#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 6.20 0.01 7.83 0.01 -1.26 -5.03 113.70 121.46 1sj6 s SER 2 Ca 0.00 -1.10 -0.08 0.00 1.31 0.00 0.00 55.95 56.08 1sj6 s SER 2 Cb 0.00 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1sj6 s SER 2 CO 0.00 -1.39 0.30 -0.83 0.41 0.00 0.00 173.24 171.73 1sj6 s GLY 3 N 3.68 2.29 -0.24 3.44 0.00 -1.26 -4.46 107.32 110.78 1sj6 s GLY 3 Ca 0.22 -0.49 -0.18 0.00 0.00 0.00 0.00 44.72 44.26 1sj6 s GLY 3 CO 0.09 -0.26 0.62 1.08 0.00 0.00 0.00 173.10 174.62 1sj6 s LEU 4 N -1.60 -0.53 -1.00 0.66 1.43 -1.26 -4.56 118.68 111.82 1sj6 s LEU 4 Ca 0.27 1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1sj6 s LEU 4 Cb -0.14 2.12 0.25 0.00 0.03 0.00 0.00 46.19 48.45 1sj6 s LEU 4 CO 0.15 -0.22 0.94 -0.13 0.23 0.00 0.00 176.35 177.32 1sj6 s ARG 5 N 0.89 3.73 -0.25 1.70 0.52 -0.36 0.51 118.95 125.68 1sj6 s ARG 5 Ca -0.04 -3.27 -0.29 0.00 -0.52 0.00 0.00 55.73 51.60 1sj6 s ARG 5 Cb -0.05 -4.24 0.01 0.00 0.52 0.00 0.00 34.95 31.19 1sj6 s ARG 5 CO -0.08 -1.25 1.05 0.08 0.02 0.00 0.00 175.30 175.12 1sj6 s VAL 6 N -1.35 4.64 0.40 3.52 1.01 -1.17 -2.24 120.40 125.22 1sj6 s VAL 6 Ca 0.29 1.96 -0.22 0.00 0.00 0.00 0.00 61.98 64.01 1sj6 s VAL 6 Cb -0.08 -4.33 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 1sj6 s VAL 6 CO -0.10 -0.25 0.95 -0.31 0.00 0.00 0.00 175.10 175.38 1sj6 s TYR 7 N 3.31 3.40 0.29 5.22 2.02 0.12 -0.12 117.35 131.60 1sj6 s TYR 7 Ca 0.44 1.65 -0.19 0.00 -0.37 0.00 0.00 57.07 58.60 1sj6 s TYR 7 Cb -0.14 -2.87 0.02 0.00 -0.40 0.00 0.00 41.96 38.57 1sj6 s TYR 7 CO 0.08 -0.04 0.70 -1.12 -1.57 0.00 0.00 175.55 173.60 1sj6 s SER 8 N -2.04 -0.19 -0.40 2.29 0.01 -0.96 -2.79 113.70 109.63 1sj6 s SER 8 Ca 0.59 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 57.15 1sj6 s SER 8 Cb -0.11 0.73 0.11 0.00 0.21 0.00 0.00 66.02 66.96 1sj6 s SER 8 CO 0.16 -1.37 0.13 0.28 0.41 0.00 0.00 173.24 172.85 1sj6 s THR 9 N -3.70 2.10 0.38 1.44 -1.32 -1.26 -2.15 115.64 111.14 1sj6 s THR 9 Ca 0.13 -2.52 0.05 0.00 -1.21 0.00 0.00 61.69 58.14 1sj6 s THR 9 Cb -0.05 -2.52 0.27 0.00 -1.51 0.00 0.00 72.50 68.69 1sj6 s THR 9 CO 0.08 -0.69 2.02 0.77 -2.21 0.00 0.00 174.62 174.59 1sj6 h SER 10 N 7.27 0.61 0.20 8.08 4.64 -1.92 -2.11 113.55 130.32 1sj6 h SER 10 Ca -0.06 -0.01 -0.21 0.00 -0.47 0.00 0.00 61.79 61.03 1sj6 h SER 10 Cb 0.97 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1sj6 h SER 10 CO 0.56 0.43 -0.85 0.58 -0.87 0.00 0.00 176.83 176.68 1sj6 h VAL 11 N 0.71 1.36 -1.60 0.95 2.07 -1.93 -3.49 116.25 114.32 1sj6 h VAL 11 Ca 0.21 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1sj6 h VAL 11 Cb -0.01 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1sj6 h VAL 11 CO -0.05 0.68 0.00 0.35 0.02 0.00 0.00 177.57 178.57 1sj6 n THR 12 N -3.82 0.00 0.00 2.57 -2.24 -0.80 -4.99 114.28 105.01 1sj6 n THR 12 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1sj6 n THR 12 Cb 0.78 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1sj6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sj6 n GLY 13 N 0.00 -0.19 0.00 3.38 0.00 -1.26 -5.12 105.19 102.00 1sj6 n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sj6 n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sj6 n SER 14 N -1.83 0.00 -0.00 1.61 7.64 -1.26 -5.04 113.62 114.74 1sj6 n SER 14 Ca 0.00 -0.61 0.06 0.00 1.01 0.00 0.00 58.87 59.33 1sj6 n SER 14 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1sj6 n SER 14 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sj6 n ARG 15 N -0.61 1.96 -0.11 1.43 1.74 -1.26 -4.49 116.66 115.33 1sj6 n ARG 15 Ca 0.00 -0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.92 1sj6 n ARG 15 Cb 0.00 -1.16 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 1sj6 n ARG 15 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1sj6 n GLU 16 N -1.55 0.70 -0.01 5.56 0.28 -1.26 -4.20 120.64 120.16 1sj6 n GLU 16 Ca 0.00 0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.09 1sj6 n GLU 16 Cb 0.24 -1.52 0.45 0.00 1.43 0.00 0.00 31.44 32.05 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1sj6 h ILE 17 N 0.00 1.05 -0.08 3.84 1.08 -1.98 -1.49 117.51 119.93 1sj6 h ILE 17 Ca -0.55 -0.17 -0.18 0.00 -0.39 0.00 0.00 64.86 63.57 1sj6 h ILE 17 Cb 2.16 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.42 1sj6 h ILE 17 CO 0.00 0.09 -0.70 0.11 -0.69 0.00 0.00 178.15 176.96 1sj6 h LYS 18 N 0.49 0.39 0.00 2.37 1.57 -1.79 -3.07 116.57 116.53 1sj6 h LYS 18 Ca 0.17 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1sj6 h LYS 18 Cb 0.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1sj6 h LYS 18 CO -0.04 0.94 -0.23 0.77 -0.57 0.00 0.00 179.45 180.32 1sj6 h SER 19 N 0.27 0.00 -0.62 0.86 0.02 -1.45 -2.61 113.55 110.01 1sj6 h SER 19 Ca -0.03 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1sj6 h SER 19 Cb 1.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 1sj6 h SER 19 CO 0.12 0.23 0.41 1.56 -1.14 0.00 0.00 176.83 178.01 1sj6 h GLN 20 N 0.00 0.81 -0.04 3.45 1.08 -1.36 -2.04 115.11 117.01 1sj6 h GLN 20 Ca -0.00 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 1sj6 h GLN 20 Cb 0.42 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1sj6 h GLN 20 CO 0.03 0.54 -0.66 1.96 -0.95 0.00 0.00 178.83 179.75 1sj6 h GLN 21 N 0.83 0.15 -0.73 1.46 4.20 -1.59 -2.69 115.11 116.76 1sj6 h GLN 21 Ca 0.23 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1sj6 h GLN 21 Cb -0.08 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1sj6 h GLN 21 CO -0.06 0.76 0.34 1.03 -0.67 0.00 0.00 178.83 180.23 1sj6 h SER 22 N 0.11 0.94 0.07 1.46 0.87 -1.06 0.63 113.55 116.57 1sj6 h SER 22 Ca -0.01 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1sj6 h SER 22 Cb 1.18 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1sj6 h SER 22 CO 0.10 0.81 -0.03 -0.08 -0.53 0.00 0.00 176.83 177.09 1sj6 h GLU 23 N 1.03 -0.09 -0.56 2.24 4.57 -1.33 0.02 114.58 120.46 1sj6 h GLU 23 Ca 0.25 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.49 1sj6 h GLU 23 Cb 0.12 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1sj6 h GLU 23 CO -0.03 0.49 0.37 0.28 -1.18 0.00 0.00 179.01 178.95 1sj6 h VAL 24 N -0.80 1.02 0.04 0.32 2.07 -1.43 -0.81 116.25 116.67 1sj6 h VAL 24 Ca -0.01 -0.20 -0.24 0.00 0.82 0.00 0.00 66.70 67.08 1sj6 h VAL 24 Cb 0.62 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1sj6 h VAL 24 CO 0.01 0.10 -1.13 0.71 0.02 0.00 0.00 177.57 177.29 1sj6 h THR 25 N 0.57 1.59 -0.17 2.57 1.35 -0.92 -2.68 112.91 115.22 1sj6 h THR 25 Ca 0.24 -3.26 -0.02 0.00 -0.55 0.00 0.00 66.41 62.81 1sj6 h THR 25 Cb 0.22 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.49 1sj6 h THR 25 CO -0.07 0.92 0.01 0.03 -0.25 0.00 0.00 175.52 176.17 1sj6 h ARG 26 N 0.02 0.29 -0.17 4.72 3.08 0.08 0.49 114.38 122.90 1sj6 h ARG 26 Ca -0.07 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.75 1sj6 h ARG 26 Cb 1.85 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.86 1sj6 h ARG 26 CO 0.15 0.49 -0.50 0.82 -1.07 0.00 0.00 179.97 179.87 1sj6 h ILE 27 N 0.05 1.33 -0.08 2.04 2.04 -1.30 -1.76 117.51 119.83 1sj6 h ILE 27 Ca 0.05 -1.72 -0.20 0.00 1.00 0.00 0.00 64.86 63.99 1sj6 h ILE 27 Cb 0.35 1.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1sj6 h ILE 27 CO 0.01 0.53 -0.73 -0.07 0.00 0.00 0.00 178.15 177.89 1sj6 h LEU 28 N 0.35 0.78 -0.13 1.44 3.38 -1.39 -2.91 115.31 116.83 1sj6 h LEU 28 Ca 0.02 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 1sj6 h LEU 28 Cb 1.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1sj6 h LEU 28 CO 0.09 1.34 0.05 -0.78 0.09 0.00 0.00 178.44 179.22 1sj6 h ASP 29 N 0.28 0.19 -0.56 -0.43 1.82 0.01 -2.78 116.42 114.95 1sj6 h ASP 29 Ca -0.07 -0.19 0.04 0.00 -0.39 0.00 0.00 57.03 56.43 1sj6 h ASP 29 Cb 1.38 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 41.31 1sj6 h ASP 29 CO 0.15 0.33 0.37 1.23 -1.61 0.00 0.00 179.24 179.71 1sj6 h GLY 30 N 0.04 0.70 2.00 -0.78 0.00 -1.40 0.65 103.07 104.28 1sj6 h GLY 30 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1sj6 h GLY 30 CO -0.00 0.19 0.00 0.28 0.00 0.00 0.00 176.54 177.01 1sj6 n LYS 31 N -4.47 0.06 -3.10 4.80 5.02 -1.07 -4.90 118.16 114.50 1sj6 n LYS 31 Ca 0.07 0.22 -0.14 0.00 -2.02 0.00 0.00 58.31 56.45 1sj6 n LYS 31 Cb 0.18 -1.60 0.05 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.71 -4.72 -3.44 1.97 0.00 0.22 -5.02 116.66 103.96 1sj6 n ARG 32 Ca 0.04 0.52 -0.24 0.00 -0.00 0.00 0.00 57.85 58.17 1sj6 n ARG 32 Cb 0.24 -4.61 -0.01 0.00 0.00 0.00 0.00 32.46 28.08 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 -3.21 5.12 -0.42 5.15 1.01 -1.07 -5.02 121.20 122.76 1sj6 s ILE 33 Ca 0.26 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1sj6 s ILE 33 Cb -0.11 -3.86 0.46 0.00 0.01 0.00 0.00 42.46 38.96 1sj6 s ILE 33 CO 0.45 -0.53 1.47 0.00 0.00 0.00 0.00 174.94 176.34 1sj6 n GLN 34 N -1.71 3.31 -1.17 2.79 1.13 -1.26 -4.85 117.38 115.62 1sj6 n GLN 34 Ca -0.05 -3.88 -0.33 0.00 -1.94 0.00 0.00 57.00 50.79 1sj6 n GLN 34 Cb 0.56 -2.28 0.12 0.00 0.11 0.00 0.00 30.24 28.75 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 -3.68 1.87 0.78 1.08 1.13 -1.26 -4.82 117.35 112.46 1sj6 s TYR 35 Ca 0.56 1.66 -0.07 0.00 -1.41 0.00 0.00 57.07 57.81 1sj6 s TYR 35 Cb 0.44 -3.46 0.13 0.00 -1.10 0.00 0.00 41.96 37.97 1sj6 s TYR 35 CO 0.02 -2.77 1.09 -1.14 -2.51 0.00 0.00 175.55 170.25 1sj6 s GLN 36 N -4.13 1.52 -0.39 -3.49 2.00 0.18 -4.94 119.66 110.41 1sj6 s GLN 36 Ca 0.73 -0.67 0.03 0.00 -2.00 0.00 0.00 55.36 53.45 1sj6 s GLN 36 Cb -0.28 -2.15 0.16 0.00 0.80 0.00 0.00 33.01 31.54 1sj6 s GLN 36 CO 0.50 -1.67 0.33 -1.17 -0.50 0.00 0.00 175.29 172.78 1sj6 s LEU 37 N -5.39 0.73 -1.30 3.68 2.96 -1.26 -3.05 118.68 115.06 1sj6 s LEU 37 Ca 0.67 -2.34 -0.18 0.00 -0.22 0.00 0.00 54.13 52.06 1sj6 s LEU 37 Cb -0.06 -0.04 0.06 0.00 0.50 0.00 0.00 46.19 46.64 1sj6 s LEU 37 CO 0.47 -0.23 1.77 1.33 -1.32 0.00 0.00 176.35 178.37 1sj6 n VAL 38 N 3.59 3.79 -2.58 1.68 0.24 0.83 -4.89 118.33 120.99 1sj6 n VAL 38 Ca 0.19 -3.92 -0.43 0.00 -2.04 0.00 0.00 64.34 58.14 1sj6 n VAL 38 Cb 0.44 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.44 1sj6 n VAL 38 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1sj6 s ASP 39 N 4.34 6.87 0.49 -1.34 1.11 -1.26 -3.22 116.67 123.65 1sj6 s ASP 39 Ca 0.55 1.09 0.28 0.00 0.18 0.00 0.00 52.55 54.65 1sj6 s ASP 39 Cb 0.04 -2.54 1.05 0.00 1.07 0.00 0.00 42.92 42.54 1sj6 s ASP 39 CO 0.08 -0.93 1.87 0.16 1.18 0.00 0.00 175.17 177.53 1sj6 h ILE 40 N 5.79 0.27 -0.13 0.77 3.07 -1.74 -2.95 117.51 122.58 1sj6 h ILE 40 Ca -0.22 -0.86 0.04 0.00 1.55 0.00 0.00 64.86 65.36 1sj6 h ILE 40 Cb 1.07 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 39.30 1sj6 h ILE 40 CO 1.03 0.11 0.13 0.28 -1.05 0.00 0.00 178.15 178.66 1sj6 h SER 41 N 0.00 0.00 0.28 2.16 0.02 -1.91 -2.95 113.55 111.14 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 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1sj6 h SER 41 CO 0.01 0.00 -0.13 -0.61 -1.14 0.00 0.00 176.83 174.96 1sj6 h GLN 42 N 0.00 -0.36 -6.54 3.45 4.15 -1.87 -3.46 115.11 110.49 1sj6 h GLN 42 Ca 0.06 0.02 -0.64 0.00 0.77 0.00 0.00 58.65 58.86 1sj6 h GLN 42 Cb 0.33 0.08 -0.16 0.00 0.21 0.00 0.00 27.48 27.94 1sj6 h GLN 42 CO -0.00 -0.24 -0.77 -0.51 -1.93 0.00 0.00 178.83 175.38 1sj6 s ASP 43 N -2.55 3.91 0.46 -0.69 1.01 -1.12 -5.02 116.67 112.68 1sj6 s ASP 43 Ca -0.05 -0.68 0.26 0.00 0.71 0.00 0.00 52.55 52.79 1sj6 s ASP 43 Cb 0.01 -0.53 0.84 0.00 1.01 0.00 0.00 42.92 44.24 1sj6 s ASP 43 CO 0.16 0.12 1.79 -1.13 0.21 0.00 0.00 175.17 176.32 1sj6 h ASN 44 N 3.12 0.00 -0.06 0.27 -1.24 -1.88 -3.10 115.58 112.68 1sj6 h ASN 44 Ca -0.47 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.49 1sj6 h ASN 44 Cb 1.20 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 1sj6 h ASN 44 CO 0.51 0.12 -0.10 0.00 -1.29 0.00 0.00 177.43 176.66 1sj6 h ALA 45 N 1.88 1.41 -0.48 1.57 0.00 -1.95 -2.46 119.26 119.23 1sj6 h ALA 45 Ca -0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1sj6 h ALA 45 Cb 0.80 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1sj6 h ALA 45 CO 0.02 0.41 -0.12 -0.07 0.00 0.00 0.00 179.25 179.48 1sj6 h LEU 46 N 0.34 0.89 -0.24 0.00 -0.00 -1.81 0.57 115.31 115.06 1sj6 h LEU 46 Ca 0.07 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1sj6 h LEU 46 Cb 0.40 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1sj6 h LEU 46 CO 0.02 1.02 0.15 0.03 -0.00 0.00 0.00 178.44 179.66 1sj6 h ARG 47 N 0.80 0.31 -0.01 1.13 3.08 -1.56 0.42 114.38 118.55 1sj6 h ARG 47 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1sj6 h ARG 47 Cb 0.64 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1sj6 h ARG 47 CO 0.04 0.23 0.00 -3.47 -1.07 0.00 0.00 179.97 175.70 1sj6 n ASP 48 N -4.91 0.73 -0.10 7.04 2.03 -1.08 -2.61 116.55 117.65 1sj6 n ASP 48 Ca -0.03 -1.25 -0.11 0.00 0.52 0.00 0.00 54.79 53.92 1sj6 n ASP 48 Cb 0.04 -0.00 -0.15 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 -0.42 0.74 0.03 -0.67 2.13 0.18 -4.01 120.64 118.61 1sj6 n GLU 49 Ca 0.21 0.01 -0.20 0.00 0.66 0.00 0.00 57.16 57.85 1sj6 n GLU 49 Cb 0.23 -1.51 -0.14 0.00 0.27 0.00 0.00 31.44 30.29 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 0.26 -0.50 5.31 4.05 -0.21 -2.85 114.93 120.99 1sj6 h MET 50 Ca -0.54 -0.44 0.02 0.00 -0.28 0.00 0.00 59.70 58.46 1sj6 h MET 50 Cb 2.18 0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 33.12 1sj6 h MET 50 CO 0.01 1.21 0.33 0.00 0.23 0.00 0.00 176.91 178.70 1sj6 h ARG 51 N -0.42 0.59 0.16 0.39 -0.00 -1.72 0.83 114.38 114.21 1sj6 h ARG 51 Ca -0.17 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.27 1sj6 h ARG 51 Cb 1.61 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 31.45 1sj6 h ARG 51 CO 0.11 0.39 -0.08 0.00 0.00 0.00 0.00 179.97 180.40 1sj6 h ALA 52 N 1.70 -0.22 0.00 0.04 0.00 -1.70 -1.85 119.26 117.23 1sj6 h ALA 52 Ca 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1sj6 h ALA 52 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sj6 h ALA 52 CO -0.05 -0.31 -0.30 1.37 0.00 0.00 0.00 179.25 179.96 1sj6 h LEU 53 N -0.86 0.00 -0.12 0.00 8.10 -1.31 -2.33 115.31 118.80 1sj6 h LEU 53 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1sj6 h LEU 53 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.74 1sj6 h LEU 53 CO 0.04 0.30 0.00 0.00 -4.11 0.00 0.00 178.44 174.67 1sj6 h ALA 54 N 1.70 1.00 -5.78 0.17 0.00 0.63 -3.46 119.26 113.51 1sj6 h ALA 54 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 1sj6 h ALA 54 Cb 0.59 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.52 1sj6 h ALA 54 CO 0.04 0.00 -0.76 0.41 0.00 0.00 0.00 179.25 178.94 1sj6 n GLY 55 N 1.04 -0.39 3.17 0.00 0.00 -0.72 -4.98 105.19 103.31 1sj6 n GLY 55 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.11 -0.13 -0.12 1.61 2.47 -1.07 -5.03 114.94 108.57 1sj6 s ASN 56 Ca 0.15 0.12 0.03 0.00 0.42 0.00 0.00 52.86 53.58 1sj6 s ASN 56 Cb -0.07 1.13 0.26 0.00 -1.45 0.00 0.00 41.25 41.12 1sj6 s ASN 56 CO 0.75 -0.03 1.12 -0.81 -3.72 0.00 0.00 177.10 174.41 1sj6 n PRO 57 N 5.17 1.95 0.00 0.43 -0.05 -1.26 -3.37 135.00 137.86 1sj6 n PRO 57 Ca -0.08 -1.08 0.00 0.00 -0.05 0.00 0.00 63.50 62.28 1sj6 n PRO 57 Cb 0.55 -1.61 0.00 0.00 -0.05 0.00 0.00 33.50 32.39 1sj6 n PRO 57 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1sj6 n LYS 58 N 0.08 -0.28 0.00 0.54 4.81 -1.26 -5.08 118.16 116.98 1sj6 n LYS 58 Ca 0.15 -0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 1sj6 n LYS 58 Cb 0.74 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 35.01 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sj6 n ALA 59 N -0.03 0.00 -2.29 3.14 0.00 -1.22 -5.08 120.51 115.04 1sj6 n ALA 59 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1sj6 n ALA 59 Cb 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.33 0.17 0.20 0.00 -4.23 -1.26 -5.07 115.64 105.13 1sj6 s THR 60 Ca 0.00 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 58.80 1sj6 s THR 60 Cb 0.00 -1.53 0.19 0.00 1.34 0.00 0.00 72.50 72.50 1sj6 s THR 60 CO 0.00 -0.78 1.66 -0.65 -0.54 0.00 0.00 174.62 174.30 1sj6 h PRO 61 N 2.95 0.07 -5.75 3.99 0.11 -1.91 -3.36 132.00 128.10 1sj6 h PRO 61 Ca -0.34 -0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.44 1sj6 h PRO 61 Cb 1.17 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1sj6 h PRO 61 CO 0.61 0.05 0.87 -1.25 -0.21 0.00 0.00 178.00 178.07 1sj6 s PRO 62 N -6.18 2.47 -0.15 1.05 0.04 -1.21 -2.26 135.00 128.76 1sj6 s PRO 62 Ca -0.14 0.08 -0.04 0.00 0.04 0.00 0.00 61.00 60.94 1sj6 s PRO 62 Cb 0.18 -4.84 0.07 0.00 0.04 0.00 0.00 34.50 29.94 1sj6 s PRO 62 CO 0.73 -3.30 0.16 -0.65 0.04 0.00 0.00 177.00 173.99 1sj6 s GLN 63 N 7.23 0.09 0.04 4.56 -1.52 -1.12 -3.30 119.66 125.64 1sj6 s GLN 63 Ca 0.72 0.27 -0.23 0.00 -1.95 0.00 0.00 55.36 54.17 1sj6 s GLN 63 Cb -0.09 -1.00 -0.06 0.00 -0.22 0.00 0.00 33.01 31.65 1sj6 s GLN 63 CO 0.07 -0.52 0.70 0.42 -0.25 0.00 0.00 175.29 175.70 1sj6 s ILE 64 N 2.26 4.76 -0.03 1.08 1.09 0.74 0.14 121.20 131.24 1sj6 s ILE 64 Ca 0.04 1.48 0.05 0.00 -1.10 0.00 0.00 60.65 61.13 1sj6 s ILE 64 Cb -0.14 -4.04 -0.01 0.00 -1.06 0.00 0.00 42.46 37.20 1sj6 s ILE 64 CO -0.09 0.41 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.27 1sj6 s VAL 65 N -0.26 1.59 -1.20 2.92 1.01 -0.95 -3.02 120.40 120.51 1sj6 s VAL 65 Ca 0.35 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1sj6 s VAL 65 Cb -0.20 -1.34 0.22 0.00 0.00 0.00 0.00 36.38 35.06 1sj6 s VAL 65 CO 0.21 0.45 1.83 -3.20 0.00 0.00 0.00 175.10 174.39 1sj6 n ASN 66 N 2.86 6.25 0.00 3.32 4.05 -1.18 -1.23 115.26 129.33 1sj6 n ASN 66 Ca -0.17 -3.28 0.00 0.00 0.45 0.00 0.00 54.58 51.58 1sj6 n ASN 66 Cb 0.53 -1.36 0.00 0.00 1.23 0.00 0.00 39.78 40.18 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 1.83 2.24 0.93 8.20 0.00 -1.26 -4.07 105.19 113.06 1sj6 n GLY 67 Ca 0.40 -0.44 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 3.48 -0.87 -4.27 1.61 2.03 -1.26 -4.93 116.55 112.33 1sj6 n ASP 68 Ca 0.00 -1.78 -0.20 0.00 0.52 0.00 0.00 54.79 53.34 1sj6 n ASP 68 Cb 0.00 0.26 -0.11 0.00 -0.72 0.00 0.00 41.12 40.55 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1sj6 s GLN 69 N 0.00 1.11 -0.83 -0.67 1.11 -1.26 -5.09 119.66 114.03 1sj6 s GLN 69 Ca 0.00 -1.29 -0.23 0.00 0.01 0.00 0.00 55.36 53.86 1sj6 s GLN 69 Cb 0.00 -1.07 0.07 0.00 -1.01 0.00 0.00 33.01 31.00 1sj6 s GLN 69 CO 0.00 0.21 1.19 -0.47 0.01 0.00 0.00 175.29 176.24 1sj6 s TYR 70 N -2.04 2.65 0.00 0.91 5.04 -1.26 -3.12 117.35 119.54 1sj6 s TYR 70 Ca 0.11 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 1sj6 s TYR 70 Cb -0.06 -4.47 0.00 0.00 0.35 0.00 0.00 41.96 37.79 1sj6 s TYR 70 CO 0.04 -1.78 0.00 0.00 -1.34 0.00 0.00 175.55 172.47 1sj6 n GLY 72 N 2.84 1.80 0.00 0.00 0.00 -1.17 -5.03 105.19 103.63 1sj6 n GLY 72 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.55 1.95 -0.31 1.61 5.68 -1.26 -0.18 116.55 122.49 1sj6 n ASP 73 Ca -0.03 -0.26 0.12 0.00 -0.50 0.00 0.00 54.79 54.11 1sj6 n ASP 73 Cb 0.41 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.68 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 0.25 0.74 0.20 2.11 5.03 -1.92 -1.40 116.97 121.98 1sj6 h TYR 74 Ca 0.00 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1sj6 h TYR 74 Cb 0.00 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.10 1sj6 h TYR 74 CO 0.00 0.05 -0.10 1.49 -1.32 0.00 0.00 178.16 178.28 1sj6 h GLU 75 N 0.50 -0.26 0.09 1.82 4.22 -1.95 -2.27 114.58 116.74 1sj6 h GLU 75 Ca 0.54 0.02 0.00 0.00 0.08 0.00 0.00 59.36 60.00 1sj6 h GLU 75 Cb 0.94 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1sj6 h GLU 75 CO -0.46 -0.01 -0.19 1.25 -2.18 0.00 0.00 179.01 177.41 1sj6 h LEU 76 N -0.48 -0.56 -0.38 1.64 7.12 -1.65 1.10 115.31 122.10 1sj6 h LEU 76 Ca -0.03 0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.10 1sj6 h LEU 76 Cb 0.37 0.20 -0.09 0.00 -0.53 0.00 0.00 40.66 40.61 1sj6 h LEU 76 CO 0.04 -0.22 -0.42 0.15 -0.13 0.00 0.00 178.44 177.87 1sj6 h PHE 77 N -0.31 -1.20 -0.45 1.25 3.04 -1.41 -0.36 116.94 117.50 1sj6 h PHE 77 Ca -0.01 0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 1sj6 h PHE 77 Cb 0.29 0.58 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 1sj6 h PHE 77 CO -0.28 -0.44 0.12 0.28 -2.02 0.00 0.00 178.31 175.97 1sj6 h VAL 78 N -0.34 1.19 0.00 1.41 2.07 -1.32 -1.64 116.25 117.63 1sj6 h VAL 78 Ca 0.14 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1sj6 h VAL 78 Cb 0.58 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1sj6 h VAL 78 CO -0.55 0.25 0.00 1.21 0.02 0.00 0.00 177.57 178.50 1sj6 n GLU 79 N -4.31 0.01 -0.08 1.57 2.13 0.38 -3.05 120.64 117.28 1sj6 n GLU 79 Ca 0.03 0.22 -0.08 0.00 0.66 0.00 0.00 57.16 58.00 1sj6 n GLU 79 Cb 0.20 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 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 -1.49 0.65 -0.18 4.31 0.00 -0.36 -4.30 120.51 119.14 1sj6 n ALA 80 Ca 0.04 -0.59 0.28 0.00 0.00 0.00 0.00 53.44 53.17 1sj6 n ALA 80 Cb 0.19 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.36 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 0.55 -0.29 0.00 2.07 -1.58 0.94 116.25 116.94 1sj6 h VAL 81 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1sj6 h VAL 81 Cb 0.76 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1sj6 h VAL 81 CO -0.02 0.00 0.15 1.05 0.02 0.00 0.00 177.57 178.77 1sj6 h GLU 82 N 0.00 0.31 -0.70 1.57 4.11 -1.74 -2.56 114.58 115.57 1sj6 h GLU 82 Ca 0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1sj6 h GLU 82 Cb 1.70 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1sj6 h GLU 82 CO -0.00 0.21 0.00 0.94 0.07 0.00 0.00 179.01 180.22 1sj6 n GLN 83 N -4.95 2.71 -1.15 1.06 0.00 -0.38 -4.90 117.38 109.77 1sj6 n GLN 83 Ca -0.01 -2.63 -0.05 0.00 -0.00 0.00 0.00 57.00 54.31 1sj6 n GLN 83 Cb 0.06 -1.57 -0.02 0.00 0.00 0.00 0.00 30.24 28.71 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 1.65 -3.63 0.12 1.69 5.15 -0.04 -4.90 115.26 115.30 1sj6 n ASN 84 Ca 0.24 0.13 0.12 0.00 -0.60 0.00 0.00 54.58 54.47 1sj6 n ASN 84 Cb 0.62 -1.58 0.25 0.00 -0.53 0.00 0.00 39.78 38.55 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1sj6 h THR 85 N 0.00 0.00 -0.69 -0.44 2.02 0.57 -3.37 112.91 111.00 1sj6 h THR 85 Ca -0.10 -0.64 0.26 0.00 0.77 0.00 0.00 66.41 66.70 1sj6 h THR 85 Cb 0.34 1.48 -0.10 0.00 -1.74 0.00 0.00 68.15 68.13 1sj6 h THR 85 CO 0.15 0.00 0.41 -0.11 0.37 0.00 0.00 175.52 176.34 1sj6 n LEU 86 N -2.44 0.17 -0.04 2.58 7.94 -1.01 0.12 117.00 124.31 1sj6 n LEU 86 Ca 0.04 0.90 -0.08 0.00 -1.11 0.00 0.00 56.01 55.76 1sj6 n LEU 86 Cb 0.47 -0.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.96 1sj6 n LEU 86 CO 0.34 -1.00 0.71 -0.61 -1.11 0.00 0.00 177.39 175.72 1sj6 h GLN 87 N 0.00 -0.21 -0.42 1.96 4.15 -1.91 0.44 115.11 119.12 1sj6 h GLN 87 Ca 0.51 0.01 0.12 0.00 0.77 0.00 0.00 58.65 60.07 1sj6 h GLN 87 Cb 1.49 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.21 1sj6 h GLN 87 CO -0.37 -0.14 0.68 0.93 -1.93 0.00 0.00 178.83 178.00 1sj6 h GLU 88 N -0.22 0.00 0.00 1.69 3.07 0.56 1.31 114.58 120.99 1sj6 h GLU 88 Ca 0.13 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.80 1sj6 h GLU 88 Cb 0.42 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 1sj6 h GLU 88 CO -0.36 0.00 -2.19 0.34 -1.40 0.00 0.00 179.01 175.40 1sj6 n PHE 89 N -3.25 0.00 -0.06 4.33 7.35 0.86 -3.84 117.46 122.85 1sj6 n PHE 89 Ca 0.08 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.71 1sj6 n PHE 89 Cb 0.84 -0.75 -0.02 0.00 0.35 0.00 0.00 39.48 39.90 1sj6 n PHE 89 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1sj6 n LEU 90 N -2.51 1.27 -0.35 -2.13 7.99 0.24 -4.71 117.00 116.81 1sj6 n LEU 90 Ca -0.19 0.22 0.11 0.00 -0.01 0.00 0.00 56.01 56.14 1sj6 n LEU 90 Cb 0.87 -0.65 0.08 0.00 -0.11 0.00 0.00 43.42 43.61 1sj6 n LEU 90 CO 0.44 -0.35 0.35 0.29 -1.51 0.00 0.00 177.39 176.61 1sj6 n LYS 91 N -3.79 0.90 -2.07 3.23 5.02 0.27 -4.95 118.16 116.78 1sj6 n LYS 91 Ca -0.09 -0.70 -0.10 0.00 -2.02 0.00 0.00 58.31 55.40 1sj6 n LYS 91 Cb 0.34 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.44 -0.83 -2.30 -0.35 7.99 0.38 -0.64 117.00 120.81 1sj6 n LEU 92 Ca 0.09 0.25 -0.11 0.00 -0.01 0.00 0.00 56.01 56.24 1sj6 n LEU 92 Cb 0.42 -1.79 -0.01 0.00 -0.11 0.00 0.00 43.42 41.92 1sj6 n LEU 92 CO 0.30 -0.23 -0.13 0.00 -1.51 0.00 0.00 177.39 175.82 1sj6 n ALA 93 N -1.50 -0.73 -2.38 -1.18 0.00 -1.26 -4.82 120.51 108.65 1sj6 n ALA 93 Ca -0.11 0.10 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1sj6 n ALA 93 Cb 0.50 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1sj6 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sj6 s LEU 94 N -5.25 3.50 0.00 0.00 1.43 0.19 -5.13 118.68 113.42 1sj6 s LEU 94 Ca 0.00 -1.91 0.22 0.00 -1.03 0.00 0.00 54.13 51.40 1sj6 s LEU 94 Cb 0.00 -2.58 1.29 0.00 0.03 0.00 0.00 46.19 44.93 1sj6 s LEU 94 CO 0.00 -1.91 1.66 -0.62 0.23 0.00 0.00 176.35 175.71