#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 -0.69 0.03 6.12 0.01 -1.26 -5.18 113.70 112.73 1sj6 s SER 2 Ca 0.00 1.00 -0.10 0.00 1.31 0.00 0.00 55.95 58.16 1sj6 s SER 2 Cb 0.00 0.90 0.01 0.00 0.21 0.00 0.00 66.02 67.14 1sj6 s SER 2 CO 0.00 -0.47 0.21 -0.83 0.41 0.00 0.00 173.24 172.56 1sj6 s GLY 3 N -0.58 -0.00 0.07 3.44 0.00 -1.26 -5.04 107.32 103.94 1sj6 s GLY 3 Ca -0.07 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.57 1sj6 s GLY 3 CO 0.07 -0.34 -0.24 1.08 0.00 0.00 0.00 173.10 173.66 1sj6 s LEU 4 N -1.91 2.21 -0.31 0.66 1.02 -1.26 -3.79 118.68 115.30 1sj6 s LEU 4 Ca -0.07 -0.61 -0.04 0.00 0.02 0.00 0.00 54.13 53.43 1sj6 s LEU 4 Cb -0.02 -1.12 0.04 0.00 0.02 0.00 0.00 46.19 45.10 1sj6 s LEU 4 CO -0.02 0.19 0.03 -0.13 0.02 0.00 0.00 176.35 176.44 1sj6 s ARG 5 N -1.44 2.60 -0.24 1.70 0.52 -0.35 -2.65 118.95 119.08 1sj6 s ARG 5 Ca 0.10 -1.17 -0.10 0.00 -0.52 0.00 0.00 55.73 54.04 1sj6 s ARG 5 Cb -0.10 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 1sj6 s ARG 5 CO 0.03 -0.59 0.16 0.08 0.02 0.00 0.00 175.30 175.00 1sj6 s VAL 6 N 1.33 5.33 0.38 3.52 1.01 -1.17 0.10 120.40 130.90 1sj6 s VAL 6 Ca -0.03 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 1sj6 s VAL 6 Cb -0.19 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1sj6 s VAL 6 CO 0.00 0.33 0.95 -0.31 0.00 0.00 0.00 175.10 176.07 1sj6 s TYR 7 N 1.14 3.48 0.33 5.22 2.02 0.28 -0.30 117.35 129.53 1sj6 s TYR 7 Ca 0.07 1.69 -0.14 0.00 -0.37 0.00 0.00 57.07 58.33 1sj6 s TYR 7 Cb -0.14 -2.89 0.03 0.00 -0.40 0.00 0.00 41.96 38.56 1sj6 s TYR 7 CO 0.05 0.03 0.65 0.45 -1.57 0.00 0.00 175.55 175.16 1sj6 s SER 8 N -1.92 0.11 -0.23 2.29 0.15 -1.11 -3.40 113.70 109.59 1sj6 s SER 8 Ca 0.57 -1.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 1sj6 s SER 8 Cb -0.14 0.74 0.07 0.00 -1.71 0.00 0.00 66.02 64.98 1sj6 s SER 8 CO 0.18 -1.43 0.05 0.28 1.20 0.00 0.00 173.24 173.52 1sj6 s THR 9 N -3.15 0.65 0.29 6.45 -1.32 -1.26 -1.95 115.64 115.35 1sj6 s THR 9 Ca 0.19 -0.84 -0.02 0.00 -1.21 0.00 0.00 61.69 59.81 1sj6 s THR 9 Cb -0.03 -1.25 0.26 0.00 -1.51 0.00 0.00 72.50 69.97 1sj6 s THR 9 CO 0.12 -0.36 1.96 0.77 -2.21 0.00 0.00 174.62 174.90 1sj6 h SER 10 N 8.19 0.96 -2.56 8.08 4.64 -1.95 -3.31 113.55 127.61 1sj6 h SER 10 Ca -0.16 -0.02 -0.74 0.00 -0.47 0.00 0.00 61.79 60.41 1sj6 h SER 10 Cb 1.08 -0.23 -0.20 0.00 -0.31 0.00 0.00 62.40 62.74 1sj6 h SER 10 CO 0.38 0.69 0.98 -0.69 -0.87 0.00 0.00 176.83 177.32 1sj6 s VAL 11 N -5.94 5.11 0.10 0.95 1.01 -1.26 -5.01 120.40 115.35 1sj6 s VAL 11 Ca -0.12 -2.40 -0.18 0.00 0.00 0.00 0.00 61.98 59.28 1sj6 s VAL 11 Cb 0.18 -4.80 -0.07 0.00 0.00 0.00 0.00 36.38 31.70 1sj6 s VAL 11 CO 0.80 -1.48 0.57 -0.89 0.00 0.00 0.00 175.10 174.09 1sj6 s THR 12 N 1.44 4.77 0.00 3.92 2.01 -1.25 -4.96 115.64 121.57 1sj6 s THR 12 Ca 0.36 1.10 0.03 0.00 0.31 0.00 0.00 61.69 63.49 1sj6 s THR 12 Cb -0.05 -3.85 0.04 0.00 0.01 0.00 0.00 72.50 68.66 1sj6 s THR 12 CO -0.05 0.45 0.80 0.61 -0.69 0.00 0.00 174.62 175.75 1sj6 n GLY 13 N 1.42 0.77 0.04 4.40 0.00 -1.26 -4.91 105.19 105.64 1sj6 n GLY 13 Ca -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 0.05 2.29 0.00 1.61 2.88 -1.26 -5.00 113.62 114.19 1sj6 n SER 14 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1sj6 n SER 14 Cb 0.66 1.02 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 1sj6 n SER 14 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1sj6 n ARG 15 N -2.25 0.00 -0.10 -1.46 1.74 -1.26 -4.72 116.66 108.61 1sj6 n ARG 15 Ca -0.13 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.84 1sj6 n ARG 15 Cb 0.68 -0.94 -0.15 0.00 -1.02 0.00 0.00 32.46 31.03 1sj6 n ARG 15 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1sj6 n GLU 16 N -2.00 0.73 -0.01 5.56 4.07 -1.26 -4.35 120.64 123.38 1sj6 n GLU 16 Ca 0.00 0.02 0.02 0.00 -0.06 0.00 0.00 57.16 57.14 1sj6 n GLU 16 Cb 0.00 -1.51 0.36 0.00 -0.06 0.00 0.00 31.44 30.23 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1sj6 h ILE 17 N 0.00 1.15 -0.45 6.31 1.08 -1.99 -2.51 117.51 121.10 1sj6 h ILE 17 Ca -0.55 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 1sj6 h ILE 17 Cb 2.16 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 36.57 1sj6 h ILE 17 CO 0.01 0.18 0.20 0.11 -0.69 0.00 0.00 178.15 177.96 1sj6 h LYS 18 N 0.55 0.66 -0.09 2.37 1.57 -1.97 0.86 116.57 120.52 1sj6 h LYS 18 Ca 0.14 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1sj6 h LYS 18 Cb 0.10 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1sj6 h LYS 18 CO -0.01 0.58 0.06 1.03 -0.57 0.00 0.00 179.45 180.53 1sj6 h SER 19 N 0.58 0.08 0.53 0.86 0.87 -1.65 0.52 113.55 115.34 1sj6 h SER 19 Ca 0.15 -0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.47 1sj6 h SER 19 Cb 0.15 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1sj6 h SER 19 CO -0.02 0.05 -1.64 0.00 -0.53 0.00 0.00 176.83 174.70 1sj6 n GLN 20 N -4.52 0.63 -0.02 2.24 3.00 -0.87 -3.03 117.38 114.81 1sj6 n GLN 20 Ca -0.01 0.23 -0.16 0.00 -0.01 0.00 0.00 57.00 57.05 1sj6 n GLN 20 Cb 0.11 -1.77 -0.12 0.00 0.00 0.00 0.00 30.24 28.45 1sj6 n GLN 20 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1sj6 h GLN 21 N 0.00 0.19 -0.37 -1.09 4.15 0.16 -3.00 115.11 115.14 1sj6 h GLN 21 Ca -0.25 -0.24 -0.16 0.00 0.77 0.00 0.00 58.65 58.78 1sj6 h GLN 21 Cb 1.83 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.59 1sj6 h GLN 21 CO 0.06 1.02 -0.39 0.77 -1.93 0.00 0.00 178.83 178.36 1sj6 h SER 22 N -0.54 0.95 -0.16 -0.69 0.02 -0.17 -2.43 113.55 110.53 1sj6 h SER 22 Ca -0.05 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1sj6 h SER 22 Cb 1.17 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1sj6 h SER 22 CO 0.07 1.22 0.05 -0.08 -1.14 0.00 0.00 176.83 176.95 1sj6 h GLU 23 N 0.73 0.12 -0.01 3.45 4.81 -1.66 0.78 114.58 122.80 1sj6 h GLU 23 Ca 0.06 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1sj6 h GLU 23 Cb 0.97 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1sj6 h GLU 23 CO 0.09 0.08 -0.31 0.28 -0.73 0.00 0.00 179.01 178.42 1sj6 h VAL 24 N 0.12 1.23 0.03 0.32 2.07 -1.53 -2.73 116.25 115.77 1sj6 h VAL 24 Ca 0.07 -1.10 -0.24 0.00 0.82 0.00 0.00 66.70 66.25 1sj6 h VAL 24 Cb 0.05 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1sj6 h VAL 24 CO -0.08 0.32 -1.18 0.71 0.02 0.00 0.00 177.57 177.36 1sj6 h THR 25 N 0.02 1.52 -0.67 2.57 1.35 -0.88 -2.83 112.91 113.99 1sj6 h THR 25 Ca 0.00 -3.22 -0.06 0.00 -0.55 0.00 0.00 66.41 62.58 1sj6 h THR 25 Cb 0.57 2.80 -0.03 0.00 -1.73 0.00 0.00 68.15 69.76 1sj6 h THR 25 CO 0.04 0.89 0.18 -0.09 -0.25 0.00 0.00 175.52 176.29 1sj6 h ARG 26 N 0.02 1.05 0.08 4.72 2.43 0.85 0.15 114.38 123.68 1sj6 h ARG 26 Ca -0.09 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1sj6 h ARG 26 Cb 1.86 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1sj6 h ARG 26 CO 0.14 0.93 -0.04 0.82 -1.51 0.00 0.00 179.97 180.31 1sj6 h ILE 27 N 0.98 1.11 -0.24 1.20 2.04 -1.59 -2.04 117.51 118.97 1sj6 h ILE 27 Ca 0.21 -1.46 0.02 0.00 1.00 0.00 0.00 64.86 64.63 1sj6 h ILE 27 Cb 0.34 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1sj6 h ILE 27 CO -0.00 0.32 0.09 -0.07 0.00 0.00 0.00 178.15 178.49 1sj6 h LEU 28 N -0.86 0.11 0.34 1.44 3.38 -1.53 0.93 115.31 119.12 1sj6 h LEU 28 Ca -0.01 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1sj6 h LEU 28 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1sj6 h LEU 28 CO 0.02 0.10 -0.16 -0.78 0.09 0.00 0.00 178.44 177.70 1sj6 h ASP 29 N 0.21 -0.38 -0.17 -0.43 1.82 -0.82 -2.24 116.42 114.41 1sj6 h ASP 29 Ca 0.10 0.01 0.05 0.00 -0.39 0.00 0.00 57.03 56.80 1sj6 h ASP 29 Cb 0.06 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 1sj6 h ASP 29 CO -0.10 -0.27 0.12 1.23 -1.61 0.00 0.00 179.24 178.61 1sj6 h GLY 30 N -0.46 0.01 2.00 -0.78 0.00 -1.19 0.19 103.07 102.85 1sj6 h GLY 30 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1sj6 h GLY 30 CO 0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.90 1sj6 n LYS 31 N -4.49 0.07 -3.14 4.80 5.02 0.30 -4.90 118.16 115.83 1sj6 n LYS 31 Ca 0.01 0.23 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 1sj6 n LYS 31 Cb 0.25 -1.61 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.74 -5.11 -2.45 1.97 3.00 0.67 -5.01 116.66 107.98 1sj6 n ARG 32 Ca 0.04 0.58 -0.29 0.00 -0.01 0.00 0.00 57.85 58.17 1sj6 n ARG 32 Cb 0.25 -4.82 -0.01 0.00 0.00 0.00 0.00 32.46 27.88 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 -3.23 4.81 -0.59 0.55 1.01 -1.08 -5.01 121.20 117.65 1sj6 s ILE 33 Ca 0.24 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1sj6 s ILE 33 Cb -0.11 -3.83 0.39 0.00 0.01 0.00 0.00 42.46 38.92 1sj6 s ILE 33 CO 0.50 -0.86 1.38 0.00 0.00 0.00 0.00 174.94 175.95 1sj6 n GLN 34 N -2.18 3.32 -3.87 2.79 1.13 -1.26 -4.93 117.38 112.38 1sj6 n GLN 34 Ca 0.03 -4.28 -0.23 0.00 -1.94 0.00 0.00 57.00 50.57 1sj6 n GLN 34 Cb 0.55 -2.26 -0.02 0.00 0.11 0.00 0.00 30.24 28.61 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 -3.72 3.47 0.71 1.08 1.13 -1.26 -4.81 117.35 113.95 1sj6 s TYR 35 Ca 0.49 0.09 0.02 0.00 -1.41 0.00 0.00 57.07 56.25 1sj6 s TYR 35 Cb 0.39 -1.66 0.14 0.00 -1.10 0.00 0.00 41.96 39.73 1sj6 s TYR 35 CO -0.24 0.42 0.98 0.00 -2.51 0.00 0.00 175.55 174.19 1sj6 n GLN 36 N -1.18 0.01 -3.67 -3.49 0.00 -1.09 -5.02 117.38 102.95 1sj6 n GLN 36 Ca -0.08 -2.84 -0.30 0.00 0.00 0.00 0.00 57.00 53.79 1sj6 n GLN 36 Cb 0.56 -0.59 -0.14 0.00 0.00 0.00 0.00 30.24 30.06 1sj6 n GLN 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1sj6 s LEU 37 N 0.00 1.92 -1.30 2.61 0.20 -1.26 -3.07 118.68 117.77 1sj6 s LEU 37 Ca 0.66 -1.84 -0.18 0.00 0.69 0.00 0.00 54.13 53.46 1sj6 s LEU 37 Cb -0.04 -0.76 0.06 0.00 -0.43 0.00 0.00 46.19 45.02 1sj6 s LEU 37 CO 0.44 -0.38 1.78 1.33 -0.29 0.00 0.00 176.35 179.23 1sj6 n VAL 38 N 4.56 3.82 -2.65 1.68 0.24 0.59 -4.88 118.33 121.69 1sj6 n VAL 38 Ca 0.01 -3.94 -0.42 0.00 -2.04 0.00 0.00 64.34 57.95 1sj6 n VAL 38 Cb 0.40 -2.36 -0.03 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 4.29 7.26 0.19 -1.34 -1.08 -1.26 -3.21 116.67 121.51 1sj6 s ASP 39 Ca 0.54 1.65 0.24 0.00 -0.52 0.00 0.00 52.55 54.46 1sj6 s ASP 39 Cb 0.04 -2.56 0.34 0.00 -1.46 0.00 0.00 42.92 39.28 1sj6 s ASP 39 CO 0.07 -0.39 1.37 0.16 0.52 0.00 0.00 175.17 176.90 1sj6 h ILE 40 N 4.93 0.00 -0.02 4.11 3.07 -1.71 -3.32 117.51 124.56 1sj6 h ILE 40 Ca -0.36 -0.66 0.01 0.00 1.55 0.00 0.00 64.86 65.39 1sj6 h ILE 40 Cb 1.18 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 39.07 1sj6 h ILE 40 CO 0.81 0.00 0.02 -1.28 -1.05 0.00 0.00 178.15 176.65 1sj6 h SER 41 N 0.00 0.00 0.21 2.16 0.87 -1.92 -3.08 113.55 111.78 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 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1sj6 h SER 41 CO 0.00 0.00 -0.11 -0.61 -0.53 0.00 0.00 176.83 175.58 1sj6 h GLN 42 N 0.00 -0.27 -5.53 2.24 -0.00 -1.92 -3.43 115.11 106.19 1sj6 h GLN 42 Ca 0.01 0.02 -0.66 0.00 -0.00 0.00 0.00 58.65 58.02 1sj6 h GLN 42 Cb 0.05 0.06 -0.25 0.00 0.00 0.00 0.00 27.48 27.35 1sj6 h GLN 42 CO -0.00 -0.18 -0.75 -0.51 0.00 0.00 0.00 178.83 177.39 1sj6 s ASP 43 N -2.46 4.15 0.59 -0.69 1.01 -1.16 -4.99 116.67 113.12 1sj6 s ASP 43 Ca -0.04 -0.26 0.29 0.00 0.71 0.00 0.00 52.55 53.25 1sj6 s ASP 43 Cb 0.00 -1.48 1.68 0.00 1.01 0.00 0.00 42.92 44.14 1sj6 s ASP 43 CO 0.13 0.21 2.10 -0.55 0.21 0.00 0.00 175.17 177.27 1sj6 h ASN 44 N 6.39 0.00 -0.86 0.27 7.08 -1.84 -1.24 115.58 125.38 1sj6 h ASN 44 Ca -0.31 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.91 1sj6 h ASN 44 Cb 1.20 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.40 1sj6 h ASN 44 CO 0.55 0.00 0.53 0.00 -2.08 0.00 0.00 177.43 176.44 1sj6 h ALA 45 N 1.76 1.10 -0.15 4.14 0.00 -1.94 -1.83 119.26 122.33 1sj6 h ALA 45 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sj6 h ALA 45 Cb 0.48 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sj6 h ALA 45 CO -0.00 0.54 -0.07 -0.07 0.00 0.00 0.00 179.25 179.65 1sj6 h LEU 46 N 1.18 0.21 0.25 0.00 4.07 -1.47 0.13 115.31 119.68 1sj6 h LEU 46 Ca 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 1sj6 h LEU 46 Cb -0.07 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1sj6 h LEU 46 CO -0.06 0.31 -0.12 -0.09 -1.08 0.00 0.00 178.44 177.40 1sj6 h ARG 47 N 0.22 -0.33 -0.01 1.13 2.43 -1.38 0.48 114.38 116.92 1sj6 h ARG 47 Ca 0.05 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1sj6 h ARG 47 Cb 0.27 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1sj6 h ARG 47 CO 0.01 -0.09 0.00 -0.25 -1.51 0.00 0.00 179.97 178.13 1sj6 n ASP 48 N -5.16 0.62 -0.12 -3.80 9.92 -1.08 -2.60 116.55 114.33 1sj6 n ASP 48 Ca -0.09 -1.23 -0.15 0.00 -0.53 0.00 0.00 54.79 52.78 1sj6 n ASP 48 Cb 0.21 -0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.55 1sj6 n ASP 48 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1sj6 n GLU 49 N -0.50 0.67 0.06 -1.24 4.07 0.45 -3.52 120.64 120.62 1sj6 n GLU 49 Ca 0.21 0.09 -0.11 0.00 -0.06 0.00 0.00 57.16 57.29 1sj6 n GLU 49 Cb 0.21 -1.52 -0.00 0.00 -0.06 0.00 0.00 31.44 30.06 1sj6 n GLU 49 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1sj6 h MET 50 N 0.00 0.40 -0.22 5.31 4.05 -0.06 -2.88 114.93 121.54 1sj6 h MET 50 Ca -0.57 -0.37 -0.10 0.00 -0.28 0.00 0.00 59.70 58.38 1sj6 h MET 50 Cb 2.04 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 32.92 1sj6 h MET 50 CO -0.04 1.02 -0.25 0.00 0.23 0.00 0.00 176.91 177.87 1sj6 h ARG 51 N 0.25 0.55 -0.38 0.39 3.08 -1.70 0.19 114.38 116.76 1sj6 h ARG 51 Ca -0.05 -0.30 0.05 0.00 0.07 0.00 0.00 59.98 59.75 1sj6 h ARG 51 Cb 1.42 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.44 1sj6 h ARG 51 CO 0.14 0.90 0.10 0.00 -1.07 0.00 0.00 179.97 180.03 1sj6 h ALA 52 N 0.65 0.42 0.00 0.04 0.00 -1.60 -0.57 119.26 118.20 1sj6 h ALA 52 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sj6 h ALA 52 Cb 0.81 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1sj6 h ALA 52 CO 0.06 -0.30 -0.17 -0.07 0.00 0.00 0.00 179.25 178.77 1sj6 h LEU 53 N 0.23 0.00 -1.12 0.00 3.38 -1.50 -3.10 115.31 113.20 1sj6 h LEU 53 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1sj6 h LEU 53 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1sj6 h LEU 53 CO -0.22 0.17 -0.34 0.00 0.09 0.00 0.00 178.44 178.14 1sj6 h ALA 54 N 1.83 1.09 -4.90 1.53 0.00 0.86 -3.46 119.26 116.21 1sj6 h ALA 54 Ca -0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 1sj6 h ALA 54 Cb 0.97 -0.05 0.12 0.00 0.00 0.00 0.00 17.79 18.83 1sj6 h ALA 54 CO 0.02 0.43 -0.58 0.41 0.00 0.00 0.00 179.25 179.53 1sj6 n GLY 55 N 0.00 -0.22 0.00 0.00 0.00 -0.49 -4.98 105.19 99.50 1sj6 n GLY 55 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.42 0.00 -1.14 1.61 6.94 -1.25 -5.02 115.26 113.98 1sj6 n ASN 56 Ca -0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.41 1sj6 n ASN 56 Cb 0.59 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.09 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 1.65 0.00 -0.53 -0.05 -1.26 -3.31 135.00 131.49 1sj6 n PRO 57 Ca 0.00 -0.83 0.00 0.00 -0.05 0.00 0.00 63.50 62.62 1sj6 n PRO 57 Cb 0.00 -1.48 -0.00 0.00 -0.05 0.00 0.00 33.50 31.96 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 0.11 5.34 0.00 0.54 4.01 -1.26 -5.05 118.16 121.84 1sj6 n LYS 58 Ca 0.12 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1sj6 n LYS 58 Cb 0.68 -0.62 0.00 0.00 -0.51 0.00 0.00 35.03 34.59 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 -0.81 0.00 -3.18 7.82 0.00 -1.21 -5.08 120.51 118.06 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 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.54 0.02 0.31 0.00 -4.23 -1.26 -5.05 115.64 104.88 1sj6 s THR 60 Ca 0.00 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 1sj6 s THR 60 Cb 0.00 -1.93 0.33 0.00 1.34 0.00 0.00 72.50 72.24 1sj6 s THR 60 CO 0.00 -0.09 1.64 -0.65 -0.54 0.00 0.00 174.62 174.98 1sj6 h PRO 61 N 2.27 0.20 -5.34 3.99 0.11 -1.91 -3.33 132.00 128.00 1sj6 h PRO 61 Ca -0.27 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.64 1sj6 h PRO 61 Cb 1.25 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1sj6 h PRO 61 CO 0.37 0.13 0.56 -2.14 -0.21 0.00 0.00 178.00 176.72 1sj6 s PRO 62 N -5.86 1.90 -0.12 1.05 0.02 -1.24 -2.77 135.00 127.98 1sj6 s PRO 62 Ca -0.12 -0.69 -0.02 0.00 0.02 0.00 0.00 61.00 60.19 1sj6 s PRO 62 Cb 0.27 -5.09 0.04 0.00 0.02 0.00 0.00 34.50 29.75 1sj6 s PRO 62 CO 0.78 -4.59 0.03 -0.65 -0.33 0.00 0.00 177.00 172.23 1sj6 s GLN 63 N 7.49 0.50 0.01 5.54 -1.52 -1.22 -1.97 119.66 128.49 1sj6 s GLN 63 Ca 0.75 -0.07 -0.13 0.00 -1.95 0.00 0.00 55.36 53.97 1sj6 s GLN 63 Cb -0.04 -1.42 -0.06 0.00 -0.22 0.00 0.00 33.01 31.28 1sj6 s GLN 63 CO 0.14 -0.46 0.38 0.42 -0.25 0.00 0.00 175.29 175.52 1sj6 s ILE 64 N 1.97 5.09 -0.05 1.08 1.09 -1.15 0.10 121.20 129.33 1sj6 s ILE 64 Ca 0.03 0.68 0.07 0.00 -1.10 0.00 0.00 60.65 60.32 1sj6 s ILE 64 Cb -0.14 -3.67 -0.01 0.00 -1.06 0.00 0.00 42.46 37.58 1sj6 s ILE 64 CO -0.06 0.51 -0.25 -0.69 -0.10 0.00 0.00 174.94 174.34 1sj6 s VAL 65 N -1.16 2.03 -1.12 2.92 1.01 0.28 -2.79 120.40 121.58 1sj6 s VAL 65 Ca 0.25 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1sj6 s VAL 65 Cb -0.16 -1.71 0.28 0.00 0.00 0.00 0.00 36.38 34.79 1sj6 s VAL 65 CO 0.14 0.57 1.33 -3.20 0.00 0.00 0.00 175.10 173.94 1sj6 n ASN 66 N 2.79 5.84 0.00 3.32 4.05 -0.96 -1.21 115.26 129.10 1sj6 n ASN 66 Ca -0.17 -3.19 0.00 0.00 0.45 0.00 0.00 54.58 51.67 1sj6 n ASN 66 Cb 0.52 -1.36 0.00 0.00 1.23 0.00 0.00 39.78 40.17 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 2.24 2.05 1.63 8.20 0.00 -1.25 -3.95 105.19 114.11 1sj6 n GLY 67 Ca 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 4.13 -0.58 -3.98 1.61 5.68 -1.26 -4.95 116.55 117.20 1sj6 n ASP 68 Ca 0.00 -2.05 -0.09 0.00 -0.50 0.00 0.00 54.79 52.15 1sj6 n ASP 68 Cb 0.00 0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 40.13 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 -0.27 0.91 -0.69 0.11 -0.21 -1.25 -5.10 119.66 113.15 1sj6 s GLN 69 Ca 0.10 -1.16 -0.27 0.00 0.02 0.00 0.00 55.36 54.05 1sj6 s GLN 69 Cb 0.20 0.31 0.03 0.00 1.00 0.00 0.00 33.01 34.55 1sj6 s GLN 69 CO -0.06 -0.28 1.27 -0.47 -2.12 0.00 0.00 175.29 173.62 1sj6 s TYR 70 N -3.94 2.35 0.03 0.91 5.04 -1.26 -2.25 117.35 118.23 1sj6 s TYR 70 Ca 0.12 0.09 -0.16 0.00 -2.44 0.00 0.00 57.07 54.68 1sj6 s TYR 70 Cb 0.05 -4.59 -0.34 0.00 0.35 0.00 0.00 41.96 37.43 1sj6 s TYR 70 CO -0.05 -1.96 1.01 0.00 -1.34 0.00 0.00 175.55 173.21 1sj6 n GLY 72 N 1.65 -0.66 0.00 0.00 0.00 -1.14 -5.04 105.19 100.00 1sj6 n GLY 72 Ca -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.08 1.61 5.68 -1.26 -2.94 116.55 119.72 1sj6 n ASP 73 Ca 0.00 -0.44 -0.12 0.00 -0.50 0.00 0.00 54.79 53.73 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 0.44 -0.55 -0.18 2.11 3.20 -1.79 -0.93 116.97 119.28 1sj6 h TYR 74 Ca 0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1sj6 h TYR 74 Cb 0.00 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 1sj6 h TYR 74 CO 0.00 -0.30 -0.44 1.49 -1.64 0.00 0.00 178.16 177.27 1sj6 h GLU 75 N -0.37 -0.46 0.42 1.82 4.22 -1.97 0.56 114.58 118.80 1sj6 h GLU 75 Ca 0.04 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 1sj6 h GLU 75 Cb 0.41 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1sj6 h GLU 75 CO -0.15 -0.31 -0.31 -0.07 -2.18 0.00 0.00 179.01 175.99 1sj6 h LEU 76 N -0.48 -0.81 -0.50 1.64 4.07 -1.92 0.99 115.31 118.30 1sj6 h LEU 76 Ca 0.08 0.05 0.09 0.00 0.08 0.00 0.00 57.88 58.18 1sj6 h LEU 76 Cb 0.63 0.25 -0.10 0.00 1.08 0.00 0.00 40.66 42.52 1sj6 h LEU 76 CO -0.43 -0.45 -0.33 0.15 -1.08 0.00 0.00 178.44 176.30 1sj6 h PHE 77 N -0.70 -0.92 -0.08 1.13 3.04 -1.03 0.32 116.94 118.69 1sj6 h PHE 77 Ca -0.06 0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1sj6 h PHE 77 Cb 0.58 0.48 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 1sj6 h PHE 77 CO -0.09 -0.38 -0.15 0.28 -2.02 0.00 0.00 178.31 175.95 1sj6 h VAL 78 N -0.21 1.16 0.00 1.41 2.07 0.21 -1.00 116.25 119.89 1sj6 h VAL 78 Ca 0.20 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1sj6 h VAL 78 Cb 0.54 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1sj6 h VAL 78 CO -0.61 0.21 0.00 1.21 0.02 0.00 0.00 177.57 178.40 1sj6 n GLU 79 N -4.30 0.78 -0.13 1.57 2.13 0.34 -3.57 120.64 117.47 1sj6 n GLU 79 Ca -0.01 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.54 1sj6 n GLU 79 Cb 0.26 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.10 1.07 -0.08 4.31 0.00 0.22 -4.36 120.51 120.57 1sj6 n ALA 80 Ca 0.20 -0.92 0.17 0.00 0.00 0.00 0.00 53.44 52.89 1sj6 n ALA 80 Cb 0.15 -0.06 0.60 0.00 0.00 0.00 0.00 19.45 20.14 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 0.77 -0.45 0.00 2.07 -1.59 1.08 116.25 117.13 1sj6 h VAL 81 Ca -0.59 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 66.93 1sj6 h VAL 81 Cb 1.51 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1sj6 h VAL 81 CO -0.36 0.04 0.08 1.05 0.02 0.00 0.00 177.57 178.40 1sj6 h GLU 82 N 0.21 0.21 -0.52 1.57 -0.00 -1.76 -1.81 114.58 112.48 1sj6 h GLU 82 Ca 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 1sj6 h GLU 82 Cb 0.91 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.61 1sj6 h GLU 82 CO -0.06 0.14 0.00 0.94 -0.00 0.00 0.00 179.01 180.03 1sj6 n GLN 83 N -5.11 2.60 -1.27 1.06 7.27 -0.67 -4.92 117.38 116.34 1sj6 n GLN 83 Ca 0.04 -2.45 -0.04 0.00 0.07 0.00 0.00 57.00 54.62 1sj6 n GLN 83 Cb 0.21 -1.54 -0.02 0.00 2.41 0.00 0.00 30.24 31.31 1sj6 n GLN 83 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1sj6 n ASN 84 N 1.58 -3.27 0.12 1.69 3.02 -0.07 -4.91 115.26 113.42 1sj6 n ASN 84 Ca 0.21 0.09 0.12 0.00 -0.03 0.00 0.00 54.58 54.97 1sj6 n ASN 84 Cb 0.62 -1.38 0.14 0.00 -0.61 0.00 0.00 39.78 38.55 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1sj6 h THR 85 N 0.00 0.00 -0.60 3.41 1.35 0.87 -3.38 112.91 114.56 1sj6 h THR 85 Ca -0.09 -0.79 0.21 0.00 -0.55 0.00 0.00 66.41 65.18 1sj6 h THR 85 Cb 0.40 1.50 -0.11 0.00 -1.73 0.00 0.00 68.15 68.21 1sj6 h THR 85 CO 0.12 0.00 0.16 -0.11 -0.25 0.00 0.00 175.52 175.44 1sj6 n LEU 86 N -2.57 0.06 0.17 3.87 -0.00 -0.95 0.12 117.00 117.71 1sj6 n LEU 86 Ca 0.03 1.01 -0.14 0.00 -0.00 0.00 0.00 56.01 56.91 1sj6 n LEU 86 Cb 0.50 -0.43 -0.07 0.00 -0.00 0.00 0.00 43.42 43.43 1sj6 n LEU 86 CO 0.36 -1.07 0.71 -0.61 -0.00 0.00 0.00 177.39 176.78 1sj6 h GLN 87 N 0.00 -0.49 -0.94 1.96 4.15 -1.91 0.47 115.11 118.35 1sj6 h GLN 87 Ca 0.43 0.03 0.27 0.00 0.77 0.00 0.00 58.65 60.16 1sj6 h GLN 87 Cb 1.03 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.79 1sj6 h GLN 87 CO -0.52 -0.32 0.97 0.93 -1.93 0.00 0.00 178.83 177.96 1sj6 h GLU 88 N -0.50 0.00 0.00 1.69 3.07 0.69 1.39 114.58 120.91 1sj6 h GLU 88 Ca -0.01 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.59 1sj6 h GLU 88 Cb 0.46 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 1sj6 h GLU 88 CO -0.03 0.00 -2.27 0.34 -1.40 0.00 0.00 179.01 175.65 1sj6 n PHE 89 N -3.53 0.00 0.00 4.33 -0.00 -0.50 -3.88 117.46 113.87 1sj6 n PHE 89 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 1sj6 n PHE 89 Cb 1.27 -0.85 0.00 0.00 -0.00 0.00 0.00 39.48 39.90 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 0.97 0.03 -2.13 4.77 0.33 -4.67 117.00 113.71 1sj6 n LEU 90 Ca -0.24 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1sj6 n LEU 90 Cb 0.98 -0.12 0.34 0.00 -2.33 0.00 0.00 43.42 42.29 1sj6 n LEU 90 CO 0.44 -0.12 0.61 0.29 -1.33 0.00 0.00 177.39 177.28 1sj6 n LYS 91 N -1.36 0.13 -3.00 3.23 4.76 0.44 -4.93 118.16 117.43 1sj6 n LYS 91 Ca 0.00 0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.31 1sj6 n LYS 91 Cb 0.00 -1.60 -0.00 0.00 -1.84 0.00 0.00 35.03 31.59 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 -1.80 -1.43 -0.40 -0.35 4.32 0.39 0.96 117.00 118.69 1sj6 n LEU 92 Ca 0.05 -0.15 -0.05 0.00 -0.02 0.00 0.00 56.01 55.84 1sj6 n LEU 92 Cb 0.38 -2.14 -0.02 0.00 -1.62 0.00 0.00 43.42 40.02 1sj6 n LEU 92 CO 0.33 0.06 -0.05 0.00 -1.22 0.00 0.00 177.39 176.51 1sj6 n ALA 93 N -3.04 -0.08 -0.92 -1.18 0.00 -1.26 -4.50 120.51 109.53 1sj6 n ALA 93 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1sj6 n ALA 93 Cb 0.57 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.59 0.00 0.00 0.00 4.77 0.27 -5.15 117.00 116.29 1sj6 n LEU 94 Ca -0.05 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1sj6 n LEU 94 Cb 0.37 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.74 1sj6 n LEU 94 CO 0.08 0.00 0.50 1.21 -1.33 0.00 0.00 177.39 177.85