#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 6.46 0.40 3.17 0.15 -1.26 -5.00 113.70 117.63 1sj6 s SER 2 Ca 0.00 0.11 -0.15 0.00 0.70 0.00 0.00 55.95 56.61 1sj6 s SER 2 Cb 0.00 -2.38 0.06 0.00 -1.71 0.00 0.00 66.02 61.99 1sj6 s SER 2 CO 0.00 -0.78 0.80 0.61 1.20 0.00 0.00 173.24 175.07 1sj6 n GLY 3 N 4.75 0.97 3.03 9.45 0.00 -1.26 -5.15 105.19 116.98 1sj6 n GLY 3 Ca 0.02 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1sj6 n GLY 3 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj6 s LEU 4 N 0.00 2.27 -1.12 0.99 2.01 -1.26 -4.70 118.68 116.87 1sj6 s LEU 4 Ca 0.16 -0.83 -0.13 0.00 0.01 0.00 0.00 54.13 53.34 1sj6 s LEU 4 Cb -0.05 -1.30 0.20 0.00 0.01 0.00 0.00 46.19 45.06 1sj6 s LEU 4 CO 0.12 -0.11 1.25 -0.13 1.01 0.00 0.00 176.35 178.49 1sj6 s ARG 5 N 1.36 4.04 -0.33 1.70 1.81 0.22 0.29 118.95 128.04 1sj6 s ARG 5 Ca 0.00 -2.69 -0.27 0.00 -1.72 0.00 0.00 55.73 51.04 1sj6 s ARG 5 Cb -0.15 -4.84 0.01 0.00 -0.45 0.00 0.00 34.95 29.52 1sj6 s ARG 5 CO -0.09 -1.56 1.00 0.08 -0.68 0.00 0.00 175.30 174.05 1sj6 s VAL 6 N 0.68 4.56 0.47 3.52 1.01 -1.18 -1.42 120.40 128.04 1sj6 s VAL 6 Ca 0.36 1.54 -0.19 0.00 0.00 0.00 0.00 61.98 63.69 1sj6 s VAL 6 Cb -0.06 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1sj6 s VAL 6 CO -0.04 -0.46 0.97 -0.31 0.00 0.00 0.00 175.10 175.26 1sj6 s TYR 7 N 3.52 3.36 0.40 5.22 1.51 0.20 0.13 117.35 131.69 1sj6 s TYR 7 Ca 0.42 1.54 -0.15 0.00 -1.01 0.00 0.00 57.07 57.87 1sj6 s TYR 7 Cb -0.12 -2.83 0.06 0.00 -0.11 0.00 0.00 41.96 38.95 1sj6 s TYR 7 CO 0.16 -0.27 0.80 0.45 -1.11 0.00 0.00 175.55 175.58 1sj6 s SER 8 N -2.59 0.04 -0.20 2.29 0.15 -0.91 -2.93 113.70 109.56 1sj6 s SER 8 Ca 0.61 -1.22 0.01 0.00 0.70 0.00 0.00 55.95 56.05 1sj6 s SER 8 Cb -0.10 0.87 0.04 0.00 -1.71 0.00 0.00 66.02 65.13 1sj6 s SER 8 CO 0.22 -1.74 -0.09 0.28 1.20 0.00 0.00 173.24 173.11 1sj6 s THR 9 N -2.09 1.57 0.07 6.45 -1.32 -1.26 -3.15 115.64 115.91 1sj6 s THR 9 Ca 0.16 -0.97 -0.21 0.00 -1.21 0.00 0.00 61.69 59.46 1sj6 s THR 9 Cb -0.05 -1.67 -0.11 0.00 -1.51 0.00 0.00 72.50 69.16 1sj6 s THR 9 CO 0.12 0.15 1.57 -1.28 -2.21 0.00 0.00 174.62 172.97 1sj6 h SER 10 N 7.99 0.22 -3.57 8.08 0.87 -1.94 -3.39 113.55 121.81 1sj6 h SER 10 Ca -0.27 -0.22 -0.67 0.00 -1.23 0.00 0.00 61.79 59.40 1sj6 h SER 10 Cb 1.10 -0.06 -0.17 0.00 -0.44 0.00 0.00 62.40 62.83 1sj6 h SER 10 CO 0.46 0.38 -0.06 0.54 -0.53 0.00 0.00 176.83 177.62 1sj6 s VAL 11 N -5.33 4.98 0.40 2.23 0.11 -1.26 -5.06 120.40 116.46 1sj6 s VAL 11 Ca -0.14 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 58.76 1sj6 s VAL 11 Cb 0.06 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.77 1sj6 s VAL 11 CO 0.70 -0.47 0.68 0.42 -3.33 0.00 0.00 175.10 173.11 1sj6 s THR 12 N 2.43 4.95 0.00 5.04 -4.23 -1.26 -5.01 115.64 117.56 1sj6 s THR 12 Ca 0.17 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1sj6 s THR 12 Cb -0.16 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1sj6 s THR 12 CO 0.16 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1sj6 n GLY 13 N -1.67 0.00 0.00 3.99 0.00 -1.26 -5.12 105.19 101.13 1sj6 n GLY 13 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.05 0.00 -0.00 1.61 2.88 -1.26 -5.03 113.62 109.77 1sj6 n SER 14 Ca 0.00 -0.75 0.05 0.00 -1.33 0.00 0.00 58.87 56.84 1sj6 n SER 14 Cb 0.04 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.75 2.32 -0.10 -1.46 0.63 -1.26 -4.55 116.66 111.50 1sj6 n ARG 15 Ca 0.00 -0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 56.78 1sj6 n ARG 15 Cb 0.00 -1.08 -0.15 0.00 0.45 0.00 0.00 32.46 31.68 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 -1.49 0.70 0.12 -0.14 4.71 -1.26 -4.25 120.64 119.03 1sj6 n GLU 16 Ca 0.00 0.01 0.13 0.00 -0.01 0.00 0.00 57.16 57.29 1sj6 n GLU 16 Cb 0.20 -1.52 0.64 0.00 -1.01 0.00 0.00 31.44 29.75 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 0.89 0.01 -3.67 1.08 -1.98 -0.52 117.51 113.31 1sj6 h ILE 17 Ca -0.55 -0.02 -0.20 0.00 -0.39 0.00 0.00 64.86 63.70 1sj6 h ILE 17 Cb 2.21 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.77 1sj6 h ILE 17 CO 0.02 0.01 -0.94 0.11 -0.69 0.00 0.00 178.15 176.66 1sj6 h LYS 18 N 0.05 0.06 -0.01 2.37 1.57 -1.81 -3.21 116.57 115.58 1sj6 h LYS 18 Ca 0.13 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1sj6 h LYS 18 Cb 0.45 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1sj6 h LYS 18 CO -0.01 0.95 -0.35 1.03 -0.57 0.00 0.00 179.45 180.50 1sj6 h SER 19 N 0.02 0.02 0.24 0.86 0.87 -1.28 -0.51 113.55 113.77 1sj6 h SER 19 Ca -0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1sj6 h SER 19 Cb 1.63 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1sj6 h SER 19 CO 0.13 0.37 -0.11 1.56 -0.53 0.00 0.00 176.83 178.25 1sj6 h GLN 20 N 0.02 -0.31 -0.84 2.24 1.08 -1.48 -1.01 115.11 114.81 1sj6 h GLN 20 Ca -0.00 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1sj6 h GLN 20 Cb 0.63 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.08 1sj6 h GLN 20 CO 0.05 -0.20 0.55 -0.56 -0.95 0.00 0.00 178.83 177.71 1sj6 h GLN 21 N -0.46 1.00 -0.75 1.46 3.07 -1.62 -1.78 115.11 116.03 1sj6 h GLN 21 Ca -0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.61 1sj6 h GLN 21 Cb 0.24 -0.23 -0.03 0.00 0.08 0.00 0.00 27.48 27.54 1sj6 h GLN 21 CO 0.05 0.66 0.33 1.03 0.09 0.00 0.00 178.83 181.00 1sj6 h SER 22 N 1.03 1.00 0.05 0.06 0.87 -1.16 -1.22 113.55 114.18 1sj6 h SER 22 Ca 0.34 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1sj6 h SER 22 Cb 0.05 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1sj6 h SER 22 CO -0.10 0.87 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.97 1sj6 h GLU 23 N 1.06 -0.06 0.49 2.24 4.57 -0.43 -0.37 114.58 122.08 1sj6 h GLU 23 Ca 0.25 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1sj6 h GLU 23 Cb 0.16 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1sj6 h GLU 23 CO -0.03 0.22 -0.37 0.28 -1.18 0.00 0.00 179.01 177.93 1sj6 h VAL 24 N -0.34 0.25 -0.04 0.32 2.07 -1.26 -0.69 116.25 116.56 1sj6 h VAL 24 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sj6 h VAL 24 Cb 0.31 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1sj6 h VAL 24 CO 0.01 0.00 0.03 0.71 0.02 0.00 0.00 177.57 178.34 1sj6 h THR 25 N -0.84 0.91 0.00 2.57 1.35 -1.28 0.11 112.91 115.73 1sj6 h THR 25 Ca -0.05 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.69 1sj6 h THR 25 Cb 0.72 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 1sj6 h THR 25 CO 0.01 0.00 -0.58 0.03 -0.25 0.00 0.00 175.52 174.73 1sj6 h ARG 26 N 0.00 0.00 0.00 4.72 3.08 -0.40 -0.75 114.38 121.04 1sj6 h ARG 26 Ca 0.02 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 1sj6 h ARG 26 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1sj6 h ARG 26 CO -0.00 0.58 -1.56 0.82 -1.07 0.00 0.00 179.97 178.73 1sj6 h ILE 27 N 0.00 0.78 0.13 2.04 2.04 0.37 -3.22 117.51 119.65 1sj6 h ILE 27 Ca -0.01 -2.51 -0.20 0.00 1.00 0.00 0.00 64.86 63.14 1sj6 h ILE 27 Cb 1.07 2.32 0.02 0.00 -0.74 0.00 0.00 36.82 39.49 1sj6 h ILE 27 CO 0.07 0.44 -0.87 -0.07 0.00 0.00 0.00 178.15 177.73 1sj6 h LEU 28 N 0.00 0.53 -0.86 1.44 3.38 -0.82 -3.31 115.31 115.67 1sj6 h LEU 28 Ca -0.23 -0.92 -0.05 0.00 0.09 0.00 0.00 57.88 56.77 1sj6 h LEU 28 Cb 1.86 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 1sj6 h LEU 28 CO 0.07 1.41 0.25 -0.78 0.09 0.00 0.00 178.44 179.48 1sj6 h ASP 29 N -0.25 1.01 -0.09 -0.43 3.58 -1.31 -2.10 116.42 116.84 1sj6 h ASP 29 Ca -0.15 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.16 1sj6 h ASP 29 Cb 1.66 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.44 1sj6 h ASP 29 CO 0.16 0.93 0.14 1.23 -2.88 0.00 0.00 179.24 178.82 1sj6 h GLY 30 N 1.10 0.00 -1.55 -0.78 0.00 -1.65 0.24 103.07 100.43 1sj6 h GLY 30 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1sj6 h GLY 30 CO -0.01 0.00 -0.06 0.28 0.00 0.00 0.00 176.54 176.75 1sj6 n LYS 31 N -3.54 2.06 -3.38 4.80 5.02 -0.81 -4.97 118.16 117.35 1sj6 n LYS 31 Ca -0.01 -1.64 -0.18 0.00 -2.02 0.00 0.00 58.31 54.46 1sj6 n LYS 31 Cb 0.24 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.96 -6.53 -2.67 1.97 1.74 0.85 -5.00 116.66 107.98 1sj6 n ARG 32 Ca 0.14 0.76 -0.27 0.00 -0.77 0.00 0.00 57.85 57.71 1sj6 n ARG 32 Cb 0.54 -5.55 -0.00 0.00 -1.02 0.00 0.00 32.46 26.43 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 4.87 -0.41 0.55 1.01 -1.08 -5.01 121.20 117.82 1sj6 s ILE 33 Ca 0.23 0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.07 1sj6 s ILE 33 Cb -0.10 -3.85 0.47 0.00 0.01 0.00 0.00 42.46 38.99 1sj6 s ILE 33 CO 0.66 -0.81 1.53 0.00 0.00 0.00 0.00 174.94 176.32 1sj6 n GLN 34 N -2.24 2.88 -1.87 2.79 3.00 -1.26 -4.85 117.38 115.82 1sj6 n GLN 34 Ca 0.00 -3.65 -0.37 0.00 -0.01 0.00 0.00 57.00 52.98 1sj6 n GLN 34 Cb 0.55 -2.17 0.05 0.00 0.00 0.00 0.00 30.24 28.67 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 -3.58 2.23 0.93 1.08 1.13 -1.26 -4.85 117.35 113.02 1sj6 s TYR 35 Ca 0.54 1.49 -0.15 0.00 -1.41 0.00 0.00 57.07 57.54 1sj6 s TYR 35 Cb 0.44 -3.61 0.18 0.00 -1.10 0.00 0.00 41.96 37.86 1sj6 s TYR 35 CO 0.02 -2.62 1.29 -1.14 -2.51 0.00 0.00 175.55 170.59 1sj6 s GLN 36 N -3.32 0.91 -0.35 -3.49 -0.44 0.14 -4.96 119.66 108.16 1sj6 s GLN 36 Ca 0.80 -0.31 -0.01 0.00 -2.50 0.00 0.00 55.36 53.34 1sj6 s GLN 36 Cb -0.35 -1.87 0.13 0.00 -1.64 0.00 0.00 33.01 29.29 1sj6 s GLN 36 CO 0.37 -2.25 0.20 -1.17 0.50 0.00 0.00 175.29 172.94 1sj6 s LEU 37 N -5.83 1.03 -1.31 3.68 2.96 -1.25 -3.12 118.68 114.86 1sj6 s LEU 37 Ca 0.72 -2.06 -0.18 0.00 -0.22 0.00 0.00 54.13 52.39 1sj6 s LEU 37 Cb -0.05 -0.44 0.06 0.00 0.50 0.00 0.00 46.19 46.26 1sj6 s LEU 37 CO 0.52 -0.33 1.78 0.52 -1.32 0.00 0.00 176.35 177.52 1sj6 n VAL 38 N 4.22 3.84 -2.53 1.68 0.31 0.35 -4.90 118.33 121.31 1sj6 n VAL 38 Ca 0.09 -3.95 -0.42 0.00 -0.01 0.00 0.00 64.34 60.05 1sj6 n VAL 38 Cb 0.38 -2.36 -0.03 0.00 -0.91 0.00 0.00 33.84 30.92 1sj6 n VAL 38 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sj6 s ASP 39 N 4.24 6.30 0.47 4.52 1.11 -1.26 -2.51 116.67 129.54 1sj6 s ASP 39 Ca 0.54 -0.01 0.31 0.00 0.18 0.00 0.00 52.55 53.58 1sj6 s ASP 39 Cb 0.05 -2.55 1.35 0.00 1.07 0.00 0.00 42.92 42.84 1sj6 s ASP 39 CO 0.07 -1.63 1.93 0.16 1.18 0.00 0.00 175.17 176.88 1sj6 h ILE 40 N 6.17 0.00 0.00 0.77 3.07 -1.87 -2.74 117.51 122.92 1sj6 h ILE 40 Ca -0.26 -0.36 -0.00 0.00 1.55 0.00 0.00 64.86 65.78 1sj6 h ILE 40 Cb 1.06 1.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1sj6 h ILE 40 CO 1.21 0.00 -0.02 -1.28 -1.05 0.00 0.00 178.15 177.01 1sj6 h SER 41 N 0.00 0.00 0.28 2.16 0.87 -1.89 -3.09 113.55 111.88 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 0.40 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1sj6 h SER 41 CO 0.00 0.02 -0.18 -0.61 -0.53 0.00 0.00 176.83 175.54 1sj6 h GLN 42 N 0.00 -0.41 -6.57 2.24 4.15 -1.87 -3.44 115.11 109.20 1sj6 h GLN 42 Ca -0.00 0.03 -0.69 0.00 0.77 0.00 0.00 58.65 58.76 1sj6 h GLN 42 Cb 0.06 0.09 -0.25 0.00 0.21 0.00 0.00 27.48 27.60 1sj6 h GLN 42 CO 0.00 -0.27 -0.83 0.34 -1.93 0.00 0.00 178.83 176.14 1sj6 s ASP 43 N -2.83 3.58 0.54 -0.69 -1.08 -1.17 -5.01 116.67 110.01 1sj6 s ASP 43 Ca -0.07 -0.43 0.28 0.00 -0.52 0.00 0.00 52.55 51.82 1sj6 s ASP 43 Cb 0.01 -0.54 1.55 0.00 -1.46 0.00 0.00 42.92 42.48 1sj6 s ASP 43 CO 0.21 0.28 2.12 -1.13 0.52 0.00 0.00 175.17 177.17 1sj6 h ASN 44 N 4.91 0.00 -0.18 -0.34 -1.24 -1.86 -2.20 115.58 114.66 1sj6 h ASN 44 Ca -0.46 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.51 1sj6 h ASN 44 Cb 1.15 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.18 1sj6 h ASN 44 CO 0.47 0.09 0.02 0.00 -1.29 0.00 0.00 177.43 176.72 1sj6 h ALA 45 N 1.91 1.51 -0.07 1.57 0.00 -1.95 -1.90 119.26 120.33 1sj6 h ALA 45 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1sj6 h ALA 45 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sj6 h ALA 45 CO 0.01 0.36 -0.31 -0.07 0.00 0.00 0.00 179.25 179.24 1sj6 h LEU 46 N 0.41 0.14 -0.16 0.00 4.07 -1.64 0.06 115.31 118.18 1sj6 h LEU 46 Ca 0.09 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 1sj6 h LEU 46 Cb 0.24 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1sj6 h LEU 46 CO 0.00 0.45 -0.14 0.03 -1.08 0.00 0.00 178.44 177.70 1sj6 h ARG 47 N 0.12 0.38 -0.01 1.13 3.08 -1.44 -1.27 114.38 116.38 1sj6 h ARG 47 Ca 0.02 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1sj6 h ARG 47 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1sj6 h ARG 47 CO 0.05 0.75 0.00 -3.47 -1.07 0.00 0.00 179.97 176.22 1sj6 n ASP 48 N -4.54 0.59 -0.09 7.04 -0.08 -1.05 -2.61 116.55 115.81 1sj6 n ASP 48 Ca -0.06 -1.23 -0.07 0.00 -1.51 0.00 0.00 54.79 51.92 1sj6 n ASP 48 Cb 0.36 -0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.66 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 -0.52 0.72 0.02 -0.67 2.13 -0.01 -4.31 120.64 118.00 1sj6 n GLU 49 Ca 0.21 -0.03 -0.13 0.00 0.66 0.00 0.00 57.16 57.87 1sj6 n GLU 49 Cb 0.20 -1.51 -0.14 0.00 0.27 0.00 0.00 31.44 30.26 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 0.12 0.00 5.31 4.05 -1.23 -2.84 114.93 120.34 1sj6 h MET 50 Ca -0.48 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 58.74 1sj6 h MET 50 Cb 2.09 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.97 1sj6 h MET 50 CO 0.03 0.86 -0.00 0.00 0.23 0.00 0.00 176.91 178.03 1sj6 h ARG 51 N 0.03 0.00 0.00 0.39 -0.00 -1.71 0.10 114.38 113.19 1sj6 h ARG 51 Ca -0.25 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.04 1sj6 h ARG 51 Cb 1.98 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.93 1sj6 h ARG 51 CO 0.11 0.00 -1.18 0.00 0.00 0.00 0.00 179.97 178.90 1sj6 n ALA 52 N -2.53 0.74 0.18 0.04 0.00 -1.25 -2.78 120.51 114.91 1sj6 n ALA 52 Ca -0.03 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.02 1sj6 n ALA 52 Cb 0.09 -0.31 0.76 0.00 0.00 0.00 0.00 19.45 19.98 1sj6 n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sj6 h LEU 53 N -1.00 0.00 -0.03 0.00 3.38 -1.46 0.21 115.31 116.40 1sj6 h LEU 53 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1sj6 h LEU 53 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1sj6 h LEU 53 CO -0.17 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.20 1sj6 n ALA 54 N -2.46 2.75 -3.53 1.53 0.00 0.36 -3.97 120.51 115.19 1sj6 n ALA 54 Ca 0.02 -0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1sj6 n ALA 54 Cb 0.31 -1.35 0.08 0.00 0.00 0.00 0.00 19.45 18.49 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 1.46 -0.42 0.00 0.00 0.00 0.72 -4.97 105.19 101.98 1sj6 n GLY 55 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.07 0.00 -1.20 1.61 6.94 -1.12 -5.03 115.26 113.39 1sj6 n ASN 56 Ca -0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.35 1sj6 n ASN 56 Cb 0.63 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.14 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 1.78 0.00 -0.53 -0.05 -1.25 -3.36 135.00 131.59 1sj6 n PRO 57 Ca 0.00 -0.99 0.00 0.00 -0.05 0.00 0.00 63.50 62.46 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 0.16 0.00 0.54 5.02 -1.26 -5.08 118.16 117.61 1sj6 n LYS 58 Ca 0.15 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1sj6 n LYS 58 Cb 0.74 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sj6 n ALA 59 N -0.08 0.00 -2.33 7.82 0.00 -1.21 -5.08 120.51 119.63 1sj6 n ALA 59 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1sj6 n ALA 59 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.38 0.10 0.23 0.00 -4.23 -1.26 -5.06 115.64 105.03 1sj6 s THR 60 Ca 0.00 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 58.68 1sj6 s THR 60 Cb 0.00 -1.92 0.29 0.00 1.34 0.00 0.00 72.50 72.21 1sj6 s THR 60 CO 0.00 -0.46 1.61 -0.65 -0.54 0.00 0.00 174.62 174.58 1sj6 h PRO 61 N 2.79 0.02 -5.65 3.99 0.11 -1.91 -3.34 132.00 128.00 1sj6 h PRO 61 Ca -0.34 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.52 1sj6 h PRO 61 Cb 1.20 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1sj6 h PRO 61 CO 0.56 0.01 0.63 -1.25 -0.21 0.00 0.00 178.00 177.74 1sj6 s PRO 62 N -6.22 2.37 -0.03 1.05 0.04 -1.24 -2.14 135.00 128.84 1sj6 s PRO 62 Ca -0.14 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 60.82 1sj6 s PRO 62 Cb 0.21 -4.98 0.02 0.00 0.04 0.00 0.00 34.50 29.79 1sj6 s PRO 62 CO 0.75 -3.56 -0.04 -0.65 0.04 0.00 0.00 177.00 173.54 1sj6 s GLN 63 N 7.38 0.62 -0.15 4.56 -1.52 -1.15 -4.09 119.66 125.32 1sj6 s GLN 63 Ca 0.75 -0.09 -0.21 0.00 -1.95 0.00 0.00 55.36 53.85 1sj6 s GLN 63 Cb -0.08 -0.66 -0.03 0.00 -0.22 0.00 0.00 33.01 32.02 1sj6 s GLN 63 CO 0.02 -0.04 0.62 0.42 -0.25 0.00 0.00 175.29 176.06 1sj6 s ILE 64 N 0.67 5.06 -0.01 1.08 1.09 -1.20 0.59 121.20 128.48 1sj6 s ILE 64 Ca -0.08 1.22 0.03 0.00 -1.10 0.00 0.00 60.65 60.72 1sj6 s ILE 64 Cb -0.11 -3.95 -0.01 0.00 -1.06 0.00 0.00 42.46 37.33 1sj6 s ILE 64 CO -0.00 0.19 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.24 1sj6 s VAL 65 N 1.35 0.80 -0.86 2.92 1.01 -0.51 0.29 120.40 125.40 1sj6 s VAL 65 Ca 0.31 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1sj6 s VAL 65 Cb -0.16 -0.67 0.34 0.00 0.00 0.00 0.00 36.38 35.89 1sj6 s VAL 65 CO 0.12 0.23 2.03 -3.20 0.00 0.00 0.00 175.10 174.28 1sj6 n ASN 66 N 2.88 7.50 0.00 3.32 4.05 -1.19 -0.61 115.26 131.21 1sj6 n ASN 66 Ca -0.14 -3.81 0.00 0.00 0.45 0.00 0.00 54.58 51.08 1sj6 n ASN 66 Cb 0.56 -1.08 0.00 0.00 1.23 0.00 0.00 39.78 40.49 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 -0.46 2.06 2.75 8.20 0.00 -1.26 -4.55 105.19 111.93 1sj6 n GLY 67 Ca 0.53 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 2.34 0.05 -3.84 1.61 5.68 -1.26 -5.02 116.55 116.11 1sj6 n ASP 68 Ca 0.00 -2.14 -0.10 0.00 -0.50 0.00 0.00 54.79 52.05 1sj6 n ASP 68 Cb 0.00 0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1sj6 s GLN 69 N -1.84 1.16 -0.62 0.11 -0.21 -1.26 -5.07 119.66 111.94 1sj6 s GLN 69 Ca 0.18 -1.00 -0.28 0.00 0.02 0.00 0.00 55.36 54.29 1sj6 s GLN 69 Cb 0.39 0.42 0.03 0.00 1.00 0.00 0.00 33.01 34.85 1sj6 s GLN 69 CO -0.08 -0.45 1.24 -0.47 -2.12 0.00 0.00 175.29 173.41 1sj6 s TYR 70 N -3.91 2.49 -0.13 0.91 5.04 -1.25 -3.14 117.35 117.36 1sj6 s TYR 70 Ca 0.11 0.30 -0.29 0.00 -2.44 0.00 0.00 57.07 54.76 1sj6 s TYR 70 Cb 0.02 -4.54 -0.25 0.00 0.35 0.00 0.00 41.96 37.54 1sj6 s TYR 70 CO -0.04 -1.75 0.80 0.00 -1.34 0.00 0.00 175.55 173.22 1sj6 n GLY 72 N 1.52 1.49 0.00 0.00 0.00 -0.50 -4.97 105.19 102.73 1sj6 n GLY 72 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.04 1.61 -0.08 -1.26 -3.26 116.55 113.52 1sj6 n ASP 73 Ca 0.00 -0.56 -0.14 0.00 -1.51 0.00 0.00 54.79 52.59 1sj6 n ASP 73 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 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 0.56 0.31 -0.30 -0.67 5.03 -2.00 -2.83 116.97 117.07 1sj6 h TYR 74 Ca 0.00 -0.11 0.04 0.00 2.58 0.00 0.00 58.73 61.23 1sj6 h TYR 74 Cb 0.00 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.19 1sj6 h TYR 74 CO 0.00 0.76 0.08 1.49 -1.32 0.00 0.00 178.16 179.17 1sj6 h GLU 75 N -0.23 0.20 0.22 1.82 4.22 -1.97 -0.62 114.58 118.22 1sj6 h GLU 75 Ca 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1sj6 h GLU 75 Cb 0.75 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sj6 h GLU 75 CO 0.04 0.13 -0.14 -0.07 -2.18 0.00 0.00 179.01 176.78 1sj6 h LEU 76 N 0.20 -0.36 -0.67 1.64 4.07 -1.96 0.84 115.31 119.08 1sj6 h LEU 76 Ca 0.14 0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.25 1sj6 h LEU 76 Cb 0.13 0.11 -0.13 0.00 1.08 0.00 0.00 40.66 41.85 1sj6 h LEU 76 CO -0.16 -0.22 -0.17 0.15 -1.08 0.00 0.00 178.44 176.96 1sj6 h PHE 77 N -0.34 -0.36 -0.06 1.13 3.04 -1.50 0.34 116.94 119.18 1sj6 h PHE 77 Ca -0.03 0.06 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 1sj6 h PHE 77 Cb 0.28 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1sj6 h PHE 77 CO 0.03 -0.29 -0.35 0.28 -2.02 0.00 0.00 178.31 175.96 1sj6 h VAL 78 N -0.00 1.27 0.00 1.41 2.07 -1.05 -2.13 116.25 117.82 1sj6 h VAL 78 Ca 0.32 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1sj6 h VAL 78 Cb 0.49 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1sj6 h VAL 78 CO -0.69 0.38 0.00 1.21 0.02 0.00 0.00 177.57 178.49 1sj6 n GLU 79 N -4.10 0.74 -0.13 1.57 2.13 0.29 -3.55 120.64 117.59 1sj6 n GLU 79 Ca -0.02 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.54 1sj6 n GLU 79 Cb 0.41 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 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 -1.13 1.12 0.02 4.31 0.00 -0.05 -4.38 120.51 120.40 1sj6 n ALA 80 Ca 0.19 -1.01 0.21 0.00 0.00 0.00 0.00 53.44 52.83 1sj6 n ALA 80 Cb 0.17 0.07 0.72 0.00 0.00 0.00 0.00 19.45 20.40 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 0.63 -0.19 0.00 2.07 -1.60 0.95 116.25 117.10 1sj6 h VAL 81 Ca -0.59 0.00 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1sj6 h VAL 81 Cb 1.51 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1sj6 h VAL 81 CO -0.36 0.00 0.05 1.05 0.02 0.00 0.00 177.57 178.33 1sj6 h GLU 82 N 0.00 0.13 -0.60 1.57 -0.00 -1.76 -2.60 114.58 111.32 1sj6 h GLU 82 Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.60 1sj6 h GLU 82 Cb 1.05 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.77 1sj6 h GLU 82 CO -0.00 0.09 0.00 0.94 -0.00 0.00 0.00 179.01 180.03 1sj6 n GLN 83 N -5.07 2.64 -1.17 1.06 0.00 -0.62 -4.91 117.38 109.31 1sj6 n GLN 83 Ca -0.03 -2.53 -0.05 0.00 -0.00 0.00 0.00 57.00 54.39 1sj6 n GLN 83 Cb 0.08 -1.55 -0.02 0.00 0.00 0.00 0.00 30.24 28.75 1sj6 n GLN 83 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1sj6 n ASN 84 N 1.61 -3.62 0.13 1.69 2.85 0.14 -4.90 115.26 113.17 1sj6 n ASN 84 Ca 0.23 0.13 0.12 0.00 -0.11 0.00 0.00 54.58 54.95 1sj6 n ASN 84 Cb 0.62 -1.62 0.24 0.00 1.24 0.00 0.00 39.78 40.26 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1sj6 h THR 85 N 0.00 0.00 -0.62 -0.44 2.02 0.55 -3.37 112.91 111.05 1sj6 h THR 85 Ca -0.11 -0.71 0.18 0.00 0.77 0.00 0.00 66.41 66.54 1sj6 h THR 85 Cb 0.36 1.57 -0.12 0.00 -1.74 0.00 0.00 68.15 68.23 1sj6 h THR 85 CO 0.16 0.00 0.04 -0.11 0.37 0.00 0.00 175.52 175.98 1sj6 n LEU 86 N -2.55 -0.05 0.05 2.58 7.94 -0.98 0.12 117.00 124.12 1sj6 n LEU 86 Ca 0.04 1.05 -0.11 0.00 -1.11 0.00 0.00 56.01 55.88 1sj6 n LEU 86 Cb 0.48 -0.40 -0.04 0.00 0.53 0.00 0.00 43.42 43.99 1sj6 n LEU 86 CO 0.34 -1.08 0.71 -0.61 -1.11 0.00 0.00 177.39 175.64 1sj6 h GLN 87 N 0.00 -0.33 -0.60 1.96 4.15 -1.91 0.97 115.11 119.35 1sj6 h GLN 87 Ca 0.39 0.02 0.17 0.00 0.77 0.00 0.00 58.65 60.01 1sj6 h GLN 87 Cb 0.84 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1sj6 h GLN 87 CO -0.57 -0.22 0.73 1.49 -1.93 0.00 0.00 178.83 178.33 1sj6 h GLU 88 N -0.35 0.00 0.00 1.69 4.57 0.63 1.27 114.58 122.39 1sj6 h GLU 88 Ca 0.06 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.99 1sj6 h GLU 88 Cb 0.43 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 1sj6 h GLU 88 CO -0.21 0.00 -2.25 0.34 -1.18 0.00 0.00 179.01 175.71 1sj6 n PHE 89 N -3.44 0.00 0.00 0.92 -0.00 0.21 -3.91 117.46 111.24 1sj6 n PHE 89 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1sj6 n PHE 89 Cb 0.94 -0.84 0.00 0.00 -0.00 0.00 0.00 39.48 39.59 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 -2.59 0.84 -0.14 -2.13 4.77 0.31 -4.67 117.00 113.39 1sj6 n LEU 90 Ca -0.24 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 1sj6 n LEU 90 Cb 0.98 -0.20 0.30 0.00 -2.33 0.00 0.00 43.42 42.16 1sj6 n LEU 90 CO 0.43 -0.20 0.54 0.29 -1.33 0.00 0.00 177.39 177.11 1sj6 n LYS 91 N -1.53 0.48 -2.10 3.23 4.76 0.34 -4.93 118.16 118.40 1sj6 n LYS 91 Ca 0.00 -0.29 -0.06 0.00 -2.87 0.00 0.00 58.31 55.09 1sj6 n LYS 91 Cb 0.00 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.69 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 -1.01 -0.51 0.00 -0.35 7.99 0.38 -3.54 117.00 119.96 1sj6 n LEU 92 Ca 0.09 0.30 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 1sj6 n LEU 92 Cb 0.35 -1.43 0.00 0.00 -0.11 0.00 0.00 43.42 42.22 1sj6 n LEU 92 CO 0.30 -0.13 0.00 0.00 -1.51 0.00 0.00 177.39 176.05 1sj6 n ALA 93 N -1.79 0.00 0.00 -1.18 0.00 -1.26 -4.89 120.51 111.40 1sj6 n ALA 93 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1sj6 n ALA 93 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1sj6 n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sj6 n LEU 94 N 0.00 0.00 -0.47 0.00 4.77 -1.23 -4.97 117.00 115.09 1sj6 n LEU 94 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1sj6 n LEU 94 Cb 0.00 0.31 0.53 0.00 -2.33 0.00 0.00 43.42 41.93 1sj6 n LEU 94 CO 0.00 -0.31 0.87 1.21 -1.33 0.00 0.00 177.39 177.84