR 34 Cb -0.11 -0.68 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 3jto s TYR 34 CO 0.03 0.09 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.35 3jto s HIS 35 N -1.99 2.74 -0.28 2.71 5.65 0.49 -1.01 115.29 123.60 3jto s HIS 35 Ca 0.05 -0.81 -0.17 0.00 0.25 0.00 0.00 55.06 54.38 3jto s HIS 35 Cb -0.06 -1.82 0.09 0.00 -1.18 0.00 0.00 32.58 29.62 3jto s HIS 35 CO 0.02 -0.31 0.76 -0.47 -0.65 0.00 0.00 174.74 174.09 3jto s TYR 36 N 0.42 -0.93 -1.42 3.88 5.04 0.30 -0.29 117.35 124.36 3jto s TYR 36 Ca -0.12 1.89 -0.03 0.00 -2.44 0.00 0.00 57.07 56.37 3jto s TYR 36 Cb -0.16 0.54 0.00 0.00 0.35 0.00 0.00 41.96 42.69 3jto s TYR 36 CO 0.06 -0.46 0.46 -0.25 -1.34 0.00 0.00 175.55 174.02 3jto n ASP 37 N 3.99 -5.62 0.00 4.32 8.00 -1.26 -1.31 116.55 124.68 3jto n ASP 37 Ca -0.19 -0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3jto n ASP 37 Cb 0.58 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 3jto n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jto n GLY 38 N -1.38 0.63 3.34 0.44 0.00 -1.26 -5.01 105.19 101.95 3jto n GLY 38 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3jto n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jto s GLN 39 N -0.15 1.32 -0.07 1.61 -1.52 -0.42 -4.90 119.66 115.53 3jto s GLN 39 Ca 0.00 -1.50 -0.04 0.00 -1.95 0.00 0.00 55.36 51.88 3jto s GLN 39 Cb 0.00 -1.27 -0.04 0.00 -0.22 0.00 0.00 33.01 31.48 3jto s GLN 39 CO 0.00 0.24 0.10 0.71 -0.25 0.00 0.00 175.29 176.09 3jto s TYR 40 N -2.42 3.42 -0.05 0.91 2.02 0.36 -0.53 117.35 121.05 3jto s TYR 40 Ca 0.19 0.35 0.04 0.00 -0.37 0.00 0.00 57.07 57.28 3jto s TYR 40 Cb -0.04 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3jto s TYR 40 CO 0.07 0.62 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.45 3jto s PHE 41 N -1.09 1.74 -0.16 2.71 0.08 -0.18 0.67 117.98 121.76 3jto s PHE 41 Ca 0.18 -0.56 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 3jto s PHE 41 Cb -0.12 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 3jto s PHE 41 CO 0.08 -0.21 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.70 3jto s LEU 42 N 0.20 2.69 -0.14 -0.37 2.96 -0.53 -1.34 118.68 122.15 3jto s LEU 42 Ca -0.08 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3jto s LEU 42 Cb -0.13 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3jto s LEU 42 CO 0.03 0.09 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.40 3jto s SER 43 N 0.80 2.95 -0.09 3.68 0.15 -0.00 -2.10 113.70 119.09 3jto s SER 43 Ca -0.04 -0.57 0.04 0.00 0.70 0.00 0.00 55.95 56.08 3jto s SER 43 Cb -0.15 -1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 62.79 3jto s SER 43 CO 0.01 0.05 -0.24 -0.76 1.20 0.00 0.00 173.24 173.50 3jto s LEU 44 N 0.94 2.13 -0.11 3.45 1.43 -0.71 -1.02 118.68 124.79 3jto s LEU 44 Ca -0.05 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.34 3jto s LEU 44 Cb -0.15 -1.41 -0.27 0.00 0.03 0.00 0.00 46.19 44.39 3jto s LEU 44 CO -0.04 0.19 0.57 -0.08 0.23 0.00 0.00 176.35 177.22 3jto h GLU 45 N 6.51 0.21 -3.41 1.70 4.57 -1.88 -2.16 114.58 120.13 3jto h GLU 45 Ca -0.23 -0.36 -0.57 0.00 -1.18 0.00 0.00 59.36 57.02 3jto h GLU 45 Cb 1.22 0.13 -0.40 0.00 -0.16 0.00 0.00 28.75 29.54 3jto h GLU 45 CO 0.48 1.17 -0.76 -0.51 -1.18 0.00 0.00 179.01 178.21 3jto s ASP 46 N -6.95 3.91 -0.05 1.04 1.01 -1.25 -4.05 116.67 110.32 3jto s ASP 46 Ca -0.20 -1.55 0.03 0.00 0.71 0.00 0.00 52.55 51.54 3jto s ASP 46 Cb 0.04 -0.76 0.00 0.00 1.01 0.00 0.00 42.92 43.21 3jto s ASP 46 CO 0.75 -0.42 -0.14 -0.76 0.21 0.00 0.00 175.17 174.81 3jto s LEU 47 N 1.72 1.82 0.56 1.23 1.43 -0.31 -4.81 118.68 120.32 3jto s LEU 47 Ca 0.09 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3jto s LEU 47 Cb -0.17 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 3jto s LEU 47 CO -0.27 0.10 1.06 -0.83 0.23 0.00 0.00 176.35 176.64 3jto s GLY 48 N 0.24 2.29 0.56 -3.19 0.00 -1.26 0.16 107.32 106.12 3jto s GLY 48 Ca -0.07 0.50 0.40 0.00 0.00 0.00 0.00 44.72 45.55 3jto s GLY 48 CO 0.02 0.82 1.70 1.76 0.00 0.00 0.00 173.10 177.41 3jto h SER 49 N 0.86 0.00 0.15 1.64 0.02 -1.93 0.11 113.55 114.40 3jto h SER 49 Ca -0.48 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.11 3jto h SER 49 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 3jto h SER 49 CO 0.58 0.00 -1.97 1.57 -1.14 0.00 0.00 176.83 175.87 3jto n HIS 50 N -4.00 1.28 0.05 3.45 -0.00 -1.26 -2.68 115.22 112.06 3jto n HIS 50 Ca 0.30 0.28 -0.12 0.00 -0.00 0.00 0.00 57.72 58.17 3jto n HIS 50 Cb 1.47 -1.17 -0.07 0.00 -0.00 0.00 0.00 29.99 30.21 3jto n HIS 50 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 3jto h THR 51 N 0.07 0.99 -0.89 3.57 2.02 -1.31 -2.70 112.91 114.66 3jto h THR 51 Ca -0.41 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 66.77 3jto h THR 51 Cb 2.04 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 69.42 3jto h THR 51 CO 0.09 0.02 0.55 0.00 0.37 0.00 0.00 175.52 176.55 3jto h ALA 52 N 0.88 1.25 -0.67 6.16 0.00 -1.04 0.62 119.26 126.46 3jto h ALA 52 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3jto h ALA 52 Cb 0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 3jto h ALA 52 CO 0.01 0.26 0.32 1.49 0.00 0.00 0.00 179.25 181.32 3jto h GLU 53 N 0.97 0.54 -0.03 0.00 4.81 -1.26 0.28 114.58 119.88 3jto h GLU 53 Ca 0.40 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.49 3jto h GLU 53 Cb 0.25 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.51 3jto h GLU 53 CO -0.20 0.36 -0.39 0.78 -0.73 0.00 0.00 179.01 178.82 3jto h GLY 54 N 0.55 0.36 0.04 1.92 0.00 -1.10 -2.56 103.07 102.29 3jto h GLY 54 Ca 0.33 -0.57 0.10 0.00 0.00 0.00 0.00 47.33 47.19 3jto h GLY 54 CO -0.26 0.50 -0.12 -2.08 0.00 0.00 0.00 176.54 174.58 3jto h VAL 55 N -0.22 0.52 -0.82 4.60 2.07 -0.49 -1.75 116.25 120.16 3jto h VAL 55 Ca -0.04 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3jto h VAL 55 Cb 1.09 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 3jto h VAL 55 CO 0.08 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.77 3jto h VAL 56 N 0.00 1.08 -0.62 2.57 2.07 -0.47 -1.19 116.25 119.68 3jto h VAL 56 Ca 0.23 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3jto h VAL 56 Cb 0.35 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3jto h VAL 56 CO -0.49 0.18 0.41 0.00 0.02 0.00 0.00 177.57 177.68 3jto h ALA 57 N 1.37 1.54 0.13 1.67 0.00 -0.89 0.10 119.26 123.19 3jto h ALA 57 Ca 0.35 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 3jto h ALA 57 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3jto h ALA 57 CO -0.15 0.42 -1.32 -0.24 0.00 0.00 0.00 179.25 177.97 3jto h VAL 58 N 0.85 1.42 -0.17 0.00 3.04 -1.02 -3.32 116.25 117.05 3jto h VAL 58 Ca 0.23 -2.99 -0.15 0.00 -1.01 0.00 0.00 66.70 62.78 3jto h VAL 58 Cb -0.09 2.91 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 3jto h VAL 58 CO -0.05 0.87 -0.51 -0.07 -1.01 0.00 0.00 177.57 176.80 3jto h LEU 59 N 0.08 0.52 -1.77 3.16 3.38 -0.92 -3.13 115.31 116.64 3jto h LEU 59 Ca -0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 3jto h LEU 59 Cb 1.99 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 3jto h LEU 59 CO 0.20 0.94 -0.12 0.00 0.09 0.00 0.00 178.44 179.55 3jto h ALA 60 N 1.07 1.16 0.00 1.53 0.00 -1.09 -0.89 119.26 121.05 3jto h ALA 60 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3jto h ALA 60 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3jto h ALA 60 CO 0.09 0.15 0.00 0.39 0.00 0.00 0.00 179.25 179.88 3jto n GLU 61 N -3.47 0.05 0.00 0.00 1.02 -1.18 -3.96 120.64 113.11 3jto n GLU 61 Ca -0.01 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3jto n GLU 61 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.47 0.00 -2.89 -0.32 4.01 -0.86 -5.14 117.16 110.49 3jto n TYR 62 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3jto n TYR 62 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 2.48 4.36 3.28 2.72 0.00 -0.39 -4.82 105.19 112.81 3jto n GLY 63 Ca 0.00 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 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 0.87 2.79 0.30 1.61 0.01 -0.49 -4.47 114.94 115.55 3jto s ASN 64 Ca 0.00 -0.48 -0.26 0.00 -0.71 0.00 0.00 52.86 51.41 3jto s ASN 64 Cb 0.00 -0.28 -0.15 0.00 0.41 0.00 0.00 41.25 41.23 3jto s ASN 64 CO 0.00 0.26 0.68 -2.65 -1.51 0.00 0.00 177.10 173.88 3jto n PRO 65 N 2.24 0.65 -4.18 -0.60 -0.02 -1.26 -0.29 135.00 131.53 3jto n PRO 65 Ca -0.16 0.23 -0.18 0.00 -2.02 0.00 0.00 63.50 61.36 3jto n PRO 65 Cb 0.52 -1.44 -0.12 0.00 -0.02 0.00 0.00 33.50 32.44 3jto n PRO 65 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3jto s THR 66 N -1.18 1.11 -0.25 3.45 -1.32 -1.02 -4.67 115.64 111.76 3jto s THR 66 Ca 0.62 -1.28 0.22 0.00 -1.21 0.00 0.00 61.69 60.04 3jto s THR 66 Cb -0.74 -1.07 -0.21 0.00 -1.51 0.00 0.00 72.50 68.98 3jto s THR 66 CO 0.58 -0.21 0.75 1.07 -2.21 0.00 0.00 174.62 174.60 3jto n THR 67 N 1.32 0.19 -1.74 5.08 5.66 -1.26 -4.81 114.28 118.71 3jto n THR 67 Ca -0.21 -0.43 -0.39 0.00 -3.05 0.00 0.00 64.05 59.97 3jto n THR 67 Cb 0.54 0.02 0.03 0.00 -1.55 0.00 0.00 70.33 69.38 3jto n THR 67 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3jto n LEU 68 N -2.26 5.29 -4.91 1.09 4.32 -1.26 -5.02 117.00 114.25 3jto n LEU 68 Ca -0.01 1.02 -0.27 0.00 -0.02 0.00 0.00 56.01 56.73 3jto n LEU 68 Cb 0.52 -1.58 0.03 0.00 -1.62 0.00 0.00 43.42 40.78 3jto n LEU 68 CO 0.43 -0.49 0.55 0.42 -1.22 0.00 0.00 177.39 177.08 3jto s THR 69 N -1.26 3.71 0.27 -5.08 -4.23 -1.26 -4.97 115.64 102.82 3jto s THR 69 Ca 0.68 0.05 0.22 0.00 -1.18 0.00 0.00 61.69 61.46 3jto s THR 69 Cb -0.43 -3.48 0.20 0.00 1.34 0.00 0.00 72.50 70.13 3jto s THR 69 CO 0.52 -0.50 1.88 -0.29 -0.54 0.00 0.00 174.62 175.68 3jto h ILE 70 N -0.19 0.77 -0.16 2.99 6.09 -1.99 -2.95 117.51 122.06 3jto h ILE 70 Ca -0.45 -1.08 -0.17 0.00 -1.37 0.00 0.00 64.86 61.79 3jto h ILE 70 Cb 1.25 1.67 -0.01 0.00 0.47 0.00 0.00 36.82 40.21 3jto h ILE 70 CO 0.61 0.25 -0.59 1.88 -3.07 0.00 0.00 178.15 177.23 3jto h TYR 71 N 0.00 0.69 -0.16 2.19 0.05 -1.99 -1.05 116.97 116.70 3jto h TYR 71 Ca -0.00 -0.26 -0.14 0.00 0.05 0.00 0.00 58.73 58.38 3jto h TYR 71 Cb 0.65 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3jto h TYR 71 CO 0.00 1.00 -0.49 -0.09 -1.05 0.00 0.00 178.16 177.52 3jto h ARG 72 N 0.40 0.42 -0.40 4.88 2.43 -1.95 -1.73 114.38 118.43 3jto h ARG 72 Ca -0.00 -0.24 -0.15 0.00 -0.81 0.00 0.00 59.98 58.77 3jto h ARG 72 Cb 1.15 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3jto h ARG 72 CO 0.11 0.82 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.97 3jto h LEU 73 N 0.33 1.00 -0.47 3.80 3.38 -1.33 -0.53 115.31 121.50 3jto h LEU 73 Ca 0.02 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 3jto h LEU 73 Cb 0.99 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3jto h LEU 73 CO 0.09 1.24 -0.06 1.56 0.09 0.00 0.00 178.44 181.36 3jto h GLN 74 N 0.78 0.88 0.04 1.13 4.20 -1.15 0.26 115.11 121.24 3jto h GLN 74 Ca 0.07 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3jto h GLN 74 Cb 0.95 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3jto h GLN 74 CO 0.09 0.95 -0.02 1.49 -0.67 0.00 0.00 178.83 180.67 3jto h GLU 75 N 0.73 -0.05 0.00 1.46 4.57 -1.21 -3.38 114.58 116.69 3jto h GLU 75 Ca 0.13 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3jto h GLU 75 Cb 0.59 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3jto h GLU 75 CO 0.04 0.17 -1.52 0.66 -1.18 0.00 0.00 179.01 177.17 3jto n TYR 76 N -5.01 0.00 -2.46 0.92 4.01 -0.21 -5.03 117.16 109.37 3jto n TYR 76 Ca -0.08 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.38 3jto n TYR 76 Cb 0.14 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 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 -3.38 1.54 -0.25 2.72 0.00 0.89 -4.96 107.32 103.88 3jto s GLY 77 Ca -0.04 -0.42 -0.19 0.00 0.00 0.00 0.00 44.72 44.06 3jto s GLY 77 CO 0.45 -0.23 0.57 1.25 0.00 0.00 0.00 173.10 175.14 3jto s LYS 78 N -4.85 4.10 -0.30 2.90 2.47 0.60 -4.78 119.74 119.88 3jto s LYS 78 Ca 0.49 0.44 -0.29 0.00 -1.56 0.00 0.00 55.97 55.06 3jto s LYS 78 Cb -0.10 -3.64 -0.01 0.00 -1.46 0.00 0.00 37.83 32.61 3jto s LYS 78 CO 0.47 -0.37 1.49 -1.17 0.16 0.00 0.00 175.35 175.93 3jto s LEU 79 N 2.36 3.77 -0.14 5.43 2.96 -1.26 -0.38 118.68 131.41 3jto s LEU 79 Ca 0.24 1.26 -0.09 0.00 -0.22 0.00 0.00 54.13 55.32 3jto s LEU 79 Cb -0.16 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 3jto s LEU 79 CO 0.09 -1.30 0.30 -0.38 -1.32 0.00 0.00 176.35 173.74 3jto n ILE 80 N 6.63 1.73 -3.78 6.68 2.08 -0.12 -4.95 119.36 127.63 3jto n ILE 80 Ca 0.17 -0.55 -0.13 0.00 0.56 0.00 0.00 62.75 62.81 3jto n ILE 80 Cb 0.46 -1.77 -0.12 0.00 -0.75 0.00 0.00 39.64 37.46 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 -2.52 0.24 -0.36 0.38 -1.94 -1.09 -4.97 119.30 109.04 3jto s MET 81 Ca -0.24 0.34 0.02 0.00 -1.71 0.00 0.00 55.69 54.10 3jto s MET 81 Cb 0.07 0.08 0.10 0.00 2.01 0.00 0.00 34.83 37.09 3jto s MET 81 CO 0.73 -0.06 0.09 0.34 -0.01 0.00 0.00 175.02 176.11 3jto s ASP 82 N 0.33 4.88 0.00 3.03 2.15 -1.26 -1.68 116.67 124.12 3jto s ASP 82 Ca -0.02 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 50.83 3jto s ASP 82 Cb -0.03 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 3jto s ASP 82 CO -0.01 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 3jto n GLY 83 N 4.33 1.00 0.31 2.66 0.00 -1.17 -4.81 105.19 107.50 3jto n GLY 83 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.61 2.04 -1.14 -3.84 115.26 114.96 3jto n ASN 84 Ca 0.00 -2.47 0.00 0.00 -0.44 0.00 0.00 54.58 51.67 3jto n ASN 84 Cb 0.00 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 36.95 3jto n ASN 84 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3jto n ALA 85 N -0.62 -0.27 -0.22 -2.53 0.00 -0.51 0.82 120.51 117.18 3jto n ALA 85 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.54 3jto n ALA 85 Cb 0.67 0.22 0.13 0.00 0.00 0.00 0.00 19.45 20.48 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 0.56 0.64 0.00 2.07 -1.55 -0.92 116.25 117.05 3jto h VAL 86 Ca 0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3jto h VAL 86 Cb 0.00 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3jto h VAL 86 CO 0.00 0.04 -0.40 -0.08 0.02 0.00 0.00 177.57 177.16 3jto h GLU 87 N 0.24 -0.94 -0.21 1.57 4.81 -1.31 -2.51 114.58 116.22 3jto h GLU 87 Ca 0.35 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.71 3jto h GLU 87 Cb 0.57 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3jto h GLU 87 CO -0.47 -0.63 0.25 1.15 -0.73 0.00 0.00 179.01 178.59 3jto h THR 88 N -0.98 0.40 0.15 0.32 2.02 0.12 -2.77 112.91 112.17 3jto h THR 88 Ca -0.08 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.79 3jto h THR 88 Cb 0.79 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3jto h THR 88 CO 0.08 0.00 -1.54 0.40 0.37 0.00 0.00 175.52 174.83 3jto h ILE 89 N 0.00 1.02 -0.55 3.11 2.04 -1.00 -3.32 117.51 118.80 3jto h ILE 89 Ca 0.10 -2.46 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 3jto h ILE 89 Cb 0.61 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.43 3jto h ILE 89 CO -0.00 0.78 0.16 1.56 0.00 0.00 0.00 178.15 180.65 3jto h GLN 90 N -0.12 0.83 -0.04 2.37 1.08 -1.30 -3.11 115.11 114.83 3jto h GLN 90 Ca -0.31 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3jto h GLN 90 Cb 1.91 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 29.21 3jto h GLN 90 CO 0.12 0.73 0.00 2.41 -0.95 0.00 0.00 178.83 181.14 3jto n THR 91 N -4.29 0.00 -1.38 -0.54 -1.04 -1.06 -5.14 114.28 100.83 3jto n THR 91 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3jto n THR 91 Cb 0.20 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 3jto n THR 91 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84