#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj6 s SER 2 N 0.00 0.44 0.17 6.12 0.01 -1.26 -5.17 113.70 114.01 1sj6 s SER 2 Ca 0.00 -0.55 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 1sj6 s SER 2 Cb 0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1sj6 s SER 2 CO 0.00 -0.29 0.29 -0.83 0.41 0.00 0.00 173.24 172.82 1sj6 s GLY 3 N -1.60 0.53 0.18 3.44 0.00 -1.26 -5.15 107.32 103.46 1sj6 s GLY 3 Ca -0.13 -0.92 0.10 0.00 0.00 0.00 0.00 44.72 43.77 1sj6 s GLY 3 CO -0.01 -0.85 -0.17 1.08 0.00 0.00 0.00 173.10 173.15 1sj6 s LEU 4 N -2.98 2.70 -0.32 0.66 1.02 -1.26 -3.51 118.68 114.99 1sj6 s LEU 4 Ca 0.19 -0.70 0.01 0.00 0.02 0.00 0.00 54.13 53.64 1sj6 s LEU 4 Cb 0.03 -1.43 0.10 0.00 0.02 0.00 0.00 46.19 44.91 1sj6 s LEU 4 CO 0.01 0.12 0.08 0.00 0.02 0.00 0.00 176.35 176.58 1sj6 s ARG 5 N -2.66 1.01 -0.05 1.70 1.70 0.20 -3.38 118.95 117.46 1sj6 s ARG 5 Ca 0.22 -1.35 -0.30 0.00 -0.47 0.00 0.00 55.73 53.84 1sj6 s ARG 5 Cb -0.09 -2.43 -0.02 0.00 -0.57 0.00 0.00 34.95 31.84 1sj6 s ARG 5 CO 0.12 -0.96 0.99 0.08 -1.08 0.00 0.00 175.30 174.46 1sj6 s VAL 6 N 1.36 4.82 0.26 4.99 1.01 -1.14 -2.72 120.40 128.98 1sj6 s VAL 6 Ca 0.10 2.05 -0.15 0.00 0.00 0.00 0.00 61.98 63.98 1sj6 s VAL 6 Cb -0.18 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 1sj6 s VAL 6 CO -0.19 0.08 0.67 -0.31 0.00 0.00 0.00 175.10 175.36 1sj6 s TYR 7 N 1.53 3.47 0.36 5.22 2.02 -0.32 0.10 117.35 129.73 1sj6 s TYR 7 Ca 0.50 1.16 -0.17 0.00 -0.37 0.00 0.00 57.07 58.19 1sj6 s TYR 7 Cb -0.20 -2.48 0.05 0.00 -0.40 0.00 0.00 41.96 38.93 1sj6 s TYR 7 CO 0.23 0.22 0.77 0.45 -1.57 0.00 0.00 175.55 175.65 1sj6 s SER 8 N -2.09 -0.06 -0.23 2.29 0.15 -0.99 -3.36 113.70 109.41 1sj6 s SER 8 Ca 0.48 -1.01 -0.00 0.00 0.70 0.00 0.00 55.95 56.13 1sj6 s SER 8 Cb -0.12 0.82 0.06 0.00 -1.71 0.00 0.00 66.02 65.07 1sj6 s SER 8 CO 0.19 -1.60 -0.02 0.28 1.20 0.00 0.00 173.24 173.28 1sj6 s THR 9 N -2.74 1.25 0.14 6.45 -1.32 -1.26 -1.92 115.64 116.25 1sj6 s THR 9 Ca 0.14 -1.06 -0.17 0.00 -1.21 0.00 0.00 61.69 59.40 1sj6 s THR 9 Cb -0.05 -1.59 -0.00 0.00 -1.51 0.00 0.00 72.50 69.34 1sj6 s THR 9 CO 0.10 -0.15 1.79 -1.28 -2.21 0.00 0.00 174.62 172.87 1sj6 h SER 10 N 8.03 0.44 0.44 8.08 0.87 -1.93 -3.26 113.55 126.21 1sj6 h SER 10 Ca -0.17 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1sj6 h SER 10 Cb 1.08 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1sj6 h SER 10 CO 0.39 0.35 -0.21 0.58 -0.53 0.00 0.00 176.83 177.41 1sj6 h VAL 11 N 0.49 0.00 -1.50 2.23 2.07 -1.95 -3.49 116.25 114.10 1sj6 h VAL 11 Ca 0.13 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1sj6 h VAL 11 Cb -0.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1sj6 h VAL 11 CO -0.03 0.00 0.00 0.41 0.02 0.00 0.00 177.57 177.97 1sj6 n THR 12 N -4.94 0.00 0.00 2.57 -1.04 -1.23 -5.00 114.28 104.64 1sj6 n THR 12 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1sj6 n THR 12 Cb 0.23 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1sj6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sj6 n GLY 13 N 0.00 0.38 0.33 3.41 0.00 -1.26 -4.98 105.19 103.08 1sj6 n GLY 13 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1sj6 n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sj6 h SER 14 N 0.06 0.00 0.00 1.61 4.64 -2.00 -3.45 113.55 114.41 1sj6 h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sj6 h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sj6 h SER 14 CO 0.00 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.82 1sj6 n ARG 15 N -4.21 0.00 -0.12 4.77 0.63 -1.26 -4.72 116.66 111.75 1sj6 n ARG 15 Ca 0.04 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.81 1sj6 n ARG 15 Cb 0.38 -0.93 -0.13 0.00 0.45 0.00 0.00 32.46 32.23 1sj6 n ARG 15 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1sj6 n GLU 16 N -2.00 0.67 0.13 -0.14 1.02 -1.26 -4.39 120.64 114.67 1sj6 n GLU 16 Ca 0.00 0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.26 1sj6 n GLU 16 Cb 0.00 -1.51 0.30 0.00 -0.02 0.00 0.00 31.44 30.22 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1sj6 h ILE 17 N 0.00 1.27 -0.37 -3.67 2.04 -1.96 -2.60 117.51 112.22 1sj6 h ILE 17 Ca -0.56 -1.31 0.09 0.00 1.00 0.00 0.00 64.86 64.09 1sj6 h ILE 17 Cb 1.95 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.63 1sj6 h ILE 17 CO -0.06 0.39 0.26 0.11 0.00 0.00 0.00 178.15 178.84 1sj6 h LYS 18 N 0.12 0.08 0.01 2.37 1.57 -1.94 -0.74 116.57 118.05 1sj6 h LYS 18 Ca 0.01 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.51 1sj6 h LYS 18 Cb 0.68 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 1sj6 h LYS 18 CO 0.05 0.06 -1.61 0.66 -0.57 0.00 0.00 179.45 178.04 1sj6 h SER 19 N 0.09 0.02 -0.27 0.86 4.64 -1.70 -3.19 113.55 114.00 1sj6 h SER 19 Ca 0.17 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1sj6 h SER 19 Cb 0.58 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1sj6 h SER 19 CO -0.02 1.04 0.05 1.56 -0.87 0.00 0.00 176.83 178.59 1sj6 h GLN 20 N 0.00 0.44 -0.17 4.77 7.50 -0.90 -0.64 115.11 126.12 1sj6 h GLN 20 Ca -0.25 -0.12 -0.12 0.00 0.50 0.00 0.00 58.65 58.67 1sj6 h GLN 20 Cb 1.98 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 29.45 1sj6 h GLN 20 CO 0.09 0.56 -0.40 -0.56 -1.50 0.00 0.00 178.83 177.02 1sj6 h GLN 21 N 0.26 0.39 -0.29 1.46 3.07 -1.35 -2.28 115.11 116.37 1sj6 h GLN 21 Ca 0.08 -0.19 -0.08 0.00 0.09 0.00 0.00 58.65 58.55 1sj6 h GLN 21 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 1sj6 h GLN 21 CO 0.00 0.73 -0.15 0.77 0.09 0.00 0.00 178.83 180.28 1sj6 h SER 22 N 0.33 0.63 -0.32 0.06 0.02 -1.51 -2.15 113.55 110.60 1sj6 h SER 22 Ca 0.03 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1sj6 h SER 22 Cb 0.85 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1sj6 h SER 22 CO 0.07 0.90 0.11 -0.08 -1.14 0.00 0.00 176.83 176.69 1sj6 h GLU 23 N 0.35 0.49 -0.39 3.45 4.22 -1.05 0.44 114.58 122.08 1sj6 h GLU 23 Ca 0.06 -0.10 0.02 0.00 0.08 0.00 0.00 59.36 59.42 1sj6 h GLU 23 Cb 0.67 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1sj6 h GLU 23 CO 0.04 0.52 0.23 0.28 -2.18 0.00 0.00 179.01 177.90 1sj6 h VAL 24 N 0.36 1.04 -0.08 0.32 2.07 -1.41 -2.14 116.25 116.41 1sj6 h VAL 24 Ca 0.10 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1sj6 h VAL 24 Cb 0.23 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1sj6 h VAL 24 CO -0.00 0.08 -0.40 0.71 0.02 0.00 0.00 177.57 177.98 1sj6 h THR 25 N 0.47 1.30 -0.87 2.57 1.35 -1.27 -2.10 112.91 114.36 1sj6 h THR 25 Ca 0.16 -1.46 0.04 0.00 -0.55 0.00 0.00 66.41 64.59 1sj6 h THR 25 Cb 0.01 1.69 -0.05 0.00 -1.73 0.00 0.00 68.15 68.07 1sj6 h THR 25 CO -0.07 0.43 0.57 -0.09 -0.25 0.00 0.00 175.52 176.11 1sj6 h ARG 26 N 0.14 1.05 0.00 4.72 9.65 -0.25 0.69 114.38 130.38 1sj6 h ARG 26 Ca 0.01 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1sj6 h ARG 26 Cb 0.77 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1sj6 h ARG 26 CO 0.06 0.69 -0.08 0.82 2.80 0.00 0.00 179.97 184.27 1sj6 h ILE 27 N 1.08 1.43 0.26 1.20 2.04 -1.28 -2.41 117.51 119.83 1sj6 h ILE 27 Ca 0.35 -2.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 1sj6 h ILE 27 Cb 0.03 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1sj6 h ILE 27 CO -0.10 0.49 -0.13 -0.07 0.00 0.00 0.00 178.15 178.34 1sj6 h LEU 28 N -1.00 -0.30 -0.00 1.44 3.38 -1.30 -0.03 115.31 117.49 1sj6 h LEU 28 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sj6 h LEU 28 Cb 0.85 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1sj6 h LEU 28 CO -0.01 -0.18 0.00 -0.78 0.09 0.00 0.00 178.44 177.56 1sj6 h ASP 29 N -0.40 0.00 -0.27 -0.43 1.82 0.22 -2.16 116.42 115.21 1sj6 h ASP 29 Ca -0.04 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1sj6 h ASP 29 Cb 0.30 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1sj6 h ASP 29 CO 0.06 0.02 0.19 1.23 -1.61 0.00 0.00 179.24 179.12 1sj6 h GLY 30 N -0.01 0.14 1.75 -0.78 0.00 -1.36 0.22 103.07 103.03 1sj6 h GLY 30 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sj6 h GLY 30 CO -0.00 0.04 0.00 0.28 0.00 0.00 0.00 176.54 176.86 1sj6 n LYS 31 N -4.48 0.23 -3.37 4.80 5.02 -0.03 -4.91 118.16 115.41 1sj6 n LYS 31 Ca 0.03 0.04 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 1sj6 n LYS 31 Cb 0.27 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1sj6 n LYS 31 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sj6 n ARG 32 N -1.37 -6.50 -2.74 1.97 1.74 0.77 -5.00 116.66 105.53 1sj6 n ARG 32 Ca 0.10 0.75 -0.29 0.00 -0.77 0.00 0.00 57.85 57.65 1sj6 n ARG 32 Cb 0.25 -5.53 -0.01 0.00 -1.02 0.00 0.00 32.46 26.15 1sj6 n ARG 32 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1sj6 s ILE 33 N -3.31 4.86 -0.97 0.55 1.01 -1.08 -4.99 121.20 117.28 1sj6 s ILE 33 Ca 0.24 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 1sj6 s ILE 33 Cb -0.10 -3.81 0.27 0.00 0.01 0.00 0.00 42.46 38.83 1sj6 s ILE 33 CO 0.65 -0.70 2.08 1.67 0.00 0.00 0.00 174.94 178.64 1sj6 n GLN 34 N -1.82 4.24 -3.44 2.79 -0.06 -1.26 -4.91 117.38 112.92 1sj6 n GLN 34 Ca 0.01 -3.91 -0.19 0.00 -2.00 0.00 0.00 57.00 50.91 1sj6 n GLN 34 Cb 0.55 -2.41 -0.02 0.00 -4.06 0.00 0.00 30.24 24.30 1sj6 n GLN 34 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 1sj6 s TYR 35 N -3.47 2.85 0.53 3.69 1.13 -1.26 -4.84 117.35 115.98 1sj6 s TYR 35 Ca 0.47 -0.38 0.01 0.00 -1.41 0.00 0.00 57.07 55.77 1sj6 s TYR 35 Cb 0.28 -2.12 0.01 0.00 -1.10 0.00 0.00 41.96 39.03 1sj6 s TYR 35 CO -0.22 -0.12 0.10 0.00 -2.51 0.00 0.00 175.55 172.80 1sj6 n GLN 36 N -1.61 0.72 -3.63 -3.49 10.64 -1.22 -5.07 117.38 113.72 1sj6 n GLN 36 Ca 0.03 -3.74 -0.29 0.00 -1.83 0.00 0.00 57.00 51.17 1sj6 n GLN 36 Cb 0.60 0.87 -0.14 0.00 -0.86 0.00 0.00 30.24 30.70 1sj6 n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1sj6 s LEU 37 N 0.00 1.68 -1.30 2.61 0.20 -1.26 -2.89 118.68 117.72 1sj6 s LEU 37 Ca 0.07 -1.82 -0.18 0.00 0.69 0.00 0.00 54.13 52.90 1sj6 s LEU 37 Cb -0.01 -0.69 0.06 0.00 -0.43 0.00 0.00 46.19 45.13 1sj6 s LEU 37 CO 0.05 -0.38 1.77 1.33 -0.29 0.00 0.00 176.35 178.83 1sj6 n VAL 38 N 4.58 3.83 -2.63 1.68 0.24 0.29 -4.89 118.33 121.44 1sj6 n VAL 38 Ca 0.01 -3.96 -0.43 0.00 -2.04 0.00 0.00 64.34 57.92 1sj6 n VAL 38 Cb 0.40 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.39 1sj6 n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sj6 s ASP 39 N 4.28 7.12 0.14 -1.34 -1.08 -1.26 -3.25 116.67 121.28 1sj6 s ASP 39 Ca 0.54 1.49 0.26 0.00 -0.52 0.00 0.00 52.55 54.32 1sj6 s ASP 39 Cb 0.04 -2.55 0.95 0.00 -1.46 0.00 0.00 42.92 39.91 1sj6 s ASP 39 CO 0.07 -0.62 1.80 2.30 0.52 0.00 0.00 175.17 179.25 1sj6 n ILE 40 N 5.07 0.45 0.27 4.11 -5.35 -0.81 -3.30 119.36 119.81 1sj6 n ILE 40 Ca 0.11 -0.11 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 1sj6 n ILE 40 Cb 0.47 -0.64 0.75 0.00 -1.74 0.00 0.00 39.64 38.48 1sj6 n ILE 40 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1sj6 h SER 41 N 0.00 0.00 0.28 7.28 0.87 -1.91 -3.21 113.55 116.85 1sj6 h SER 41 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1sj6 h SER 41 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1sj6 h SER 41 CO 0.00 0.10 -0.14 -0.61 -0.53 0.00 0.00 176.83 175.66 1sj6 h GLN 42 N 0.00 -0.36 0.00 2.24 4.15 -1.91 -3.47 115.11 115.76 1sj6 h GLN 42 Ca -0.00 0.02 -0.36 0.00 0.77 0.00 0.00 58.65 59.09 1sj6 h GLN 42 Cb 0.31 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1sj6 h GLN 42 CO 0.01 -0.24 -0.20 -3.47 -1.93 0.00 0.00 178.83 173.00 1sj6 n ASP 43 N -3.02 2.28 -0.01 -0.69 2.03 -1.21 -5.06 116.55 110.88 1sj6 n ASP 43 Ca -0.05 -2.18 0.11 0.00 0.52 0.00 0.00 54.79 53.19 1sj6 n ASP 43 Cb 0.15 0.05 -0.17 0.00 -0.72 0.00 0.00 41.12 40.43 1sj6 n ASP 43 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1sj6 n ASN 44 N -1.68 0.05 0.09 1.67 3.02 -1.26 -4.32 115.26 112.83 1sj6 n ASN 44 Ca -0.05 -0.05 -0.03 0.00 -0.03 0.00 0.00 54.58 54.42 1sj6 n ASN 44 Cb 0.37 1.95 0.18 0.00 -0.61 0.00 0.00 39.78 41.68 1sj6 n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sj6 h ALA 45 N 2.05 1.00 -0.58 5.41 0.00 -1.97 -2.84 119.26 122.33 1sj6 h ALA 45 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1sj6 h ALA 45 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1sj6 h ALA 45 CO 0.00 0.65 -0.06 -0.07 0.00 0.00 0.00 179.25 179.77 1sj6 h LEU 46 N 0.18 1.05 -0.54 0.00 -0.00 -1.84 0.86 115.31 115.02 1sj6 h LEU 46 Ca 0.01 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.88 57.53 1sj6 h LEU 46 Cb 0.94 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.29 1sj6 h LEU 46 CO 0.08 1.13 0.23 0.03 -0.00 0.00 0.00 178.44 179.91 1sj6 h ARG 47 N 0.95 0.79 -0.02 1.13 3.08 -1.72 0.51 114.38 119.11 1sj6 h ARG 47 Ca 0.16 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1sj6 h ARG 47 Cb 0.63 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1sj6 h ARG 47 CO 0.04 0.68 0.00 -0.25 -1.07 0.00 0.00 179.97 179.37 1sj6 n ASP 48 N -4.54 0.89 -0.10 7.04 8.00 -1.08 -2.61 116.55 124.15 1sj6 n ASP 48 Ca 0.02 -1.33 -0.10 0.00 0.71 0.00 0.00 54.79 54.10 1sj6 n ASP 48 Cb 0.14 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.08 1sj6 n ASP 48 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sj6 n GLU 49 N -0.29 0.72 -0.07 -1.24 -0.58 0.28 -3.96 120.64 115.49 1sj6 n GLU 49 Ca 0.20 -0.01 -0.19 0.00 -0.42 0.00 0.00 57.16 56.74 1sj6 n GLU 49 Cb 0.25 -1.52 -0.12 0.00 -0.57 0.00 0.00 31.44 29.48 1sj6 n GLU 49 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1sj6 h MET 50 N 0.00 0.04 -0.10 3.49 4.05 -0.96 -2.84 114.93 118.61 1sj6 h MET 50 Ca -0.55 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 58.82 1sj6 h MET 50 Cb 2.24 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 33.06 1sj6 h MET 50 CO 0.03 1.03 0.07 0.00 0.23 0.00 0.00 176.91 178.27 1sj6 h ARG 51 N -0.89 0.07 0.06 0.39 -0.00 -1.74 0.38 114.38 112.65 1sj6 h ARG 51 Ca -0.22 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.25 1sj6 h ARG 51 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.23 1sj6 h ARG 51 CO -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 179.97 179.89 1sj6 h ALA 52 N 1.94 -0.08 0.00 0.04 0.00 -1.70 -1.56 119.26 117.90 1sj6 h ALA 52 Ca 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sj6 h ALA 52 Cb 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sj6 h ALA 52 CO -0.01 -0.08 -0.01 -0.07 0.00 0.00 0.00 179.25 179.08 1sj6 h LEU 53 N -1.01 0.00 0.00 0.00 3.38 -1.39 0.27 115.31 116.56 1sj6 h LEU 53 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sj6 h LEU 53 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1sj6 h LEU 53 CO 0.01 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1sj6 n ALA 54 N -2.50 2.30 -3.43 1.53 0.00 0.13 -4.78 120.51 113.76 1sj6 n ALA 54 Ca -0.03 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 1sj6 n ALA 54 Cb 0.10 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.17 1sj6 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sj6 n GLY 55 N 1.42 -0.38 0.00 0.00 0.00 0.08 -4.98 105.19 101.33 1sj6 n GLY 55 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1sj6 n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sj6 n ASN 56 N -2.88 0.00 -1.26 1.61 6.94 -0.60 -5.03 115.26 114.05 1sj6 n ASN 56 Ca -0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.38 1sj6 n ASN 56 Cb 0.61 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.13 1sj6 n ASN 56 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1sj6 n PRO 57 N 0.00 1.89 0.00 -0.53 -0.05 -1.25 -3.45 135.00 131.61 1sj6 n PRO 57 Ca 0.00 -1.13 0.00 0.00 -0.05 0.00 0.00 63.50 62.32 1sj6 n PRO 57 Cb 0.00 -1.59 0.00 0.00 -0.05 0.00 0.00 33.50 31.86 1sj6 n PRO 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1sj6 n LYS 58 N 0.04 -0.44 0.00 0.54 4.01 -1.26 -5.08 118.16 115.98 1sj6 n LYS 58 Ca 0.17 -0.37 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 1sj6 n LYS 58 Cb 0.79 -0.81 0.00 0.00 -0.51 0.00 0.00 35.03 34.50 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sj6 n ALA 59 N -0.02 0.00 -2.16 7.82 0.00 -1.22 -5.07 120.51 119.85 1sj6 n ALA 59 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1sj6 n ALA 59 Cb 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 1sj6 n ALA 59 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sj6 s THR 60 N -0.55 0.43 0.29 0.00 -4.23 -1.26 -5.06 115.64 105.26 1sj6 s THR 60 Ca 0.00 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1sj6 s THR 60 Cb 0.00 -1.83 0.32 0.00 1.34 0.00 0.00 72.50 72.33 1sj6 s THR 60 CO 0.00 -0.72 1.64 -0.65 -0.54 0.00 0.00 174.62 174.35 1sj6 h PRO 61 N 2.93 0.17 -5.72 3.99 0.11 -1.90 -3.35 132.00 128.23 1sj6 h PRO 61 Ca -0.35 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.42 1sj6 h PRO 61 Cb 1.18 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1sj6 h PRO 61 CO 0.63 0.11 0.89 -2.14 -0.21 0.00 0.00 178.00 177.29 1sj6 s PRO 62 N -5.96 2.37 -0.16 1.05 0.02 -1.23 -2.34 135.00 128.76 1sj6 s PRO 62 Ca -0.12 0.27 -0.04 0.00 0.02 0.00 0.00 61.00 61.13 1sj6 s PRO 62 Cb 0.26 -4.77 0.07 0.00 0.02 0.00 0.00 34.50 30.08 1sj6 s PRO 62 CO 0.77 -3.36 0.20 -0.65 -0.33 0.00 0.00 177.00 173.63 1sj6 s GLN 63 N 7.46 0.13 0.16 5.54 -1.52 -1.21 -2.86 119.66 127.36 1sj6 s GLN 63 Ca 0.76 0.36 -0.28 0.00 -1.95 0.00 0.00 55.36 54.24 1sj6 s GLN 63 Cb -0.10 -0.83 -0.07 0.00 -0.22 0.00 0.00 33.01 31.78 1sj6 s GLN 63 CO 0.10 -0.51 0.89 0.42 -0.25 0.00 0.00 175.29 175.94 1sj6 s ILE 64 N 2.31 4.35 -0.04 1.08 1.09 -0.99 -1.17 121.20 127.82 1sj6 s ILE 64 Ca 0.05 1.95 -0.04 0.00 -1.10 0.00 0.00 60.65 61.51 1sj6 s ILE 64 Cb -0.14 -4.26 0.01 0.00 -1.06 0.00 0.00 42.46 37.01 1sj6 s ILE 64 CO -0.10 0.43 0.11 -0.69 -0.10 0.00 0.00 174.94 174.60 1sj6 s VAL 65 N -0.66 -0.01 -1.10 2.92 1.01 -1.10 -2.41 120.40 119.05 1sj6 s VAL 65 Ca 0.42 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1sj6 s VAL 65 Cb -0.24 -0.17 0.29 0.00 0.00 0.00 0.00 36.38 36.26 1sj6 s VAL 65 CO 0.29 0.01 1.74 -3.20 0.00 0.00 0.00 175.10 173.94 1sj6 n ASN 66 N 3.19 6.87 0.00 3.32 2.85 -1.18 0.60 115.26 130.91 1sj6 n ASN 66 Ca -0.14 -3.48 0.00 0.00 -0.11 0.00 0.00 54.58 50.84 1sj6 n ASN 66 Cb 0.58 -1.25 0.00 0.00 1.24 0.00 0.00 39.78 40.35 1sj6 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sj6 n GLY 67 N 0.88 2.32 0.89 8.20 0.00 -1.23 -4.19 105.19 112.07 1sj6 n GLY 67 Ca 0.39 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1sj6 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sj6 n ASP 68 N 3.42 -0.79 -4.29 1.61 5.68 -1.26 -4.97 116.55 115.95 1sj6 n ASP 68 Ca 0.00 -1.77 -0.24 0.00 -0.50 0.00 0.00 54.79 52.29 1sj6 n ASP 68 Cb 0.00 0.24 -0.12 0.00 -1.14 0.00 0.00 41.12 40.09 1sj6 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sj6 s GLN 69 N 0.00 1.14 -0.89 0.11 0.00 -1.26 -5.08 119.66 113.68 1sj6 s GLN 69 Ca 0.00 -1.19 -0.25 0.00 -0.00 0.00 0.00 55.36 53.93 1sj6 s GLN 69 Cb 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 33.01 31.65 1sj6 s GLN 69 CO 0.00 0.32 1.39 -0.47 0.00 0.00 0.00 175.29 176.53 1sj6 s TYR 70 N -1.23 2.40 -0.14 9.60 5.04 -1.26 -3.12 117.35 128.65 1sj6 s TYR 70 Ca 0.07 -0.45 -0.28 0.00 -2.44 0.00 0.00 57.07 53.97 1sj6 s TYR 70 Cb -0.10 -4.65 -0.25 0.00 0.35 0.00 0.00 41.96 37.31 1sj6 s TYR 70 CO 0.04 -2.00 0.78 0.00 -1.34 0.00 0.00 175.55 173.03 1sj6 n GLY 72 N 1.56 -0.91 0.00 0.00 0.00 -1.01 -5.01 105.19 99.82 1sj6 n GLY 72 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1sj6 n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sj6 n ASP 73 N 0.00 0.00 0.06 1.61 5.68 -1.26 -2.35 116.55 120.29 1sj6 n ASP 73 Ca 0.00 -0.60 -0.11 0.00 -0.50 0.00 0.00 54.79 53.57 1sj6 n ASP 73 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1sj6 n ASP 73 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1sj6 h TYR 74 N 0.60 -0.69 -0.05 2.11 3.20 -1.93 -1.37 116.97 118.84 1sj6 h TYR 74 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1sj6 h TYR 74 Cb 0.00 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 1sj6 h TYR 74 CO 0.00 -0.35 -0.42 1.49 -1.64 0.00 0.00 178.16 177.24 1sj6 h GLU 75 N -0.40 -0.52 0.20 1.82 4.22 -1.97 0.23 114.58 118.16 1sj6 h GLU 75 Ca 0.06 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 1sj6 h GLU 75 Cb 0.48 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1sj6 h GLU 75 CO -0.23 -0.35 -0.22 -0.07 -2.18 0.00 0.00 179.01 175.96 1sj6 h LEU 76 N -0.54 -0.61 -0.54 1.64 4.07 -1.92 1.05 115.31 118.46 1sj6 h LEU 76 Ca 0.06 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.17 1sj6 h LEU 76 Cb 0.64 0.20 -0.11 0.00 1.08 0.00 0.00 40.66 42.48 1sj6 h LEU 76 CO -0.35 -0.29 -0.28 0.15 -1.08 0.00 0.00 178.44 176.59 1sj6 h PHE 77 N -0.43 -0.76 -0.30 1.13 3.04 -1.19 0.11 116.94 118.55 1sj6 h PHE 77 Ca -0.03 0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.92 1sj6 h PHE 77 Cb 0.37 0.41 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1sj6 h PHE 77 CO -0.17 -0.35 -0.09 0.28 -2.02 0.00 0.00 178.31 175.96 1sj6 h VAL 78 N -0.15 1.22 0.00 1.41 2.07 -0.43 -1.88 116.25 118.49 1sj6 h VAL 78 Ca 0.23 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1sj6 h VAL 78 Cb 0.52 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1sj6 h VAL 78 CO -0.63 0.31 0.00 1.21 0.02 0.00 0.00 177.57 178.49 1sj6 n GLU 79 N -4.23 0.19 -0.10 1.57 2.13 0.36 -3.19 120.64 117.38 1sj6 n GLU 79 Ca 0.01 0.12 -0.15 0.00 0.66 0.00 0.00 57.16 57.80 1sj6 n GLU 79 Cb 0.30 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.45 1sj6 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sj6 n ALA 80 N -1.36 0.81 -0.13 4.31 0.00 -0.24 -4.30 120.51 119.60 1sj6 n ALA 80 Ca 0.08 -0.71 0.24 0.00 0.00 0.00 0.00 53.44 53.04 1sj6 n ALA 80 Cb 0.19 -0.05 0.67 0.00 0.00 0.00 0.00 19.45 20.25 1sj6 n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sj6 h VAL 81 N -1.00 0.64 -0.28 0.00 2.07 -1.58 1.00 116.25 117.10 1sj6 h VAL 81 Ca -0.22 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1sj6 h VAL 81 Cb 1.05 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1sj6 h VAL 81 CO -0.13 0.02 0.13 1.05 0.02 0.00 0.00 177.57 178.65 1sj6 h GLU 82 N 0.08 0.26 -0.63 1.57 4.11 -1.75 -2.59 114.58 115.64 1sj6 h GLU 82 Ca 0.37 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1sj6 h GLU 82 Cb 1.35 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1sj6 h GLU 82 CO -0.04 0.17 0.00 0.94 0.07 0.00 0.00 179.01 180.16 1sj6 n GLN 83 N -4.99 2.65 -1.17 1.06 7.27 -0.58 -4.91 117.38 116.71 1sj6 n GLN 83 Ca -0.01 -2.54 -0.04 0.00 0.07 0.00 0.00 57.00 54.47 1sj6 n GLN 83 Cb 0.08 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.15 1sj6 n GLN 83 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1sj6 n ASN 84 N 1.61 -3.43 0.09 1.69 2.85 -0.05 -4.90 115.26 113.12 1sj6 n ASN 84 Ca 0.23 0.10 0.12 0.00 -0.11 0.00 0.00 54.58 54.92 1sj6 n ASN 84 Cb 0.62 -1.38 0.22 0.00 1.24 0.00 0.00 39.78 40.48 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1sj6 h THR 85 N 0.00 0.00 -0.48 -0.44 1.35 0.68 -3.38 112.91 110.63 1sj6 h THR 85 Ca -0.09 -0.58 0.15 0.00 -0.55 0.00 0.00 66.41 65.34 1sj6 h THR 85 Cb 0.32 1.31 -0.09 0.00 -1.73 0.00 0.00 68.15 67.96 1sj6 h THR 85 CO 0.13 0.00 0.07 -0.11 -0.25 0.00 0.00 175.52 175.36 1sj6 n LEU 86 N -2.30 -0.00 0.20 3.87 7.94 -0.93 0.13 117.00 125.91 1sj6 n LEU 86 Ca 0.04 0.82 -0.15 0.00 -1.11 0.00 0.00 56.01 55.61 1sj6 n LEU 86 Cb 0.46 -0.32 -0.07 0.00 0.53 0.00 0.00 43.42 44.01 1sj6 n LEU 86 CO 0.35 -0.85 0.66 -0.61 -1.11 0.00 0.00 177.39 175.83 1sj6 h GLN 87 N 0.00 -0.61 -1.41 1.96 4.15 -1.91 0.83 115.11 118.12 1sj6 h GLN 87 Ca 0.32 0.04 0.41 0.00 0.77 0.00 0.00 58.65 60.19 1sj6 h GLN 87 Cb 0.72 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 1sj6 h GLN 87 CO -0.43 -0.41 1.16 1.49 -1.93 0.00 0.00 178.83 178.71 1sj6 h GLU 88 N -0.63 0.00 0.00 1.69 4.22 0.91 1.34 114.58 122.10 1sj6 h GLU 88 Ca -0.01 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 59.14 1sj6 h GLU 88 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1sj6 h GLU 88 CO -0.06 0.00 -2.29 0.34 -2.18 0.00 0.00 179.01 174.82 1sj6 n PHE 89 N -3.78 0.00 0.00 0.92 -0.00 -0.48 -3.68 117.46 110.43 1sj6 n PHE 89 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 1sj6 n PHE 89 Cb 1.60 -0.88 0.00 0.00 -0.00 0.00 0.00 39.48 40.20 1sj6 n PHE 89 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1sj6 n LEU 90 N -2.63 0.42 0.08 -2.13 4.77 0.35 -4.65 117.00 113.20 1sj6 n LEU 90 Ca -0.26 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1sj6 n LEU 90 Cb 1.02 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1sj6 n LEU 90 CO 0.43 -0.39 -0.08 0.29 -1.33 0.00 0.00 177.39 176.31 1sj6 n LYS 91 N -1.89 0.59 0.00 3.23 4.76 0.13 -4.96 118.16 120.03 1sj6 n LYS 91 Ca 0.00 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1sj6 n LYS 91 Cb 0.00 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 1sj6 n LYS 91 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1sj6 n LEU 92 N -2.58 0.00 -2.68 -0.35 4.32 0.37 -1.95 117.00 114.14 1sj6 n LEU 92 Ca -0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.90 1sj6 n LEU 92 Cb 0.55 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.38 1sj6 n LEU 92 CO 0.41 0.00 -0.11 0.00 -1.22 0.00 0.00 177.39 176.47 1sj6 n ALA 93 N 0.94 3.35 0.00 -1.18 0.00 -1.26 -4.45 120.51 117.91 1sj6 n ALA 93 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1sj6 n ALA 93 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1sj6 n ALA 93 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1sj6 n LEU 94 N -0.12 0.00 -0.53 0.00 0.00 -0.82 -5.23 117.00 110.29 1sj6 n LEU 94 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.17 1sj6 n LEU 94 Cb 0.82 0.00 0.06 0.00 0.00 0.00 0.00 43.42 44.29 1sj6 n LEU 94 CO 0.25 0.00 0.46 -1.84 0.00 0.00 0.00 177.39 176.26