#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 7.00 0.23 6.12 1.04 -1.26 -5.07 113.70 121.76 1sj6 s SER 2 Ca 0.00 1.65 -0.02 0.00 0.48 0.00 0.00 55.95 58.06 1sj6 s SER 2 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 1sj6 s SER 2 CO 0.00 -0.27 0.23 -0.83 0.98 0.00 0.00 173.24 173.35 1sj6 s GLY 3 N -2.06 1.37 -0.32 7.32 0.00 -1.26 -5.11 107.32 107.26 1sj6 s GLY 3 Ca 0.58 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.78 1sj6 s GLY 3 CO 0.16 -1.24 0.60 -2.27 0.00 0.00 0.00 173.10 170.35 1sj6 s LEU 4 N -3.16 -1.61 -0.42 0.66 1.98 -1.26 -4.55 118.68 110.31 1sj6 s LEU 4 Ca 0.36 -0.03 -0.16 0.00 -2.89 0.00 0.00 54.13 51.41 1sj6 s LEU 4 Cb 0.05 2.02 0.03 0.00 0.66 0.00 0.00 46.19 48.95 1sj6 s LEU 4 CO 0.14 -0.27 0.35 0.00 -1.89 0.00 0.00 176.35 174.67 1sj6 s ARG 5 N 2.60 3.00 -0.19 1.98 1.70 -0.22 0.89 118.95 128.71 1sj6 s ARG 5 Ca 0.11 -1.01 -0.17 0.00 -0.47 0.00 0.00 55.73 54.19 1sj6 s ARG 5 Cb -0.09 -4.00 -0.04 0.00 -0.57 0.00 0.00 34.95 30.26 1sj6 s ARG 5 CO -0.22 -0.82 0.45 0.08 -1.08 0.00 0.00 175.30 173.72 1sj6 s VAL 6 N 1.79 5.16 0.26 4.99 1.01 -1.05 -2.50 120.40 130.06 1sj6 s VAL 6 Ca 0.07 0.84 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 1sj6 s VAL 6 Cb -0.19 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1sj6 s VAL 6 CO 0.10 0.24 0.82 -0.31 0.00 0.00 0.00 175.10 175.95 1sj6 s TYR 7 N 1.30 3.70 0.33 5.22 2.02 -0.82 0.10 117.35 129.20 1sj6 s TYR 7 Ca 0.22 1.58 -0.13 0.00 -0.37 0.00 0.00 57.07 58.36 1sj6 s TYR 7 Cb -0.15 -2.76 0.03 0.00 -0.40 0.00 0.00 41.96 38.68 1sj6 s TYR 7 CO 0.09 0.31 0.66 -1.12 -1.57 0.00 0.00 175.55 173.91 1sj6 s SER 8 N -1.58 0.14 -0.22 2.29 0.01 -1.10 -2.97 113.70 110.27 1sj6 s SER 8 Ca 0.45 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.63 1sj6 s SER 8 Cb -0.18 0.74 0.05 0.00 0.21 0.00 0.00 66.02 66.85 1sj6 s SER 8 CO 0.23 -1.45 -0.06 0.28 0.41 0.00 0.00 173.24 172.65 1sj6 s THR 9 N -3.06 1.47 0.38 1.44 -1.32 -1.26 -2.33 115.64 110.96 1sj6 s THR 9 Ca 0.19 -1.08 0.09 0.00 -1.21 0.00 0.00 61.69 59.68 1sj6 s THR 9 Cb -0.04 -1.69 0.32 0.00 -1.51 0.00 0.00 72.50 69.58 1sj6 s THR 9 CO 0.12 -0.01 1.93 -1.28 -2.21 0.00 0.00 174.62 173.17 1sj6 h SER 10 N 7.99 0.58 -3.74 8.08 0.87 -1.94 -3.36 113.55 122.04 1sj6 h SER 10 Ca -0.21 0.02 -0.68 0.00 -1.23 0.00 0.00 61.79 59.69 1sj6 h SER 10 Cb 1.08 -0.10 -0.35 0.00 -0.44 0.00 0.00 62.40 62.59 1sj6 h SER 10 CO 0.42 0.34 -0.70 -0.69 -0.53 0.00 0.00 176.83 175.67 1sj6 s VAL 11 N -5.60 2.75 -0.37 2.23 1.01 -1.26 -5.08 120.40 114.09 1sj6 s VAL 11 Ca -0.09 -1.68 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 1sj6 s VAL 11 Cb 0.20 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1sj6 s VAL 11 CO 0.77 -0.25 0.76 0.42 0.00 0.00 0.00 175.10 176.80 1sj6 s THR 12 N 1.15 4.75 0.16 3.92 -4.23 -1.26 -4.92 115.64 115.21 1sj6 s THR 12 Ca -0.02 0.82 0.03 0.00 -1.18 0.00 0.00 61.69 61.35 1sj6 s THR 12 Cb -0.20 -4.20 -0.16 0.00 1.34 0.00 0.00 72.50 69.28 1sj6 s THR 12 CO -0.03 -0.43 1.36 1.23 -0.54 0.00 0.00 174.62 176.21 1sj6 h GLY 13 N 9.70 0.17 0.00 3.99 0.00 -1.98 -3.46 103.07 111.49 1sj6 h GLY 13 Ca -0.25 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1sj6 h GLY 13 CO 0.90 0.28 0.00 -1.26 0.00 0.00 0.00 176.54 176.47 1sj6 n SER 14 N -3.60 0.00 -0.00 0.19 2.88 -1.26 -5.04 113.62 106.78 1sj6 n SER 14 Ca -0.03 -0.95 0.04 0.00 -1.33 0.00 0.00 58.87 56.60 1sj6 n SER 14 Cb 0.83 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.24 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 -0.95 3.21 -0.12 -1.46 0.63 -1.26 -4.58 116.66 112.13 1sj6 n ARG 15 Ca 0.00 -0.02 -0.15 0.00 -0.92 0.00 0.00 57.85 56.76 1sj6 n ARG 15 Cb 0.00 -0.97 -0.14 0.00 0.45 0.00 0.00 32.46 31.80 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 -1.35 0.67 -0.21 -0.14 1.02 -1.26 -4.34 120.64 115.02 1sj6 n GLU 16 Ca 0.01 0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.24 1sj6 n GLU 16 Cb 0.15 -1.52 0.10 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.47 0.07 -3.67 1.08 -1.98 -1.37 117.51 112.11 1sj6 h ILE 17 Ca -0.57 -0.03 0.02 0.00 -0.39 0.00 0.00 64.86 63.89 1sj6 h ILE 17 Cb 2.05 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 36.13 1sj6 h ILE 17 CO -0.04 0.02 -0.21 0.07 -0.69 0.00 0.00 178.15 177.30 1sj6 h LYS 18 N 0.10 -0.36 -1.14 2.37 2.10 -1.82 -1.70 116.57 116.12 1sj6 h LYS 18 Ca 0.33 0.02 0.32 0.00 -2.00 0.00 0.00 60.65 59.32 1sj6 h LYS 18 Cb 0.53 0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 31.87 1sj6 h LYS 18 CO -0.55 -0.24 0.78 1.03 -2.00 0.00 0.00 179.45 178.46 1sj6 h SER 19 N -0.38 0.22 0.17 7.07 0.87 -1.46 0.84 113.55 120.88 1sj6 h SER 19 Ca 0.04 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1sj6 h SER 19 Cb 0.42 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1sj6 h SER 19 CO -0.14 0.02 -0.08 1.56 -0.53 0.00 0.00 176.83 177.66 1sj6 h GLN 20 N 0.18 -0.22 0.00 2.24 1.08 -0.87 -2.10 115.11 115.42 1sj6 h GLN 20 Ca 0.60 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.81 1sj6 h GLN 20 Cb 1.97 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 29.45 1sj6 h GLN 20 CO -0.17 -0.15 -0.04 -0.56 -0.95 0.00 0.00 178.83 176.96 1sj6 h GLN 21 N -0.36 0.00 -0.15 1.46 -0.00 -1.20 -1.41 115.11 113.46 1sj6 h GLN 21 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.54 1sj6 h GLN 21 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 1sj6 h GLN 21 CO 0.04 0.04 -0.30 1.03 -0.00 0.00 0.00 178.83 179.64 1sj6 h SER 22 N 0.00 0.29 -0.00 0.06 0.87 0.63 -1.76 113.55 113.64 1sj6 h SER 22 Ca -0.00 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1sj6 h SER 22 Cb 0.08 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sj6 h SER 22 CO 0.01 0.59 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.81 1sj6 h GLU 23 N 0.25 0.00 0.29 2.24 4.57 -0.54 -2.27 114.58 119.12 1sj6 h GLU 23 Ca 0.04 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1sj6 h GLU 23 Cb 0.67 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1sj6 h GLU 23 CO 0.05 0.70 -0.20 0.28 -1.18 0.00 0.00 179.01 178.66 1sj6 h VAL 24 N -0.69 0.58 -0.03 0.32 2.07 -1.44 0.61 116.25 117.68 1sj6 h VAL 24 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1sj6 h VAL 24 Cb 0.70 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1sj6 h VAL 24 CO 0.00 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.32 1sj6 h THR 25 N -0.48 1.02 -0.01 2.57 2.02 -1.44 -0.86 112.91 115.74 1sj6 h THR 25 Ca -0.02 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1sj6 h THR 25 Cb 0.41 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1sj6 h THR 25 CO 0.01 0.03 -0.01 0.03 0.37 0.00 0.00 175.52 175.95 1sj6 h ARG 26 N 0.04 0.02 -0.17 6.66 3.08 -0.79 -2.16 114.38 121.05 1sj6 h ARG 26 Ca 0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sj6 h ARG 26 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1sj6 h ARG 26 CO 0.00 0.61 0.09 0.82 -1.07 0.00 0.00 179.97 180.42 1sj6 h ILE 27 N -0.57 1.10 -0.72 2.04 2.04 -0.56 -1.94 117.51 118.89 1sj6 h ILE 27 Ca -0.00 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1sj6 h ILE 27 Cb 0.61 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1sj6 h ILE 27 CO 0.00 0.10 0.45 -0.07 0.00 0.00 0.00 178.15 178.63 1sj6 h LEU 28 N 0.16 0.75 0.06 1.44 3.38 -1.26 -1.86 115.31 117.99 1sj6 h LEU 28 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sj6 h LEU 28 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1sj6 h LEU 28 CO -0.01 0.52 -0.07 0.44 0.09 0.00 0.00 178.44 179.41 1sj6 h ASP 29 N 0.89 -0.19 -0.25 -0.43 3.32 -1.16 -2.12 116.42 116.48 1sj6 h ASP 29 Ca 0.29 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.39 1sj6 h ASP 29 Cb 0.01 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1sj6 h ASP 29 CO -0.11 -0.11 0.17 1.23 -1.72 0.00 0.00 179.24 178.71 1sj6 h GLY 30 N -0.15 0.22 2.00 2.75 0.00 -1.06 0.83 103.07 107.66 1sj6 h GLY 30 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1sj6 h GLY 30 CO -0.03 0.07 0.00 0.28 0.00 0.00 0.00 176.54 176.86 1sj6 n LYS 31 N -4.49 0.09 -3.12 4.80 5.02 -0.72 -4.91 118.16 114.82 1sj6 n LYS 31 Ca 0.02 0.18 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 1sj6 n LYS 31 Cb 0.19 -1.63 0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1sj6 n LYS 31 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1sj6 n ARG 32 N -1.79 -4.93 -3.16 1.97 3.00 0.28 -5.02 116.66 107.01 1sj6 n ARG 32 Ca 0.05 0.55 -0.26 0.00 -0.00 0.00 0.00 57.85 58.19 1sj6 n ARG 32 Cb 0.30 -4.71 -0.01 0.00 0.00 0.00 0.00 32.46 28.03 1sj6 n ARG 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1sj6 s ILE 33 N -3.22 5.03 -0.50 5.15 1.01 -1.08 -5.00 121.20 122.59 1sj6 s ILE 33 Ca 0.26 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1sj6 s ILE 33 Cb -0.11 -3.83 0.56 0.00 0.01 0.00 0.00 42.46 39.08 1sj6 s ILE 33 CO 0.48 -0.58 1.86 0.00 0.00 0.00 0.00 174.94 176.70 1sj6 n GLN 34 N -1.71 2.44 -1.37 2.79 3.00 -1.26 -4.87 117.38 116.40 1sj6 n GLN 34 Ca -0.03 -3.21 -0.34 0.00 -0.01 0.00 0.00 57.00 53.42 1sj6 n GLN 34 Cb 0.55 -2.18 0.10 0.00 0.00 0.00 0.00 30.24 28.71 1sj6 n GLN 34 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1sj6 s TYR 35 N -3.50 2.02 0.77 1.08 1.13 -1.26 -4.89 117.35 112.69 1sj6 s TYR 35 Ca 0.58 1.61 -0.02 0.00 -1.41 0.00 0.00 57.07 57.83 1sj6 s TYR 35 Cb 0.48 -3.46 0.16 0.00 -1.10 0.00 0.00 41.96 38.04 1sj6 s TYR 35 CO 0.05 -2.62 1.05 1.04 -2.51 0.00 0.00 175.55 172.56 1sj6 n GLN 36 N -2.86 -0.26 -3.31 -3.49 3.00 0.26 -4.95 117.38 105.76 1sj6 n GLN 36 Ca 0.13 -2.68 -0.24 0.00 -0.01 0.00 0.00 57.00 54.20 1sj6 n GLN 36 Cb 0.50 -0.76 -0.09 0.00 0.00 0.00 0.00 30.24 29.90 1sj6 n GLN 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1sj6 n LEU 37 N 0.00 -0.87 -4.50 1.08 0.00 -1.25 -2.53 117.00 108.92 1sj6 n LEU 37 Ca 0.17 -4.19 -0.42 0.00 0.00 0.00 0.00 56.01 51.57 1sj6 n LEU 37 Cb 0.60 0.58 -0.00 0.00 0.00 0.00 0.00 43.42 44.59 1sj6 n LEU 37 CO 0.41 1.87 2.01 1.33 0.00 0.00 0.00 177.39 183.00 1sj6 n VAL 38 N 2.84 3.75 -2.64 1.96 0.24 0.28 -4.88 118.33 119.88 1sj6 n VAL 38 Ca 0.28 -3.86 -0.43 0.00 -2.04 0.00 0.00 64.34 58.30 1sj6 n VAL 38 Cb 0.49 -2.36 -0.02 0.00 -1.47 0.00 0.00 33.84 30.48 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 4.31 7.12 0.25 -1.34 -1.08 -1.26 -3.28 116.67 121.39 1sj6 s ASP 39 Ca 0.54 1.46 0.25 0.00 -0.52 0.00 0.00 52.55 54.29 1sj6 s ASP 39 Cb 0.05 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.82 1sj6 s ASP 39 CO 0.07 -0.62 1.76 0.16 0.52 0.00 0.00 175.17 177.05 1sj6 h ILE 40 N 5.35 0.00 0.00 4.11 3.07 -1.78 -3.16 117.51 125.10 1sj6 h ILE 40 Ca -0.23 -0.43 -0.00 0.00 1.55 0.00 0.00 64.86 65.75 1sj6 h ILE 40 Cb 1.09 1.35 -0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1sj6 h ILE 40 CO 0.95 0.00 -0.01 0.28 -1.05 0.00 0.00 178.15 178.32 1sj6 h SER 41 N 0.00 0.00 0.28 2.16 0.02 -1.91 -3.07 113.55 111.03 1sj6 h SER 41 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1sj6 h SER 41 Cb 0.63 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1sj6 h SER 41 CO 0.00 0.01 -0.16 -0.61 -1.14 0.00 0.00 176.83 174.92 1sj6 h GLN 42 N 0.00 -0.40 -6.47 3.45 4.15 -1.92 -3.45 115.11 110.47 1sj6 h GLN 42 Ca -0.00 0.03 -0.63 0.00 0.77 0.00 0.00 58.65 58.81 1sj6 h GLN 42 Cb 0.02 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 27.64 1sj6 h GLN 42 CO 0.00 -0.26 -0.77 0.34 -1.93 0.00 0.00 178.83 176.21 1sj6 s ASP 43 N -2.76 3.83 0.43 -0.69 -1.08 -1.16 -5.03 116.67 110.21 1sj6 s ASP 43 Ca -0.06 -0.77 0.24 0.00 -0.52 0.00 0.00 52.55 51.44 1sj6 s ASP 43 Cb 0.01 -0.47 0.78 0.00 -1.46 0.00 0.00 42.92 41.78 1sj6 s ASP 43 CO 0.20 0.10 1.76 0.78 0.52 0.00 0.00 175.17 178.53 1sj6 h ASN 44 N 2.89 0.00 -0.38 -0.34 4.21 -1.88 -3.11 115.58 116.98 1sj6 h ASN 44 Ca -0.46 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 56.99 1sj6 h ASN 44 Cb 1.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 1sj6 h ASN 44 CO 0.53 0.21 0.01 0.00 -1.29 0.00 0.00 177.43 176.88 1sj6 h ALA 45 N 1.79 1.15 -0.85 -0.83 0.00 -1.96 -2.65 119.26 115.91 1sj6 h ALA 45 Ca -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1sj6 h ALA 45 Cb 0.85 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1sj6 h ALA 45 CO 0.03 0.55 0.43 -0.07 0.00 0.00 0.00 179.25 180.19 1sj6 h LEU 46 N 0.71 1.09 -0.09 0.00 -0.00 -1.81 0.22 115.31 115.43 1sj6 h LEU 46 Ca 0.14 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1sj6 h LEU 46 Cb 0.42 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1sj6 h LEU 46 CO 0.02 0.90 0.04 0.03 -0.00 0.00 0.00 178.44 179.43 1sj6 h ARG 47 N 1.20 0.09 -0.01 1.13 3.08 -1.58 0.37 114.38 118.66 1sj6 h ARG 47 Ca 0.29 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1sj6 h ARG 47 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1sj6 h ARG 47 CO -0.04 0.06 0.00 -3.47 -1.07 0.00 0.00 179.97 175.45 1sj6 n ASP 48 N -5.05 0.58 -0.10 7.04 2.03 -1.07 -2.62 116.55 117.36 1sj6 n ASP 48 Ca -0.05 -1.22 -0.10 0.00 0.52 0.00 0.00 54.79 53.93 1sj6 n ASP 48 Cb 0.04 -0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.28 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1sj6 n GLU 49 N -0.54 0.73 0.07 -0.67 2.13 0.74 -4.08 120.64 119.02 1sj6 n GLU 49 Ca 0.21 -0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.81 1sj6 n GLU 49 Cb 0.20 -1.51 -0.15 0.00 0.27 0.00 0.00 31.44 30.25 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 0.38 -0.05 5.31 4.05 -0.29 -2.85 114.93 121.48 1sj6 h MET 50 Ca -0.54 -0.65 -0.00 0.00 -0.28 0.00 0.00 59.70 58.22 1sj6 h MET 50 Cb 2.21 0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 33.26 1sj6 h MET 50 CO 0.02 1.31 0.03 0.00 0.23 0.00 0.00 176.91 178.50 1sj6 h ARG 51 N -0.09 0.07 0.04 0.39 -0.00 -1.72 0.30 114.38 113.37 1sj6 h ARG 51 Ca -0.26 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.21 1sj6 h ARG 51 Cb 1.94 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.89 1sj6 h ARG 51 CO 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 179.97 180.18 1sj6 h ALA 52 N 1.96 -0.05 -0.04 0.04 0.00 -1.71 -2.34 119.26 117.12 1sj6 h ALA 52 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sj6 h ALA 52 Cb 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1sj6 h ALA 52 CO -0.00 -0.05 0.03 -0.07 0.00 0.00 0.00 179.25 179.15 1sj6 h LEU 53 N -1.00 0.00 -0.03 0.00 3.38 -1.41 0.57 115.31 116.82 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 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1sj6 h LEU 53 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1sj6 n ALA 54 N -2.51 2.18 -3.48 1.53 0.00 0.10 -4.66 120.51 113.67 1sj6 n ALA 54 Ca -0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1sj6 n ALA 54 Cb 0.13 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.24 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 1.14 -0.42 0.00 0.00 0.00 0.19 -4.97 105.19 101.13 1sj6 n GLY 55 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.05 0.00 -1.21 1.61 6.94 -0.89 -5.03 115.26 113.63 1sj6 n ASN 56 Ca -0.17 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.36 1sj6 n ASN 56 Cb 0.62 0.00 0.09 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 1.79 0.00 -0.53 -0.05 -1.25 -3.36 135.00 131.59 1sj6 n PRO 57 Ca 0.00 -1.01 0.00 0.00 -0.05 0.00 0.00 63.50 62.44 1sj6 n PRO 57 Cb 0.00 -1.54 0.00 0.00 -0.05 0.00 0.00 33.50 31.91 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 0.07 -0.10 0.00 0.54 4.76 -1.26 -5.08 118.16 117.09 1sj6 n LYS 58 Ca 0.15 -0.43 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1sj6 n LYS 58 Cb 0.75 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 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 -0.06 0.00 -2.51 7.82 0.00 -1.21 -5.08 120.51 119.48 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 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.53 0.08 0.18 0.00 -4.23 -1.26 -5.07 115.64 104.80 1sj6 s THR 60 Ca 0.00 -1.58 -0.27 0.00 -1.18 0.00 0.00 61.69 58.66 1sj6 s THR 60 Cb 0.00 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.94 1sj6 s THR 60 CO 0.00 -0.36 1.55 1.55 -0.54 0.00 0.00 174.62 176.81 1sj6 h PRO 61 N 2.66 -0.07 -5.63 3.99 0.13 -1.89 -3.35 132.00 127.84 1sj6 h PRO 61 Ca -0.33 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.49 1sj6 h PRO 61 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1sj6 h PRO 61 CO 0.52 -0.04 1.00 -1.25 -0.23 0.00 0.00 178.00 178.00 1sj6 s PRO 62 N -5.67 2.14 -0.06 1.56 0.04 -1.16 -2.72 135.00 129.14 1sj6 s PRO 62 Ca -0.13 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 61.62 1sj6 s PRO 62 Cb 0.13 -4.67 0.03 0.00 0.04 0.00 0.00 34.50 30.03 1sj6 s PRO 62 CO 0.65 -3.51 0.05 -0.65 0.04 0.00 0.00 177.00 173.58 1sj6 s GLN 63 N 8.00 0.10 -0.34 4.56 -1.52 -1.20 -3.98 119.66 125.28 1sj6 s GLN 63 Ca 0.86 0.28 -0.29 0.00 -1.95 0.00 0.00 55.36 54.26 1sj6 s GLN 63 Cb -0.13 -0.71 0.02 0.00 -0.22 0.00 0.00 33.01 31.97 1sj6 s GLN 63 CO 0.16 -0.35 1.09 0.42 -0.25 0.00 0.00 175.29 176.36 1sj6 s ILE 64 N 2.12 4.46 -0.03 1.08 1.09 -1.17 -1.95 121.20 126.80 1sj6 s ILE 64 Ca 0.05 1.67 0.04 0.00 -1.10 0.00 0.00 60.65 61.31 1sj6 s ILE 64 Cb -0.12 -4.43 -0.01 0.00 -1.06 0.00 0.00 42.46 36.84 1sj6 s ILE 64 CO -0.04 -0.54 -0.16 -0.69 -0.10 0.00 0.00 174.94 173.41 1sj6 s VAL 65 N 3.76 1.33 -0.11 2.92 1.01 -1.04 -0.25 120.40 128.01 1sj6 s VAL 65 Ca 0.46 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1sj6 s VAL 65 Cb -0.12 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1sj6 s VAL 65 CO 0.17 0.38 -0.07 0.21 0.00 0.00 0.00 175.10 175.80 1sj6 s ASN 66 N -0.07 2.19 -1.59 3.32 3.84 -0.97 -1.06 114.94 120.60 1sj6 s ASN 66 Ca -0.01 -0.32 0.00 0.00 0.21 0.00 0.00 52.86 52.75 1sj6 s ASN 66 Cb -0.10 -0.81 0.00 0.00 -0.55 0.00 0.00 41.25 39.79 1sj6 s ASN 66 CO 0.01 -0.13 0.00 0.61 -2.79 0.00 0.00 177.10 174.80 1sj6 n GLY 67 N 4.96 0.08 2.06 1.21 0.00 -1.26 -2.08 105.19 110.16 1sj6 n GLY 67 Ca -0.12 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1sj6 n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sj6 n ASP 68 N -1.28 -2.75 -4.28 1.61 -0.08 -1.26 -5.05 116.55 103.45 1sj6 n ASP 68 Ca -0.20 -0.08 -0.16 0.00 -1.51 0.00 0.00 54.79 52.84 1sj6 n ASP 68 Cb 0.64 -1.65 -0.10 0.00 2.34 0.00 0.00 41.12 42.36 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1sj6 s GLN 69 N -4.88 1.15 -0.74 -0.67 -1.52 -0.88 -5.08 119.66 107.04 1sj6 s GLN 69 Ca 0.09 -1.50 -0.27 0.00 -1.95 0.00 0.00 55.36 51.73 1sj6 s GLN 69 Cb -0.04 -0.78 0.03 0.00 -0.22 0.00 0.00 33.01 32.00 1sj6 s GLN 69 CO 0.11 0.11 1.30 -0.47 -0.25 0.00 0.00 175.29 176.08 1sj6 s TYR 70 N -3.22 2.26 -0.11 0.91 5.04 -1.26 -2.28 117.35 118.69 1sj6 s TYR 70 Ca 0.19 -0.02 -0.11 0.00 -2.44 0.00 0.00 57.07 54.68 1sj6 s TYR 70 Cb 0.02 -4.61 -0.10 0.00 0.35 0.00 0.00 41.96 37.62 1sj6 s TYR 70 CO 0.03 -2.09 0.31 0.00 -1.34 0.00 0.00 175.55 172.46 1sj6 n GLY 72 N 1.63 2.10 0.00 0.00 0.00 -0.53 -4.99 105.19 103.39 1sj6 n GLY 72 Ca -0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1sj6 n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sj6 n ASP 73 N 0.00 0.00 -0.05 1.61 -0.08 -1.26 -3.02 116.55 113.75 1sj6 n ASP 73 Ca 0.00 -0.72 -0.13 0.00 -1.51 0.00 0.00 54.79 52.43 1sj6 n ASP 73 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 1sj6 n ASP 73 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1sj6 h TYR 74 N 0.72 0.39 -0.24 -0.67 3.20 -1.99 -2.78 116.97 115.60 1sj6 h TYR 74 Ca 0.00 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.78 1sj6 h TYR 74 Cb 0.00 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1sj6 h TYR 74 CO 0.00 0.77 0.03 1.49 -1.64 0.00 0.00 178.16 178.80 1sj6 h GLU 75 N -0.10 0.11 0.19 1.82 4.22 -1.97 -0.14 114.58 118.70 1sj6 h GLU 75 Ca 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1sj6 h GLU 75 Cb 0.73 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sj6 h GLU 75 CO 0.04 0.07 -0.13 -0.07 -2.18 0.00 0.00 179.01 176.74 1sj6 h LEU 76 N 0.11 -0.33 -0.62 1.64 4.07 -1.96 0.91 115.31 119.12 1sj6 h LEU 76 Ca 0.11 0.02 0.12 0.00 0.08 0.00 0.00 57.88 58.22 1sj6 h LEU 76 Cb 0.13 0.10 -0.12 0.00 1.08 0.00 0.00 40.66 41.85 1sj6 h LEU 76 CO -0.17 -0.19 -0.17 0.15 -1.08 0.00 0.00 178.44 176.98 1sj6 h PHE 77 N -0.30 -0.37 -0.26 1.13 3.04 -1.49 0.11 116.94 118.80 1sj6 h PHE 77 Ca -0.03 0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 1sj6 h PHE 77 Cb 0.25 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1sj6 h PHE 77 CO 0.02 -0.28 -0.23 0.28 -2.02 0.00 0.00 178.31 176.08 1sj6 h VAL 78 N -0.01 1.26 0.00 1.41 2.07 -0.97 -2.19 116.25 117.82 1sj6 h VAL 78 Ca 0.29 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1sj6 h VAL 78 Cb 0.46 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1sj6 h VAL 78 CO -0.64 0.39 0.00 1.21 0.02 0.00 0.00 177.57 178.54 1sj6 n GLU 79 N -4.14 0.36 -0.11 1.57 0.00 0.31 -3.26 120.64 115.38 1sj6 n GLU 79 Ca -0.00 0.06 -0.18 0.00 0.00 0.00 0.00 57.16 57.04 1sj6 n GLU 79 Cb 0.39 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.26 1sj6 n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sj6 n ALA 80 N -1.27 0.89 -0.09 4.31 0.00 -0.21 -4.33 120.51 119.82 1sj6 n ALA 80 Ca 0.12 -0.78 0.21 0.00 0.00 0.00 0.00 53.44 52.99 1sj6 n ALA 80 Cb 0.18 -0.07 0.65 0.00 0.00 0.00 0.00 19.45 20.21 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 0.70 -0.29 0.00 2.07 -1.58 1.08 116.25 117.24 1sj6 h VAL 81 Ca -0.32 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1sj6 h VAL 81 Cb 1.20 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1sj6 h VAL 81 CO -0.20 0.02 0.04 1.05 0.02 0.00 0.00 177.57 178.50 1sj6 h GLU 82 N 0.10 0.13 -0.55 1.57 -0.00 -1.75 -2.35 114.58 111.74 1sj6 h GLU 82 Ca 0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.68 1sj6 h GLU 82 Cb 1.15 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1sj6 h GLU 82 CO -0.04 0.09 0.00 0.94 -0.00 0.00 0.00 179.01 180.00 1sj6 n GLN 83 N -5.11 2.60 -1.20 1.06 7.27 -0.61 -4.91 117.38 116.48 1sj6 n GLN 83 Ca -0.00 -2.45 -0.04 0.00 0.07 0.00 0.00 57.00 54.58 1sj6 n GLN 83 Cb 0.13 -1.54 -0.02 0.00 2.41 0.00 0.00 30.24 31.23 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 -3.35 0.14 1.69 2.85 0.16 -4.91 115.26 113.41 1sj6 n ASN 84 Ca 0.22 0.09 0.12 0.00 -0.11 0.00 0.00 54.58 54.90 1sj6 n ASN 84 Cb 0.61 -1.34 0.16 0.00 1.24 0.00 0.00 39.78 40.45 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 -0.73 -0.44 1.35 0.83 -3.37 112.91 110.56 1sj6 h THR 85 Ca -0.08 -0.83 0.28 0.00 -0.55 0.00 0.00 66.41 65.23 1sj6 h THR 85 Cb 0.33 1.62 -0.11 0.00 -1.73 0.00 0.00 68.15 68.26 1sj6 h THR 85 CO 0.12 0.00 0.42 -0.11 -0.25 0.00 0.00 175.52 175.70 1sj6 n LEU 86 N -2.68 0.20 0.18 3.87 7.94 -0.96 0.99 117.00 126.53 1sj6 n LEU 86 Ca 0.03 1.01 -0.15 0.00 -1.11 0.00 0.00 56.01 55.79 1sj6 n LEU 86 Cb 0.51 -0.49 -0.07 0.00 0.53 0.00 0.00 43.42 43.89 1sj6 n LEU 86 CO 0.36 -1.12 0.64 -0.61 -1.11 0.00 0.00 177.39 175.54 1sj6 h GLN 87 N 0.00 -0.63 -0.71 1.96 4.15 -1.90 0.84 115.11 118.81 1sj6 h GLN 87 Ca 0.55 0.04 0.21 0.00 0.77 0.00 0.00 58.65 60.22 1sj6 h GLN 87 Cb 1.58 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.38 1sj6 h GLN 87 CO -0.43 -0.42 0.81 0.93 -1.93 0.00 0.00 178.83 177.79 1sj6 h GLU 88 N -0.65 0.00 0.00 1.69 3.07 0.32 1.55 114.58 120.56 1sj6 h GLU 88 Ca -0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.70 1sj6 h GLU 88 Cb 0.62 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 1sj6 h GLU 88 CO -0.11 0.00 -2.15 0.34 -1.40 0.00 0.00 179.01 175.69 1sj6 n PHE 89 N -3.48 0.00 -0.01 4.33 -0.00 -0.22 -3.92 117.46 114.16 1sj6 n PHE 89 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.60 1sj6 n PHE 89 Cb 1.06 -0.70 -0.00 0.00 -0.00 0.00 0.00 39.48 39.83 1sj6 n PHE 89 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1sj6 n LEU 90 N -2.46 0.12 -0.50 -2.13 -0.00 0.27 -4.72 117.00 107.59 1sj6 n LEU 90 Ca -0.16 0.03 0.13 0.00 -0.00 0.00 0.00 56.01 56.01 1sj6 n LEU 90 Cb 0.81 -0.51 0.28 0.00 -0.00 0.00 0.00 43.42 44.00 1sj6 n LEU 90 CO 0.44 -0.49 0.63 0.29 -0.00 0.00 0.00 177.39 178.27 1sj6 n LYS 91 N -2.61 1.42 -2.33 1.96 4.76 0.15 -4.94 118.16 116.57 1sj6 n LYS 91 Ca -0.01 -1.00 -0.06 0.00 -2.87 0.00 0.00 58.31 54.37 1sj6 n LYS 91 Cb 0.03 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.74 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 0.08 -0.59 -2.45 -0.35 7.99 0.46 0.19 117.00 122.33 1sj6 n LEU 92 Ca 0.14 0.32 -0.14 0.00 -0.01 0.00 0.00 56.01 56.32 1sj6 n LEU 92 Cb 0.42 -1.56 -0.01 0.00 -0.11 0.00 0.00 43.42 42.17 1sj6 n LEU 92 CO 0.22 -0.10 -0.18 0.00 -1.51 0.00 0.00 177.39 175.83 1sj6 n ALA 93 N -2.13 -0.75 -1.53 -1.18 0.00 -1.26 -4.84 120.51 108.82 1sj6 n ALA 93 Ca -0.08 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 1sj6 n ALA 93 Cb 0.52 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.87 6.77 0.00 0.00 0.00 0.13 -5.13 117.00 115.90 1sj6 n LEU 94 Ca -0.16 -4.19 0.00 0.00 0.00 0.00 0.00 56.01 51.66 1sj6 n LEU 94 Cb 0.63 -1.17 0.00 0.00 0.00 0.00 0.00 43.42 42.88 1sj6 n LEU 94 CO 0.20 1.68 0.08 -0.62 0.00 0.00 0.00 177.39 178.73