#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 1.66 0.57 6.12 1.04 -1.26 -5.16 113.70 116.67 1sj6 s SER 2 Ca 0.00 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.00 1sj6 s SER 2 Cb 0.00 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.09 1sj6 s SER 2 CO 0.00 0.01 0.52 0.61 0.98 0.00 0.00 173.24 175.36 1sj6 n GLY 3 N 1.76 2.54 3.46 7.32 0.00 -1.26 -4.94 105.19 114.07 1sj6 n GLY 3 Ca -0.19 -2.29 -0.09 0.00 0.00 0.00 0.00 46.02 43.46 1sj6 n GLY 3 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sj6 s LEU 4 N 0.00 -0.50 -0.41 0.99 1.98 -1.26 -4.95 118.68 114.53 1sj6 s LEU 4 Ca 0.40 1.20 -0.12 0.00 -2.89 0.00 0.00 54.13 52.72 1sj6 s LEU 4 Cb -0.03 1.88 0.05 0.00 0.66 0.00 0.00 46.19 48.74 1sj6 s LEU 4 CO 0.25 -0.22 0.27 -0.60 -1.89 0.00 0.00 176.35 174.17 1sj6 s ARG 5 N 1.43 2.83 -0.17 1.98 6.06 0.13 0.10 118.95 131.32 1sj6 s ARG 5 Ca -0.09 -1.21 0.01 0.00 -2.50 0.00 0.00 55.73 51.94 1sj6 s ARG 5 Cb -0.06 -3.87 0.01 0.00 0.06 0.00 0.00 34.95 31.09 1sj6 s ARG 5 CO -0.15 -0.83 -0.18 0.08 -2.50 0.00 0.00 175.30 171.72 1sj6 s VAL 6 N 1.57 2.36 0.31 7.11 1.01 -1.16 0.12 120.40 131.72 1sj6 s VAL 6 Ca 0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1sj6 s VAL 6 Cb -0.21 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 1sj6 s VAL 6 CO 0.06 0.52 0.72 -0.31 0.00 0.00 0.00 175.10 176.09 1sj6 s TYR 7 N 1.08 3.38 0.36 5.22 1.51 -0.40 0.11 117.35 128.61 1sj6 s TYR 7 Ca -0.00 1.18 -0.17 0.00 -1.01 0.00 0.00 57.07 57.07 1sj6 s TYR 7 Cb -0.14 -2.51 0.05 0.00 -0.11 0.00 0.00 41.96 39.25 1sj6 s TYR 7 CO -0.06 0.12 0.77 -1.12 -1.11 0.00 0.00 175.55 174.15 1sj6 s SER 8 N -2.27 -0.06 -0.27 2.29 0.01 -0.93 -3.08 113.70 109.39 1sj6 s SER 8 Ca 0.53 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1sj6 s SER 8 Cb -0.10 0.82 0.08 0.00 0.21 0.00 0.00 66.02 67.02 1sj6 s SER 8 CO 0.18 -1.60 0.03 0.28 0.41 0.00 0.00 173.24 172.54 1sj6 s THR 9 N -2.73 1.24 0.09 1.44 -1.32 -1.26 -1.97 115.64 111.14 1sj6 s THR 9 Ca 0.14 -1.32 -0.18 0.00 -1.21 0.00 0.00 61.69 59.12 1sj6 s THR 9 Cb -0.05 -1.74 -0.07 0.00 -1.51 0.00 0.00 72.50 69.12 1sj6 s THR 9 CO 0.10 -0.38 1.54 0.28 -2.21 0.00 0.00 174.62 173.95 1sj6 h SER 10 N 8.00 0.47 0.82 8.08 0.02 -1.93 -3.10 113.55 125.91 1sj6 h SER 10 Ca -0.14 -0.29 -0.19 0.00 -0.84 0.00 0.00 61.79 60.32 1sj6 h SER 10 Cb 1.05 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1sj6 h SER 10 CO 0.43 0.65 -0.89 0.58 -1.14 0.00 0.00 176.83 176.46 1sj6 h VAL 11 N 0.28 1.60 -3.45 2.27 2.07 -1.94 -3.50 116.25 113.58 1sj6 h VAL 11 Ca 0.08 -2.94 0.20 0.00 0.82 0.00 0.00 66.70 64.86 1sj6 h VAL 11 Cb 0.40 2.61 -0.11 0.00 -1.52 0.00 0.00 31.29 32.66 1sj6 h VAL 11 CO 0.01 0.84 -1.11 0.41 0.02 0.00 0.00 177.57 177.74 1sj6 n THR 12 N -3.53 -1.66 -2.42 2.57 -1.04 -1.17 -4.90 114.28 102.14 1sj6 n THR 12 Ca -0.01 1.11 0.04 0.00 -2.04 0.00 0.00 64.05 63.15 1sj6 n THR 12 Cb 0.84 -1.75 0.04 0.00 -1.82 0.00 0.00 70.33 67.63 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 -3.59 1.44 0.00 3.41 0.00 -1.26 -5.10 105.19 100.09 1sj6 n GLY 13 Ca -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1sj6 n GLY 13 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sj6 n SER 14 N 0.31 0.00 -0.00 1.61 2.88 -1.26 -5.03 113.62 112.13 1sj6 n SER 14 Ca 0.07 -0.85 0.04 0.00 -1.33 0.00 0.00 58.87 56.80 1sj6 n SER 14 Cb 1.10 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.50 1sj6 n SER 14 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1sj6 n ARG 15 N 0.00 2.46 -0.11 -1.46 0.63 -1.26 -4.57 116.66 112.35 1sj6 n ARG 15 Ca 0.00 -0.04 -0.13 0.00 -0.92 0.00 0.00 57.85 56.77 1sj6 n ARG 15 Cb 0.00 -1.04 -0.14 0.00 0.45 0.00 0.00 32.46 31.72 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 -1.47 0.69 0.11 -0.14 4.71 -1.26 -4.34 120.64 118.95 1sj6 n GLU 16 Ca 0.00 0.05 0.12 0.00 -0.01 0.00 0.00 57.16 57.32 1sj6 n GLU 16 Cb 0.18 -1.51 0.61 0.00 -1.01 0.00 0.00 31.44 29.70 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1sj6 h ILE 17 N 0.00 0.92 0.00 -3.67 2.04 -1.96 -0.04 117.51 114.80 1sj6 h ILE 17 Ca -0.56 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 1sj6 h ILE 17 Cb 2.11 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1sj6 h ILE 17 CO -0.01 0.02 -0.31 0.11 0.00 0.00 0.00 178.15 177.96 1sj6 h LYS 18 N 0.12 0.00 0.01 2.37 1.57 -1.81 -2.59 116.57 116.25 1sj6 h LYS 18 Ca 0.13 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.70 1sj6 h LYS 18 Cb 0.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1sj6 h LYS 18 CO -0.02 0.31 -1.00 0.66 -0.57 0.00 0.00 179.45 178.83 1sj6 h SER 19 N 0.00 0.05 0.73 0.86 4.64 -1.24 -2.98 113.55 115.61 1sj6 h SER 19 Ca -0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1sj6 h SER 19 Cb 0.56 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1sj6 h SER 19 CO 0.04 1.02 -0.35 1.56 -0.87 0.00 0.00 176.83 178.23 1sj6 h GLN 20 N 0.01 -0.94 -0.17 4.77 1.08 -1.08 0.18 115.11 118.96 1sj6 h GLN 20 Ca -0.02 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1sj6 h GLN 20 Cb 1.75 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 29.39 1sj6 h GLN 20 CO 0.13 -0.61 0.11 -0.56 -0.95 0.00 0.00 178.83 176.96 1sj6 h GLN 21 N -1.20 0.15 -0.22 1.46 3.07 -1.64 -2.03 115.11 114.70 1sj6 h GLN 21 Ca -0.10 -0.01 -0.11 0.00 0.09 0.00 0.00 58.65 58.52 1sj6 h GLN 21 Cb 0.77 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.29 1sj6 h GLN 21 CO 0.16 0.10 -0.31 0.77 0.09 0.00 0.00 178.83 179.65 1sj6 h SER 22 N 0.16 0.66 0.31 0.06 0.02 -1.41 -1.51 113.55 111.84 1sj6 h SER 22 Ca 0.07 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1sj6 h SER 22 Cb 0.08 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1sj6 h SER 22 CO -0.01 1.04 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.48 1sj6 h GLU 23 N 0.29 -0.42 -0.26 3.45 4.81 -0.26 0.13 114.58 122.33 1sj6 h GLU 23 Ca 0.02 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1sj6 h GLU 23 Cb 0.89 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1sj6 h GLU 23 CO 0.07 -0.28 0.16 0.28 -0.73 0.00 0.00 179.01 178.51 1sj6 h VAL 24 N -0.43 1.09 -0.37 0.32 2.07 -1.49 -2.36 116.25 115.07 1sj6 h VAL 24 Ca -0.04 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1sj6 h VAL 24 Cb 0.34 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1sj6 h VAL 24 CO 0.06 0.09 0.20 0.71 0.02 0.00 0.00 177.57 178.65 1sj6 h THR 25 N 0.33 1.12 0.56 2.57 1.35 -1.16 -0.61 112.91 117.07 1sj6 h THR 25 Ca 0.09 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1sj6 h THR 25 Cb 0.01 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1sj6 h THR 25 CO -0.02 0.13 -0.30 0.03 -0.25 0.00 0.00 175.52 175.12 1sj6 h ARG 26 N 0.51 -0.76 -0.00 4.72 3.08 -0.20 0.56 114.38 122.28 1sj6 h ARG 26 Ca 0.13 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1sj6 h ARG 26 Cb 0.03 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1sj6 h ARG 26 CO -0.02 -0.51 0.00 0.82 -1.07 0.00 0.00 179.97 179.19 1sj6 h ILE 27 N -0.79 1.19 0.76 2.04 2.04 -1.29 0.44 117.51 121.89 1sj6 h ILE 27 Ca -0.07 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1sj6 h ILE 27 Cb 0.63 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1sj6 h ILE 27 CO 0.10 0.15 -0.50 0.25 0.00 0.00 0.00 178.15 178.15 1sj6 h LEU 28 N -0.24 -1.27 -0.40 1.44 5.85 -1.09 0.16 115.31 119.76 1sj6 h LEU 28 Ca 0.00 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1sj6 h LEU 28 Cb 0.24 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1sj6 h LEU 28 CO 0.00 -0.75 0.24 -0.78 -0.34 0.00 0.00 178.44 176.81 1sj6 h ASP 29 N -1.19 0.40 -0.23 1.25 1.82 0.07 -1.58 116.42 116.96 1sj6 h ASP 29 Ca -0.10 -0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.59 1sj6 h ASP 29 Cb 0.96 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.87 1sj6 h ASP 29 CO 0.09 0.29 0.16 1.23 -1.61 0.00 0.00 179.24 179.40 1sj6 h GLY 30 N 0.49 0.07 1.35 -0.78 0.00 0.01 0.27 103.07 104.48 1sj6 h GLY 30 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1sj6 h GLY 30 CO -0.06 0.02 -0.03 0.28 0.00 0.00 0.00 176.54 176.75 1sj6 n LYS 31 N -4.48 0.56 -3.33 4.80 5.02 0.53 -4.92 118.16 116.34 1sj6 n LYS 31 Ca 0.02 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 1sj6 n LYS 31 Cb 0.27 -1.50 0.07 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 -1.18 -6.27 -2.76 1.97 1.74 0.96 -5.00 116.66 106.12 1sj6 n ARG 32 Ca 0.15 0.73 -0.28 0.00 -0.77 0.00 0.00 57.85 57.68 1sj6 n ARG 32 Cb 0.23 -5.42 -0.01 0.00 -1.02 0.00 0.00 32.46 26.25 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 -3.29 4.89 -0.83 0.55 1.01 -1.08 -5.01 121.20 117.44 1sj6 s ILE 33 Ca 0.24 0.28 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 1sj6 s ILE 33 Cb -0.10 -3.82 0.35 0.00 0.01 0.00 0.00 42.46 38.89 1sj6 s ILE 33 CO 0.63 -0.73 1.79 0.00 0.00 0.00 0.00 174.94 176.63 1sj6 n GLN 34 N -1.92 3.62 -3.24 2.79 1.13 -1.26 -4.87 117.38 113.63 1sj6 n GLN 34 Ca 0.01 -4.05 -0.30 0.00 -1.94 0.00 0.00 57.00 50.72 1sj6 n GLN 34 Cb 0.55 -2.32 -0.04 0.00 0.11 0.00 0.00 30.24 28.54 1sj6 n GLN 34 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1sj6 s TYR 35 N -4.05 3.47 0.68 1.08 1.13 -1.26 -4.31 117.35 114.08 1sj6 s TYR 35 Ca 0.48 0.78 -0.03 0.00 -1.41 0.00 0.00 57.07 56.89 1sj6 s TYR 35 Cb 0.36 -2.21 0.08 0.00 -1.10 0.00 0.00 41.96 39.09 1sj6 s TYR 35 CO -0.29 0.12 0.95 -1.14 -2.51 0.00 0.00 175.55 172.68 1sj6 s GLN 36 N -3.49 2.03 -0.41 -3.49 2.00 0.28 -4.92 119.66 111.65 1sj6 s GLN 36 Ca 0.46 -0.73 0.03 0.00 -2.00 0.00 0.00 55.36 53.12 1sj6 s GLN 36 Cb -0.11 -2.31 0.16 0.00 0.80 0.00 0.00 33.01 31.56 1sj6 s GLN 36 CO 0.29 -1.22 0.31 -1.17 -0.50 0.00 0.00 175.29 173.00 1sj6 s LEU 37 N -5.10 1.52 -1.30 3.68 2.96 -1.25 -2.96 118.68 116.24 1sj6 s LEU 37 Ca 0.62 -2.89 -0.18 0.00 -0.22 0.00 0.00 54.13 51.46 1sj6 s LEU 37 Cb -0.08 -0.51 0.05 0.00 0.50 0.00 0.00 46.19 46.15 1sj6 s LEU 37 CO 0.43 -0.20 1.78 1.33 -1.32 0.00 0.00 176.35 178.37 1sj6 n VAL 38 N 3.10 3.75 -2.61 1.68 0.24 0.30 -4.87 118.33 119.92 1sj6 n VAL 38 Ca 0.25 -3.87 -0.43 0.00 -2.04 0.00 0.00 64.34 58.24 1sj6 n VAL 38 Cb 0.44 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.45 1sj6 n VAL 38 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1sj6 s ASP 39 N 4.37 7.07 0.00 -1.34 -4.77 -1.26 -3.25 116.67 117.50 1sj6 s ASP 39 Ca 0.55 1.47 0.26 0.00 -3.30 0.00 0.00 52.55 51.52 1sj6 s ASP 39 Cb 0.04 -2.54 1.26 0.00 -1.09 0.00 0.00 42.92 40.59 1sj6 s ASP 39 CO 0.08 -0.67 1.87 2.30 0.70 0.00 0.00 175.17 179.44 1sj6 n ILE 40 N 5.27 0.18 0.18 2.11 -5.35 -0.83 -3.01 119.36 117.92 1sj6 n ILE 40 Ca 0.12 0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.71 1sj6 n ILE 40 Cb 0.46 -0.61 0.25 0.00 -1.74 0.00 0.00 39.64 37.99 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 0.27 7.28 0.87 -1.91 -3.28 113.55 116.79 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 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1sj6 h SER 41 CO 0.00 0.35 -0.13 -0.61 -0.53 0.00 0.00 176.83 175.91 1sj6 h GLN 42 N 0.00 -0.36 -5.41 2.24 -0.00 -1.89 -3.45 115.11 106.24 1sj6 h GLN 42 Ca -0.00 0.02 -0.65 0.00 -0.00 0.00 0.00 58.65 58.02 1sj6 h GLN 42 Cb 1.04 0.08 -0.12 0.00 0.00 0.00 0.00 27.48 28.49 1sj6 h GLN 42 CO 0.05 -0.14 -0.51 0.34 0.00 0.00 0.00 178.83 178.56 1sj6 s ASP 43 N -4.98 4.14 -0.01 -0.69 -1.08 -1.24 -5.05 116.67 107.76 1sj6 s ASP 43 Ca -0.15 -1.52 0.21 0.00 -0.52 0.00 0.00 52.55 50.58 1sj6 s ASP 43 Cb 0.04 0.25 -0.27 0.00 -1.46 0.00 0.00 42.92 41.48 1sj6 s ASP 43 CO 0.62 -0.77 0.75 0.59 0.52 0.00 0.00 175.17 176.88 1sj6 n ASN 44 N -1.24 0.66 0.06 -0.34 3.02 -1.26 -4.30 115.26 111.85 1sj6 n ASN 44 Ca -0.13 -0.65 -0.07 0.00 -0.03 0.00 0.00 54.58 53.70 1sj6 n ASN 44 Cb 0.67 1.35 -0.12 0.00 -0.61 0.00 0.00 39.78 41.06 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 2.64 0.38 -0.13 5.41 0.00 -1.97 -3.26 119.26 122.33 1sj6 h ALA 45 Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 54.91 53.90 1sj6 h ALA 45 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sj6 h ALA 45 CO 0.00 1.26 -0.24 -0.07 0.00 0.00 0.00 179.25 180.21 1sj6 h LEU 46 N 0.00 0.23 -0.12 0.00 3.38 -1.84 0.18 115.31 117.14 1sj6 h LEU 46 Ca -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1sj6 h LEU 46 Cb 1.78 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1sj6 h LEU 46 CO 0.13 0.48 -0.01 0.03 0.09 0.00 0.00 178.44 179.15 1sj6 h ARG 47 N 0.22 0.22 -0.01 1.13 3.08 -1.75 -0.20 114.38 117.06 1sj6 h ARG 47 Ca 0.04 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1sj6 h ARG 47 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1sj6 h ARG 47 CO 0.04 0.49 0.00 -3.47 -1.07 0.00 0.00 179.97 175.96 1sj6 n ASP 48 N -4.77 0.56 -0.10 7.04 -0.08 -1.13 -2.61 116.55 115.46 1sj6 n ASP 48 Ca -0.06 -1.22 -0.09 0.00 -1.51 0.00 0.00 54.79 51.91 1sj6 n ASP 48 Cb 0.22 -0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.52 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1sj6 n GLU 49 N -0.55 0.72 0.07 -0.67 2.13 0.04 -4.15 120.64 118.23 1sj6 n GLU 49 Ca 0.21 -0.02 -0.23 0.00 0.66 0.00 0.00 57.16 57.79 1sj6 n GLU 49 Cb 0.20 -1.51 -0.15 0.00 0.27 0.00 0.00 31.44 30.24 1sj6 n GLU 49 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1sj6 h MET 50 N 0.00 0.39 -0.07 5.31 4.05 -1.03 -2.84 114.93 120.74 1sj6 h MET 50 Ca -0.53 -0.67 0.02 0.00 -0.28 0.00 0.00 59.70 58.24 1sj6 h MET 50 Cb 2.19 0.25 -0.00 0.00 -0.80 0.00 0.00 31.60 33.24 1sj6 h MET 50 CO 0.03 1.32 0.05 0.00 0.23 0.00 0.00 176.91 178.54 1sj6 h ARG 51 N 0.04 0.01 0.00 0.39 -0.00 -1.73 0.24 114.38 113.33 1sj6 h ARG 51 Ca -0.32 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.12 1sj6 h ARG 51 Cb 2.05 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 32.02 1sj6 h ARG 51 CO 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 179.97 179.90 1sj6 h ALA 52 N 1.97 0.04 -0.08 0.04 0.00 -1.72 -2.72 119.26 116.78 1sj6 h ALA 52 Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1sj6 h ALA 52 Cb 0.12 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sj6 h ALA 52 CO -0.00 0.16 0.05 -0.07 0.00 0.00 0.00 179.25 179.39 1sj6 h LEU 53 N -1.00 0.02 0.00 0.00 3.38 -1.35 0.24 115.31 116.60 1sj6 h LEU 53 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sj6 h LEU 53 Cb 0.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1sj6 h LEU 53 CO -0.03 0.02 -0.06 0.00 0.09 0.00 0.00 178.44 178.45 1sj6 h ALA 54 N 1.96 0.96 -5.78 1.53 0.00 -0.65 -3.43 119.26 113.85 1sj6 h ALA 54 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 1sj6 h ALA 54 Cb 0.10 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.04 1sj6 h ALA 54 CO -0.00 0.00 -0.75 0.41 0.00 0.00 0.00 179.25 178.91 1sj6 n GLY 55 N 1.30 -0.42 3.15 0.00 0.00 0.07 -4.98 105.19 104.32 1sj6 n GLY 55 Ca 0.05 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1sj6 n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sj6 s ASN 56 N -4.01 -0.00 -0.11 1.61 2.47 -1.04 -5.03 114.94 108.83 1sj6 s ASN 56 Ca 0.20 0.00 0.03 0.00 0.42 0.00 0.00 52.86 53.52 1sj6 s ASN 56 Cb -0.09 1.00 0.26 0.00 -1.45 0.00 0.00 41.25 40.97 1sj6 s ASN 56 CO 0.74 -0.00 1.10 -0.81 -3.72 0.00 0.00 177.10 174.41 1sj6 n PRO 57 N 5.10 1.94 0.00 0.43 -0.05 -1.26 -3.37 135.00 137.79 1sj6 n PRO 57 Ca -0.08 -1.06 0.00 0.00 -0.05 0.00 0.00 63.50 62.31 1sj6 n PRO 57 Cb 0.55 -1.61 0.00 0.00 -0.05 0.00 0.00 33.50 32.40 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 0.09 3.92 0.00 0.54 4.76 -1.26 -5.06 118.16 121.15 1sj6 n LYS 58 Ca 0.14 -0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1sj6 n LYS 58 Cb 0.72 -0.62 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sj6 n ALA 59 N -0.60 0.00 -2.21 7.82 0.00 -1.22 -5.08 120.51 119.23 1sj6 n ALA 59 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1sj6 n ALA 59 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.59 0.12 0.17 0.00 -4.23 -1.26 -5.07 115.64 104.78 1sj6 s THR 60 Ca 0.00 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 1sj6 s THR 60 Cb 0.00 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.49 1sj6 s THR 60 CO 0.00 -0.11 1.76 -0.65 -0.54 0.00 0.00 174.62 175.08 1sj6 h PRO 61 N 2.64 0.35 -6.00 3.99 0.11 -1.91 -3.37 132.00 127.81 1sj6 h PRO 61 Ca -0.36 -0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.25 1sj6 h PRO 61 Cb 1.24 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 1sj6 h PRO 61 CO 0.56 0.23 1.15 -1.25 -0.21 0.00 0.00 178.00 178.48 1sj6 s PRO 62 N -6.14 3.04 -0.06 1.05 0.04 -1.24 -2.19 135.00 129.49 1sj6 s PRO 62 Ca -0.13 -0.44 -0.04 0.00 0.04 0.00 0.00 61.00 60.43 1sj6 s PRO 62 Cb 0.13 -4.92 0.03 0.00 0.04 0.00 0.00 34.50 29.77 1sj6 s PRO 62 CO 0.72 -2.67 0.15 -0.65 0.04 0.00 0.00 177.00 174.59 1sj6 s GLN 63 N 6.09 0.13 0.27 4.56 -1.52 -1.18 -3.62 119.66 124.39 1sj6 s GLN 63 Ca 0.55 0.29 -0.29 0.00 -1.95 0.00 0.00 55.36 53.97 1sj6 s GLN 63 Cb -0.05 -0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.59 1sj6 s GLN 63 CO 0.02 -0.09 0.94 0.42 -0.25 0.00 0.00 175.29 176.33 1sj6 s ILE 64 N 0.64 4.11 -0.07 1.08 1.09 -1.10 -1.27 121.20 125.67 1sj6 s ILE 64 Ca -0.05 2.00 -0.06 0.00 -1.10 0.00 0.00 60.65 61.44 1sj6 s ILE 64 Cb -0.06 -4.22 0.02 0.00 -1.06 0.00 0.00 42.46 37.13 1sj6 s ILE 64 CO -0.03 0.38 0.17 -0.69 -0.10 0.00 0.00 174.94 174.67 1sj6 s VAL 65 N -1.32 -0.00 -1.01 2.92 1.01 0.31 -1.62 120.40 120.69 1sj6 s VAL 65 Ca 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 1sj6 s VAL 65 Cb -0.24 -0.25 0.31 0.00 0.00 0.00 0.00 36.38 36.20 1sj6 s VAL 65 CO 0.29 0.00 1.45 -3.20 0.00 0.00 0.00 175.10 173.65 1sj6 n ASN 66 N 3.08 6.26 0.00 3.32 4.05 -1.18 -0.69 115.26 130.09 1sj6 n ASN 66 Ca -0.13 -3.48 0.00 0.00 0.45 0.00 0.00 54.58 51.42 1sj6 n ASN 66 Cb 0.58 -1.16 0.00 0.00 1.23 0.00 0.00 39.78 40.43 1sj6 n ASN 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sj6 n GLY 67 N 0.96 2.05 2.76 8.20 0.00 -1.26 -4.16 105.19 113.74 1sj6 n GLY 67 Ca 0.30 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1sj6 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sj6 n ASP 68 N 4.18 0.39 -3.96 1.61 8.00 -1.26 -4.95 116.55 120.55 1sj6 n ASP 68 Ca 0.00 -2.15 -0.09 0.00 0.71 0.00 0.00 54.79 53.26 1sj6 n ASP 68 Cb 0.00 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 40.99 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sj6 s GLN 69 N -2.26 0.85 -0.68 -1.24 -0.21 -1.26 -5.10 119.66 109.76 1sj6 s GLN 69 Ca 0.21 -1.11 -0.27 0.00 0.02 0.00 0.00 55.36 54.20 1sj6 s GLN 69 Cb 0.38 0.31 0.03 0.00 1.00 0.00 0.00 33.01 34.72 1sj6 s GLN 69 CO -0.07 -0.25 1.25 -0.47 -2.12 0.00 0.00 175.29 173.63 1sj6 s TYR 70 N -3.91 2.40 -0.11 0.91 5.04 -1.26 -3.10 117.35 117.32 1sj6 s TYR 70 Ca 0.09 0.14 -0.10 0.00 -2.44 0.00 0.00 57.07 54.77 1sj6 s TYR 70 Cb 0.06 -4.58 -0.08 0.00 0.35 0.00 0.00 41.96 37.70 1sj6 s TYR 70 CO -0.08 -1.89 0.28 0.00 -1.34 0.00 0.00 175.55 172.52 1sj6 n GLY 72 N 1.63 1.76 0.00 0.00 0.00 -0.77 -4.97 105.19 102.84 1sj6 n GLY 72 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1sj6 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sj6 n ASP 73 N 0.00 0.00 -0.04 1.61 8.00 -1.26 -2.73 116.55 122.13 1sj6 n ASP 73 Ca 0.00 -0.64 -0.13 0.00 0.71 0.00 0.00 54.79 54.73 1sj6 n ASP 73 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1sj6 n ASP 73 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1sj6 h TYR 74 N 0.64 0.32 -0.04 1.24 3.20 -1.98 -2.57 116.97 117.78 1sj6 h TYR 74 Ca 0.00 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.80 1sj6 h TYR 74 Cb 0.00 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1sj6 h TYR 74 CO 0.00 0.67 -0.12 1.49 -1.64 0.00 0.00 178.16 178.56 1sj6 h GLU 75 N -0.12 -0.18 0.32 1.82 4.22 -1.97 -0.11 114.58 118.56 1sj6 h GLU 75 Ca 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 1sj6 h GLU 75 Cb 0.61 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1sj6 h GLU 75 CO 0.03 -0.12 -0.25 -0.07 -2.18 0.00 0.00 179.01 176.42 1sj6 h LEU 76 N -0.18 -0.65 -0.56 1.64 4.07 -1.96 0.89 115.31 118.57 1sj6 h LEU 76 Ca 0.06 0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.17 1sj6 h LEU 76 Cb 0.26 0.20 -0.11 0.00 1.08 0.00 0.00 40.66 42.10 1sj6 h LEU 76 CO -0.15 -0.35 -0.31 0.15 -1.08 0.00 0.00 178.44 176.70 1sj6 h PHE 77 N -0.55 -0.84 -0.07 1.13 3.04 -1.44 0.27 116.94 118.49 1sj6 h PHE 77 Ca -0.04 0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 1sj6 h PHE 77 Cb 0.46 0.45 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 1sj6 h PHE 77 CO -0.08 -0.37 -0.24 0.28 -2.02 0.00 0.00 178.31 175.88 1sj6 h VAL 78 N -0.16 1.21 0.00 1.41 2.07 -0.94 -1.65 116.25 118.19 1sj6 h VAL 78 Ca 0.23 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1sj6 h VAL 78 Cb 0.54 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1sj6 h VAL 78 CO -0.65 0.29 0.00 1.21 0.02 0.00 0.00 177.57 178.44 1sj6 n GLU 79 N -4.21 0.55 -0.13 1.57 2.13 0.31 -3.50 120.64 117.37 1sj6 n GLU 79 Ca -0.02 0.02 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1sj6 n GLU 79 Cb 0.33 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.43 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 -1.20 1.11 -0.01 4.31 0.00 0.04 -4.36 120.51 120.40 1sj6 n ALA 80 Ca 0.16 -0.96 0.16 0.00 0.00 0.00 0.00 53.44 52.81 1sj6 n ALA 80 Cb 0.18 -0.05 0.62 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.91 0.81 -0.37 0.00 2.07 -1.58 0.93 116.25 117.19 1sj6 h VAL 81 Ca -0.61 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1sj6 h VAL 81 Cb 1.58 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1sj6 h VAL 81 CO -0.35 0.03 0.12 1.05 0.02 0.00 0.00 177.57 178.44 1sj6 h GLU 82 N 0.15 0.27 -0.54 1.57 4.11 -1.76 -2.36 114.58 116.02 1sj6 h GLU 82 Ca 0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1sj6 h GLU 82 Cb 0.78 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1sj6 h GLU 82 CO -0.03 0.18 0.00 0.94 0.07 0.00 0.00 179.01 180.16 1sj6 n GLN 83 N -5.02 2.59 -1.15 1.06 7.27 -0.79 -4.91 117.38 116.43 1sj6 n GLN 83 Ca 0.01 -2.44 -0.05 0.00 0.07 0.00 0.00 57.00 54.59 1sj6 n GLN 83 Cb 0.13 -1.54 -0.02 0.00 2.41 0.00 0.00 30.24 31.22 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 1.56 -3.67 0.18 1.69 2.85 -0.15 -4.89 115.26 112.83 1sj6 n ASN 84 Ca 0.22 0.13 0.12 0.00 -0.11 0.00 0.00 54.58 54.94 1sj6 n ASN 84 Cb 0.61 -1.63 0.14 0.00 1.24 0.00 0.00 39.78 40.14 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 -0.55 -0.44 1.35 0.54 -3.37 112.91 110.45 1sj6 h THR 85 Ca -0.11 -0.95 0.16 0.00 -0.55 0.00 0.00 66.41 64.96 1sj6 h THR 85 Cb 0.36 1.81 -0.10 0.00 -1.73 0.00 0.00 68.15 68.48 1sj6 h THR 85 CO 0.16 0.00 0.04 -0.11 -0.25 0.00 0.00 175.52 175.36 1sj6 n LEU 86 N -2.91 -0.04 0.16 3.87 7.94 -0.82 0.91 117.00 126.12 1sj6 n LEU 86 Ca 0.03 0.93 -0.15 0.00 -1.11 0.00 0.00 56.01 55.70 1sj6 n LEU 86 Cb 0.53 -0.35 -0.08 0.00 0.53 0.00 0.00 43.42 44.05 1sj6 n LEU 86 CO 0.35 -0.95 0.58 -0.61 -1.11 0.00 0.00 177.39 175.65 1sj6 h GLN 87 N 0.00 -0.71 -1.00 1.96 4.15 -1.90 0.92 115.11 118.52 1sj6 h GLN 87 Ca 0.34 0.05 0.29 0.00 0.77 0.00 0.00 58.65 60.10 1sj6 h GLN 87 Cb 0.74 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 1sj6 h GLN 87 CO -0.50 -0.47 0.98 0.93 -1.93 0.00 0.00 178.83 177.84 1sj6 h GLU 88 N -0.74 0.00 0.00 1.69 5.08 0.46 2.00 114.58 123.07 1sj6 h GLU 88 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1sj6 h GLU 88 Cb 0.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1sj6 h GLU 88 CO -0.19 0.00 -2.14 0.34 -1.00 0.00 0.00 179.01 176.02 1sj6 n PHE 89 N -3.58 0.12 0.00 4.33 -0.00 0.01 -3.89 117.46 114.45 1sj6 n PHE 89 Ca 0.22 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 1sj6 n PHE 89 Cb 1.30 -0.84 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 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 -2.60 0.10 -0.50 -2.13 4.77 0.34 -4.71 117.00 112.27 1sj6 n LEU 90 Ca -0.20 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1sj6 n LEU 90 Cb 0.92 -0.37 0.33 0.00 -2.33 0.00 0.00 43.42 41.98 1sj6 n LEU 90 CO 0.44 -0.37 0.68 0.29 -1.33 0.00 0.00 177.39 177.11 1sj6 n LYS 91 N -2.15 1.47 0.00 3.23 5.02 0.13 -4.97 118.16 120.88 1sj6 n LYS 91 Ca 0.00 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 1sj6 n LYS 91 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1sj6 n LYS 91 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sj6 n LEU 92 N 0.10 0.00 0.00 -0.35 7.99 0.59 -2.62 117.00 122.71 1sj6 n LEU 92 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 1sj6 n LEU 92 Cb 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1sj6 n LEU 92 CO 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.09 1sj6 n ALA 93 N 0.55 2.60 -2.94 -1.18 0.00 -1.26 -3.68 120.51 114.60 1sj6 n ALA 93 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1sj6 n ALA 93 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.48 -7.45 0.00 0.00 7.94 -1.08 -5.10 117.00 108.83 1sj6 n LEU 94 Ca 0.00 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1sj6 n LEU 94 Cb 0.00 -3.37 0.00 0.00 0.53 0.00 0.00 43.42 40.58 1sj6 n LEU 94 CO 0.00 -1.82 0.00 -0.62 -1.11 0.00 0.00 177.39 173.84