#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jtn s ILE 3 N 0.00 3.69 -0.09 0.53 1.01 -1.24 -5.06 121.20 120.03 3jtn s ILE 3 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 3jtn s ILE 3 Cb 0.00 -2.65 0.05 0.00 0.01 0.00 0.00 42.46 39.87 3jtn s ILE 3 CO 0.00 0.45 0.19 -0.63 0.00 0.00 0.00 174.94 174.95 3jtn s ILE 4 N 0.91 -0.21 0.01 2.92 1.01 -1.26 -1.83 121.20 122.75 3jtn s ILE 4 Ca -0.00 0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.98 3jtn s ILE 4 Cb -0.15 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 3jtn s ILE 4 CO 0.01 0.11 -0.17 -0.31 0.00 0.00 0.00 174.94 174.59 3jtn s TYR 5 N 1.90 2.60 0.33 3.97 4.12 -0.29 -3.54 117.35 126.43 3jtn s TYR 5 Ca -0.02 -0.23 -0.03 0.00 0.02 0.00 0.00 57.07 56.81 3jtn s TYR 5 Cb -0.12 -1.51 -0.04 0.00 -1.52 0.00 0.00 41.96 38.77 3jtn s TYR 5 CO -0.07 0.23 0.57 1.14 0.02 0.00 0.00 175.55 177.44 3jtn s GLN 6 N -1.23 3.56 0.01 -0.62 -2.07 0.84 -1.32 119.66 118.83 3jtn s GLN 6 Ca 0.14 -0.11 0.03 0.00 -1.82 0.00 0.00 55.36 53.60 3jtn s GLN 6 Cb -0.11 -2.63 -0.01 0.00 -1.09 0.00 0.00 33.01 29.17 3jtn s GLN 6 CO 0.04 0.15 -0.11 -0.06 -1.32 0.00 0.00 175.29 173.99 3jtn s PHE 7 N -2.23 0.96 0.08 9.60 0.08 -0.36 -0.77 117.98 125.33 3jtn s PHE 7 Ca 0.43 -0.26 -0.28 0.00 0.12 0.00 0.00 56.93 56.94 3jtn s PHE 7 Cb -0.10 -0.59 -0.17 0.00 -0.57 0.00 0.00 43.02 41.58 3jtn s PHE 7 CO 0.34 -0.01 1.66 1.25 -0.10 0.00 0.00 175.22 178.36 3jtn h HIS 8 N 5.45 -0.42 -3.93 0.36 -0.00 -1.88 -3.36 115.15 111.37 3jtn h HIS 8 Ca -0.34 -0.01 -0.24 0.00 -0.00 0.00 0.00 60.37 59.78 3jtn h HIS 8 Cb 1.18 0.14 -0.15 0.00 -0.00 0.00 0.00 27.41 28.58 3jtn h HIS 8 CO 0.47 -0.25 -0.67 -1.54 -0.00 0.00 0.00 177.93 175.94 3jtn s SER 9 N -4.81 0.98 0.60 3.26 1.04 -1.26 -4.86 113.70 108.66 3jtn s SER 9 Ca -0.15 -1.13 0.33 0.00 0.48 0.00 0.00 55.95 55.48 3jtn s SER 9 Cb 0.05 0.15 1.94 0.00 0.10 0.00 0.00 66.02 68.25 3jtn s SER 9 CO 0.64 -0.58 2.27 0.15 0.98 0.00 0.00 173.24 176.70 3jtn h PHE 10 N 2.82 0.00 -0.24 5.02 3.57 -1.96 -1.42 116.94 124.73 3jtn h PHE 10 Ca -0.36 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 3jtn h PHE 10 Cb 1.19 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3jtn h PHE 10 CO 0.53 0.01 -0.08 0.93 -2.23 0.00 0.00 178.31 177.47 3jtn h GLU 11 N 0.00 0.38 0.00 1.11 5.08 -1.99 -0.81 114.58 118.35 3jtn h GLU 11 Ca -0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3jtn h GLU 11 Cb 0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3jtn h GLU 11 CO 0.00 0.47 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.84 3jtn h ASP 12 N 0.36 0.00 0.58 1.42 3.32 -1.58 0.98 116.42 121.49 3jtn h ASP 12 Ca 0.07 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.89 3jtn h ASP 12 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3jtn h ASP 12 CO 0.02 0.20 -1.06 0.40 -1.72 0.00 0.00 179.24 177.08 3jtn h ILE 13 N 0.00 1.49 -0.25 0.35 2.04 -1.30 0.04 117.51 119.88 3jtn h ILE 13 Ca -0.00 -2.84 -0.04 0.00 1.00 0.00 0.00 64.86 62.98 3jtn h ILE 13 Cb 0.44 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3jtn h ILE 13 CO 0.03 0.83 -0.01 0.40 0.00 0.00 0.00 178.15 179.39 3jtn h ILE 14 N 0.11 1.26 0.21 -0.67 2.04 -0.11 -0.50 117.51 119.86 3jtn h ILE 14 Ca -0.09 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3jtn h ILE 14 Cb 1.74 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 3jtn h ILE 14 CO 0.17 0.30 -0.10 1.56 0.00 0.00 0.00 178.15 180.08 3jtn h GLN 15 N 0.21 -0.27 -0.88 2.37 4.20 -0.90 -2.31 115.11 117.53 3jtn h GLN 15 Ca 0.07 0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.04 3jtn h GLN 15 Cb 0.44 0.06 -0.15 0.00 0.30 0.00 0.00 27.48 28.13 3jtn h GLN 15 CO 0.02 -0.05 0.18 1.25 -0.67 0.00 0.00 178.83 179.55 3jtn h LEU 16 N -0.44 -0.11 -1.47 1.46 5.85 -0.95 -1.26 115.31 118.38 3jtn h LEU 16 Ca -0.03 0.21 0.17 0.00 0.84 0.00 0.00 57.88 59.08 3jtn h LEU 16 Cb 0.34 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 3jtn h LEU 16 CO 0.05 -0.20 0.56 0.28 -0.34 0.00 0.00 178.44 178.79 3jtn h SER 17 N 0.15 0.47 -0.77 1.25 0.02 -0.49 0.29 113.55 114.47 3jtn h SER 17 Ca 0.55 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.49 3jtn h SER 17 Cb 1.12 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 3jtn h SER 17 CO -0.70 0.22 0.30 -0.08 -1.14 0.00 0.00 176.83 175.42 3jtn h GLU 18 N 0.48 1.15 -0.10 3.45 4.57 -1.19 0.33 114.58 123.28 3jtn h GLU 18 Ca 0.44 -0.21 -0.10 0.00 -1.18 0.00 0.00 59.36 58.31 3jtn h GLU 18 Cb 0.96 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 3jtn h GLU 18 CO -0.17 0.94 -0.32 0.77 -1.18 0.00 0.00 179.01 179.05 3jtn h SER 19 N 1.11 0.45 -0.54 1.04 0.02 -0.54 -0.95 113.55 114.13 3jtn h SER 19 Ca 0.25 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 3jtn h SER 19 Cb 0.22 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3jtn h SER 19 CO -0.02 0.99 0.35 -0.07 -1.14 0.00 0.00 176.83 176.94 3jtn h LEU 20 N -0.06 0.59 -1.11 5.07 3.38 -0.85 -0.67 115.31 121.66 3jtn h LEU 20 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jtn h LEU 20 Cb 0.95 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3jtn h LEU 20 CO 0.07 0.43 0.51 -0.61 0.09 0.00 0.00 178.44 178.93 3jtn h GLN 21 N 0.71 1.12 -0.62 1.13 4.15 -0.94 0.20 115.11 120.87 3jtn h GLN 21 Ca 0.21 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.60 3jtn h GLN 21 Cb -0.05 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 27.34 3jtn h GLN 21 CO -0.06 0.78 0.31 -0.09 -1.93 0.00 0.00 178.83 177.83 3jtn h ARG 22 N 1.14 0.54 -0.88 1.69 2.43 0.22 -2.34 114.38 117.19 3jtn h ARG 22 Ca 0.30 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.23 3jtn h ARG 22 Cb -0.07 -0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 29.24 3jtn h ARG 22 CO -0.06 0.36 0.26 0.44 -1.51 0.00 0.00 179.97 179.46 3jtn n ILE 23 N -4.87 2.25 -1.02 1.20 -5.35 -0.41 -4.88 119.36 106.28 3jtn n ILE 23 Ca 0.08 -1.16 -0.01 0.00 -0.27 0.00 0.00 62.75 61.39 3jtn n ILE 23 Cb 0.20 -0.52 -0.00 0.00 -1.74 0.00 0.00 39.64 37.58 3jtn n ILE 23 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jtn n GLY 24 N -0.18 0.34 3.38 3.28 0.00 -0.88 -4.81 105.19 106.31 3jtn n GLY 24 Ca 0.32 -0.05 -0.45 0.00 0.00 0.00 0.00 46.02 45.84 3jtn n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jtn s ILE 25 N -1.60 4.96 -2.25 -0.61 -1.09 0.65 -4.79 121.20 116.47 3jtn s ILE 25 Ca 0.00 -1.39 0.22 0.00 -2.23 0.00 0.00 60.65 57.25 3jtn s ILE 25 Cb 0.00 -4.54 0.41 0.00 -1.58 0.00 0.00 42.46 36.75 3jtn s ILE 25 CO 0.00 -1.18 1.37 0.41 -1.23 0.00 0.00 174.94 174.31 3jtn n THR 26 N 5.24 0.55 0.00 2.92 -1.04 -1.26 -3.54 114.28 117.15 3jtn n THR 26 Ca 0.01 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 3jtn n THR 26 Cb 0.44 0.93 0.00 0.00 -1.82 0.00 0.00 70.33 69.88 3jtn n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3jtn n GLY 27 N 1.39 0.49 0.00 3.41 0.00 -1.26 -2.55 105.19 106.68 3jtn n GLY 27 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3jtn n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtn n GLY 28 N 5.00 0.22 3.07 -0.02 0.00 -1.25 -0.37 105.19 111.83 3jtn n GLY 28 Ca 0.00 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 3jtn n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jtn s THR 29 N -1.90 1.84 -0.18 2.61 2.01 0.14 -1.39 115.64 118.77 3jtn s THR 29 Ca 0.00 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 3jtn s THR 29 Cb 0.00 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 3jtn s THR 29 CO 0.00 0.43 0.38 -0.69 -0.69 0.00 0.00 174.62 174.05 3jtn s VAL 30 N 1.36 5.22 0.13 3.82 1.01 0.42 -0.15 120.40 132.21 3jtn s VAL 30 Ca 0.03 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.79 3jtn s VAL 30 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3jtn s VAL 30 CO -0.11 0.29 -0.09 -0.31 0.00 0.00 0.00 175.10 174.87 3jtn s TYR 31 N 1.05 2.70 -0.18 5.22 2.02 0.15 -0.94 117.35 127.38 3jtn s TYR 31 Ca 0.19 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.70 3jtn s TYR 31 Cb -0.14 -1.38 -0.00 0.00 -0.40 0.00 0.00 41.96 40.04 3jtn s TYR 31 CO 0.07 0.46 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.81 3jtn s HIS 32 N -1.40 2.85 -0.13 2.71 5.65 0.17 0.48 115.29 125.62 3jtn s HIS 32 Ca 0.23 -1.08 -0.08 0.00 0.25 0.00 0.00 55.06 54.38 3jtn s HIS 32 Cb -0.10 -1.97 0.05 0.00 -1.18 0.00 0.00 32.58 29.37 3jtn s HIS 32 CO 0.14 -0.54 0.31 -0.47 -0.65 0.00 0.00 174.74 173.53 3jtn s TYR 33 N 1.11 -0.41 -1.44 3.88 5.04 0.53 0.87 117.35 126.92 3jtn s TYR 33 Ca 0.00 0.94 -0.09 0.00 -2.44 0.00 0.00 57.07 55.48 3jtn s TYR 33 Cb -0.14 0.13 0.05 0.00 0.35 0.00 0.00 41.96 42.34 3jtn s TYR 33 CO -0.03 -0.25 0.96 -3.47 -1.34 0.00 0.00 175.55 171.42 3jtn n ASP 34 N 3.97 -4.20 -0.61 4.32 2.03 -1.26 -1.29 116.55 119.51 3jtn n ASP 34 Ca -0.22 -0.74 -0.08 0.00 0.52 0.00 0.00 54.79 54.27 3jtn n ASP 34 Cb 0.55 -4.20 -0.03 0.00 -0.72 0.00 0.00 41.12 36.71 3jtn n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jtn n GLY 35 N -1.70 0.92 3.22 0.27 0.00 -1.26 -4.99 105.19 101.64 3jtn n GLY 35 Ca -0.05 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 3jtn n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jtn s GLN 36 N -2.39 0.96 -0.02 1.61 -0.21 -0.41 -5.08 119.66 114.13 3jtn s GLN 36 Ca 0.00 -1.27 -0.11 0.00 0.02 0.00 0.00 55.36 54.00 3jtn s GLN 36 Cb 0.00 -0.67 -0.05 0.00 1.00 0.00 0.00 33.01 33.29 3jtn s GLN 36 CO 0.00 0.11 0.33 0.71 -2.12 0.00 0.00 175.29 174.31 3jtn s TYR 37 N -2.63 3.66 0.03 0.91 2.02 -1.26 -0.35 117.35 119.73 3jtn s TYR 37 Ca 0.10 0.81 0.06 0.00 -0.37 0.00 0.00 57.07 57.66 3jtn s TYR 37 Cb -0.02 -2.15 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3jtn s TYR 37 CO 0.01 0.65 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.41 3jtn s PHE 38 N -1.14 1.45 -0.08 2.71 0.08 0.18 -1.23 117.98 119.96 3jtn s PHE 38 Ca 0.23 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.98 3jtn s PHE 38 Cb -0.15 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 3jtn s PHE 38 CO 0.12 0.04 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.95 3jtn s LEU 39 N -0.96 2.57 -0.07 -0.37 2.96 -0.43 0.34 118.68 122.71 3jtn s LEU 39 Ca 0.05 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3jtn s LEU 39 Cb -0.08 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3jtn s LEU 39 CO 0.01 0.26 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.52 3jtn s SER 40 N -0.25 3.22 0.02 3.68 0.15 0.78 -1.14 113.70 120.16 3jtn s SER 40 Ca 0.01 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.26 3jtn s SER 40 Cb -0.13 -1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 63.13 3jtn s SER 40 CO 0.03 0.23 -0.26 -0.76 1.20 0.00 0.00 173.24 173.68 3jtn s LEU 41 N -0.05 2.11 -0.03 3.45 1.43 -0.76 0.28 118.68 125.10 3jtn s LEU 41 Ca -0.06 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 3jtn s LEU 41 Cb -0.15 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 3jtn s LEU 41 CO 0.05 0.28 -0.03 -1.84 0.23 0.00 0.00 176.35 175.04 3jtn n GLU 42 N 2.08 0.08 -3.82 1.70 0.28 -1.26 -3.70 120.64 115.99 3jtn n GLU 42 Ca -0.16 0.02 -0.36 0.00 -0.16 0.00 0.00 57.16 56.50 3jtn n GLU 42 Cb 0.52 -0.94 -0.11 0.00 1.43 0.00 0.00 31.44 32.33 3jtn n GLU 42 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3jtn s ASP 43 N -4.57 5.52 -0.20 -1.84 -1.08 -1.26 -4.82 116.67 108.42 3jtn s ASP 43 Ca -0.04 -0.05 0.14 0.00 -0.52 0.00 0.00 52.55 52.07 3jtn s ASP 43 Cb 0.01 -1.98 0.75 0.00 -1.46 0.00 0.00 42.92 40.24 3jtn s ASP 43 CO 0.07 0.04 1.65 0.18 0.52 0.00 0.00 175.17 177.63 3jtn n LEU 44 N 4.41 5.26 0.00 -1.34 4.32 -1.26 -4.92 117.00 123.47 3jtn n LEU 44 Ca -0.16 -2.67 0.00 0.00 -0.02 0.00 0.00 56.01 53.16 3jtn n LEU 44 Cb 0.52 -0.66 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 3jtn n LEU 44 CO 0.33 0.63 0.00 0.61 -1.22 0.00 0.00 177.39 177.74 3jtn n GLY 45 N 0.67 2.97 0.16 -0.72 0.00 -1.26 -0.72 105.19 106.29 3jtn n GLY 45 Ca 0.26 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3jtn n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jtn n SER 46 N 2.43 0.49 -4.97 1.61 3.41 -1.26 -4.90 113.62 110.43 3jtn n SER 46 Ca 0.00 -1.43 -0.21 0.00 -0.26 0.00 0.00 58.87 56.97 3jtn n SER 46 Cb 0.00 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3jtn n SER 46 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3jtn s HIS 47 N -1.95 3.28 0.77 7.33 3.76 0.10 -5.11 115.29 123.46 3jtn s HIS 47 Ca 0.33 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 55.22 3jtn s HIS 47 Cb 0.16 -1.96 0.14 0.00 1.11 0.00 0.00 32.58 32.03 3jtn s HIS 47 CO 0.26 0.03 1.06 -0.08 -0.85 0.00 0.00 174.74 175.16 3jtn s THR 48 N -2.25 2.11 0.03 1.30 -1.32 -1.26 -4.73 115.64 109.53 3jtn s THR 48 Ca 0.43 -0.46 -0.18 0.00 -1.21 0.00 0.00 61.69 60.26 3jtn s THR 48 Cb -0.10 -2.64 -0.23 0.00 -1.51 0.00 0.00 72.50 68.02 3jtn s THR 48 CO 0.33 0.00 1.14 0.00 -2.21 0.00 0.00 174.62 173.88 3jtn h ALA 49 N -0.76 0.11 -0.94 11.08 0.00 -1.99 -2.95 119.26 123.80 3jtn h ALA 49 Ca -0.38 -0.60 0.04 0.00 0.00 0.00 0.00 54.91 53.98 3jtn h ALA 49 Cb 1.26 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3jtn h ALA 49 CO 0.40 0.45 0.61 0.93 0.00 0.00 0.00 179.25 181.64 3jtn h GLU 50 N 0.07 1.13 0.58 0.00 3.07 -1.97 0.33 114.58 117.78 3jtn h GLU 50 Ca -0.08 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.68 3jtn h GLU 50 Cb 1.40 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3jtn h GLU 50 CO 0.14 0.75 -0.32 0.78 -1.40 0.00 0.00 179.01 178.95 3jtn h GLY 51 N 1.16 -0.89 0.87 -3.84 0.00 -1.95 0.58 103.07 99.01 3jtn h GLY 51 Ca 0.39 0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.99 3jtn h GLY 51 CO -0.14 -0.32 -0.16 -2.08 0.00 0.00 0.00 176.54 173.84 3jtn h VAL 52 N -0.84 1.31 -0.31 4.60 2.07 -1.31 -2.72 116.25 119.03 3jtn h VAL 52 Ca -0.07 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.21 3jtn h VAL 52 Cb 0.67 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3jtn h VAL 52 CO 0.10 0.40 0.08 0.58 0.02 0.00 0.00 177.57 178.74 3jtn h VAL 53 N 0.27 0.87 -0.73 2.57 2.07 -0.39 0.29 116.25 121.20 3jtn h VAL 53 Ca 0.05 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.67 3jtn h VAL 53 Cb 0.69 0.65 -0.12 0.00 -1.52 0.00 0.00 31.29 30.99 3jtn h VAL 53 CO 0.04 0.04 0.10 0.00 0.02 0.00 0.00 177.57 177.77 3jtn h ALA 54 N 1.22 0.87 -0.07 1.67 0.00 -0.76 0.34 119.26 122.52 3jtn h ALA 54 Ca 0.14 0.20 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 3jtn h ALA 54 Cb 0.14 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3jtn h ALA 54 CO -0.18 -0.39 -0.69 -0.39 0.00 0.00 0.00 179.25 177.60 3jtn h VAL 55 N 0.18 1.39 -0.90 0.00 -1.51 -1.02 -3.02 116.25 111.37 3jtn h VAL 55 Ca 0.41 -2.12 0.03 0.00 -1.23 0.00 0.00 66.70 63.80 3jtn h VAL 55 Cb 0.72 2.09 -0.05 0.00 -2.13 0.00 0.00 31.29 31.92 3jtn h VAL 55 CO -0.57 0.63 0.58 -0.07 -1.23 0.00 0.00 177.57 176.91 3jtn h LEU 56 N 0.23 0.97 -2.01 4.19 3.38 0.25 -2.24 115.31 120.08 3jtn h LEU 56 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3jtn h LEU 56 Cb 1.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3jtn h LEU 56 CO 0.11 0.66 -0.10 0.00 0.09 0.00 0.00 178.44 179.21 3jtn h ALA 57 N 1.37 1.31 0.00 1.53 0.00 -0.36 0.17 119.26 123.28 3jtn h ALA 57 Ca 0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3jtn h ALA 57 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3jtn h ALA 57 CO -0.12 0.12 -0.25 0.93 0.00 0.00 0.00 179.25 179.93 3jtn h GLU 58 N 0.00 0.00 0.00 0.00 5.08 -1.38 -3.33 114.58 114.95 3jtn h GLU 58 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3jtn h GLU 58 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3jtn h GLU 58 CO 0.01 0.25 -1.50 0.66 -1.00 0.00 0.00 179.01 177.44 3jtn n TYR 59 N -3.89 0.00 -4.05 4.33 4.01 -0.41 -5.07 117.16 112.07 3jtn n TYR 59 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 3jtn n TYR 59 Cb 0.34 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 39.01 3jtn n TYR 59 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jtn n GLY 60 N 2.33 3.16 3.35 2.72 0.00 0.45 -4.59 105.19 112.61 3jtn n GLY 60 Ca -0.09 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 3jtn n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jtn s ASN 61 N -2.23 2.95 1.04 1.61 0.01 0.05 -4.17 114.94 114.20 3jtn s ASN 61 Ca 0.20 -0.77 -0.11 0.00 -0.71 0.00 0.00 52.86 51.46 3jtn s ASN 61 Cb 0.01 -0.19 0.21 0.00 0.41 0.00 0.00 41.25 41.69 3jtn s ASN 61 CO 0.14 0.09 1.06 -2.65 -1.51 0.00 0.00 177.10 174.23 3jtn n PRO 62 N 0.73 -1.41 -4.03 -0.60 -0.02 -1.26 -0.12 135.00 128.30 3jtn n PRO 62 Ca -0.17 -0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 60.84 3jtn n PRO 62 Cb 0.54 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 3jtn n PRO 62 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3jtn s THR 63 N -2.52 0.34 -1.81 3.45 -1.32 -1.23 -4.41 115.64 108.13 3jtn s THR 63 Ca 0.67 -0.93 0.27 0.00 -1.21 0.00 0.00 61.69 60.50 3jtn s THR 63 Cb -0.24 -0.43 0.37 0.00 -1.51 0.00 0.00 72.50 70.69 3jtn s THR 63 CO 0.62 -0.39 1.69 0.35 -2.21 0.00 0.00 174.62 174.68 3jtn n THR 64 N 1.65 0.00 -1.01 5.08 -2.24 -1.26 -4.93 114.28 111.57 3jtn n THR 64 Ca -0.22 -0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 3jtn n THR 64 Cb 0.55 0.23 0.10 0.00 -2.10 0.00 0.00 70.33 69.12 3jtn n THR 64 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3jtn n LEU 65 N -0.66 0.80 -4.95 3.22 4.32 -1.26 -5.01 117.00 113.46 3jtn n LEU 65 Ca 0.14 0.46 -0.21 0.00 -0.02 0.00 0.00 56.01 56.38 3jtn n LEU 65 Cb 0.32 -1.25 -0.02 0.00 -1.62 0.00 0.00 43.42 40.85 3jtn n LEU 65 CO 0.24 -3.18 -0.06 0.42 -1.22 0.00 0.00 177.39 173.59 3jtn s THR 66 N -2.18 5.16 0.27 -5.08 -4.23 -1.26 -4.99 115.64 103.34 3jtn s THR 66 Ca 0.62 -1.03 0.20 0.00 -1.18 0.00 0.00 61.69 60.31 3jtn s THR 66 Cb -0.27 -3.80 0.18 0.00 1.34 0.00 0.00 72.50 69.95 3jtn s THR 66 CO 0.62 -0.32 1.86 -0.29 -0.54 0.00 0.00 174.62 175.94 3jtn h ILE 67 N 1.23 0.83 0.27 2.99 6.09 -1.98 -2.11 117.51 124.83 3jtn h ILE 67 Ca -0.51 -1.15 -0.01 0.00 -1.37 0.00 0.00 64.86 61.82 3jtn h ILE 67 Cb 1.23 1.70 0.00 0.00 0.47 0.00 0.00 36.82 40.22 3jtn h ILE 67 CO 0.61 0.28 -0.13 0.22 -3.07 0.00 0.00 178.15 176.06 3jtn h TYR 68 N 0.00 -0.33 -0.99 2.19 3.20 -1.98 0.43 116.97 119.49 3jtn h TYR 68 Ca -0.00 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.97 3jtn h TYR 68 Cb 0.67 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.97 3jtn h TYR 68 CO 0.00 -0.15 0.62 -0.09 -1.64 0.00 0.00 178.16 176.91 3jtn h ARG 69 N -0.44 0.99 -0.08 1.82 9.65 -1.90 -0.57 114.38 123.86 3jtn h ARG 69 Ca -0.04 -0.06 -0.18 0.00 -1.10 0.00 0.00 59.98 58.60 3jtn h ARG 69 Cb 0.33 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3jtn h ARG 69 CO 0.06 0.66 -0.72 -0.07 2.80 0.00 0.00 179.97 182.69 3jtn h LEU 70 N 1.02 0.47 0.00 3.80 3.38 -1.09 -2.27 115.31 120.63 3jtn h LEU 70 Ca 0.48 -0.31 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 3jtn h LEU 70 Cb 0.41 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3jtn h LEU 70 CO -0.24 1.05 -1.36 0.06 0.09 0.00 0.00 178.44 178.04 3jtn h GLN 71 N 0.27 0.00 0.00 1.13 3.07 0.44 -0.65 115.11 119.37 3jtn h GLN 71 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.65 3jtn h GLN 71 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.85 3jtn h GLN 71 CO 0.12 0.59 -1.55 -1.91 0.09 0.00 0.00 178.83 176.17 3jtn n GLU 72 N -3.11 0.63 0.00 0.06 4.07 -0.27 -4.57 120.64 117.45 3jtn n GLU 72 Ca -0.09 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 3jtn n GLU 72 Cb 0.95 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.65 3jtn n GLU 72 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3jtn n TYR 73 N -2.56 0.00 -2.82 4.31 4.01 -0.86 -5.07 117.16 114.16 3jtn n TYR 73 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.48 3jtn n TYR 73 Cb 0.65 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.74 3jtn n TYR 73 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3jtn s GLY 74 N -0.87 1.81 -0.22 2.72 0.00 -0.25 -4.94 107.32 105.57 3jtn s GLY 74 Ca 0.00 -1.74 -0.11 0.00 0.00 0.00 0.00 44.72 42.87 3jtn s GLY 74 CO 0.00 -1.36 0.18 1.25 0.00 0.00 0.00 173.10 173.17 3jtn s LYS 75 N -4.73 4.12 -0.44 2.90 2.47 0.25 -4.80 119.74 119.51 3jtn s LYS 75 Ca 0.60 -0.20 -0.27 0.00 -1.56 0.00 0.00 55.97 54.55 3jtn s LYS 75 Cb -0.08 -3.51 0.02 0.00 -1.46 0.00 0.00 37.83 32.81 3jtn s LYS 75 CO 0.39 0.11 1.01 -1.17 0.16 0.00 0.00 175.35 175.85 3jtn s LEU 76 N 0.89 3.88 -0.21 5.43 2.96 -1.26 0.41 118.68 130.77 3jtn s LEU 76 Ca 0.09 0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 54.28 3jtn s LEU 76 Cb -0.13 -3.35 -0.19 0.00 0.50 0.00 0.00 46.19 43.02 3jtn s LEU 76 CO 0.03 -1.06 0.03 -0.38 -1.32 0.00 0.00 176.35 173.65 3jtn n ILE 77 N 6.42 1.59 -3.66 6.68 2.08 -0.12 -4.92 119.36 127.43 3jtn n ILE 77 Ca 0.09 -0.35 -0.16 0.00 0.56 0.00 0.00 62.75 62.88 3jtn n ILE 77 Cb 0.48 -1.83 -0.15 0.00 -0.75 0.00 0.00 39.64 37.39 3jtn n ILE 77 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 3jtn s MET 78 N -2.47 0.06 -0.41 0.38 -1.94 -0.96 -4.96 119.30 108.99 3jtn s MET 78 Ca -0.31 0.58 -0.14 0.00 -1.71 0.00 0.00 55.69 54.11 3jtn s MET 78 Cb 0.09 -0.27 0.03 0.00 2.01 0.00 0.00 34.83 36.69 3jtn s MET 78 CO 0.61 -0.32 0.29 0.34 -0.01 0.00 0.00 175.02 175.93 3jtn s ASP 79 N 2.32 6.02 0.00 3.03 2.15 -1.26 -0.44 116.67 128.49 3jtn s ASP 79 Ca 0.03 -1.00 0.00 0.00 0.43 0.00 0.00 52.55 52.01 3jtn s ASP 79 Cb -0.12 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 3jtn s ASP 79 CO -0.06 -0.47 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 3jtn n GLY 80 N 5.12 1.36 0.80 2.66 0.00 -0.62 -4.69 105.19 109.83 3jtn n GLY 80 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.95 3jtn n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jtn n ASN 81 N 0.00 0.99 -0.18 1.61 0.23 -1.02 -3.94 115.26 112.94 3jtn n ASN 81 Ca 0.00 -2.48 -0.09 0.00 -0.53 0.00 0.00 54.58 51.48 3jtn n ASN 81 Cb 0.00 -0.32 -0.04 0.00 -2.08 0.00 0.00 39.78 37.33 3jtn n ASN 81 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3jtn h ALA 82 N 0.51 -0.38 -0.53 -2.53 0.00 -0.89 0.18 119.26 115.63 3jtn h ALA 82 Ca -0.08 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3jtn h ALA 82 Cb 1.45 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 20.17 3jtn h ALA 82 CO 0.04 -0.85 -0.04 0.28 0.00 0.00 0.00 179.25 178.67 3jtn h VAL 83 N -0.26 1.26 0.03 0.00 2.07 -0.82 -0.76 116.25 117.77 3jtn h VAL 83 Ca 0.16 -1.15 -0.22 0.00 0.82 0.00 0.00 66.70 66.32 3jtn h VAL 83 Cb 0.57 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3jtn h VAL 83 CO -0.65 0.41 -0.98 1.05 0.02 0.00 0.00 177.57 177.41 3jtn h GLU 84 N 0.85 0.21 -0.34 1.57 4.11 -1.17 0.19 114.58 120.00 3jtn h GLU 84 Ca 0.15 -0.27 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 3jtn h GLU 84 Cb 0.56 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3jtn h GLU 84 CO 0.03 1.04 0.17 1.15 0.07 0.00 0.00 179.01 181.47 3jtn h THR 85 N 0.10 1.15 0.21 -1.06 2.02 -0.47 -0.57 112.91 114.29 3jtn h THR 85 Ca -0.06 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 3jtn h THR 85 Cb 1.65 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3jtn h THR 85 CO 0.15 0.15 -0.10 0.40 0.37 0.00 0.00 175.52 176.50 3jtn h ILE 86 N 0.41 0.88 0.00 3.11 2.04 -1.03 -3.10 117.51 119.83 3jtn h ILE 86 Ca 0.12 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3jtn h ILE 86 Cb 0.09 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3jtn h ILE 86 CO -0.02 0.14 -0.05 1.56 0.00 0.00 0.00 178.15 179.78 3jtn h GLN 87 N -0.61 0.00 -0.02 2.37 1.08 -0.63 0.75 115.11 118.05 3jtn h GLN 87 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3jtn h GLN 87 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3jtn h GLN 87 CO 0.05 0.05 0.00 -2.37 -0.95 0.00 0.00 178.83 175.61 3jtn n THR 88 N -3.71 0.03 0.00 -0.54 5.66 -0.22 -3.64 114.28 111.85 3jtn n THR 88 Ca -0.02 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 3jtn n THR 88 Cb 0.15 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3jtn n THR 88 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3jtn n HIS 89 N -0.59 0.00 0.75 1.09 8.25 0.02 -5.05 115.22 119.68 3jtn n HIS 89 Ca 0.10 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.65 3jtn n HIS 89 Cb 0.07 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.25 3jtn n HIS 89 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17