#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 5.37 0.40 3.17 0.01 -1.26 -4.90 113.70 116.49 1sj6 s SER 2 Ca 0.00 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.17 1sj6 s SER 2 Cb 0.00 -1.47 0.06 0.00 0.21 0.00 0.00 66.02 64.82 1sj6 s SER 2 CO 0.00 0.27 0.80 -0.83 0.41 0.00 0.00 173.24 173.89 1sj6 s GLY 3 N -1.66 0.43 -0.28 3.44 0.00 -1.26 -4.97 107.32 103.01 1sj6 s GLY 3 Ca 0.21 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 44.09 1sj6 s GLY 3 CO 0.12 -0.33 0.13 1.08 0.00 0.00 0.00 173.10 174.10 1sj6 s LEU 4 N -3.09 0.61 -0.80 0.66 1.43 -1.26 -2.29 118.68 113.94 1sj6 s LEU 4 Ca 0.16 -1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 51.83 1sj6 s LEU 4 Cb -0.05 -0.37 0.17 0.00 0.03 0.00 0.00 46.19 45.97 1sj6 s LEU 4 CO 0.12 -0.43 0.85 -0.13 0.23 0.00 0.00 176.35 176.99 1sj6 s ARG 5 N 2.08 3.47 -0.35 1.70 0.52 -0.15 0.11 118.95 126.32 1sj6 s ARG 5 Ca 0.09 -2.01 -0.23 0.00 -0.52 0.00 0.00 55.73 53.05 1sj6 s ARG 5 Cb -0.16 -4.54 0.01 0.00 0.52 0.00 0.00 34.95 30.78 1sj6 s ARG 5 CO -0.35 -1.48 0.80 0.08 0.02 0.00 0.00 175.30 174.37 1sj6 s VAL 6 N 1.45 4.74 0.35 3.52 1.01 -1.20 -2.03 120.40 128.23 1sj6 s VAL 6 Ca 0.20 0.99 -0.25 0.00 0.00 0.00 0.00 61.98 62.93 1sj6 s VAL 6 Cb -0.12 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1sj6 s VAL 6 CO -0.06 -0.39 0.95 -0.31 0.00 0.00 0.00 175.10 175.29 1sj6 s TYR 7 N 3.09 3.60 0.34 5.22 2.02 0.17 -0.50 117.35 131.31 1sj6 s TYR 7 Ca 0.32 1.74 -0.11 0.00 -0.37 0.00 0.00 57.07 58.65 1sj6 s TYR 7 Cb -0.13 -2.91 0.03 0.00 -0.40 0.00 0.00 41.96 38.55 1sj6 s TYR 7 CO 0.16 0.13 0.63 -1.12 -1.57 0.00 0.00 175.55 173.78 1sj6 s SER 8 N -1.75 0.30 -0.28 2.29 0.01 -1.04 -2.94 113.70 110.30 1sj6 s SER 8 Ca 0.53 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1sj6 s SER 8 Cb -0.16 0.74 0.08 0.00 0.21 0.00 0.00 66.02 66.89 1sj6 s SER 8 CO 0.21 -1.45 0.01 0.28 0.41 0.00 0.00 173.24 172.70 1sj6 s THR 9 N -2.92 1.51 0.25 1.44 -1.32 -1.26 -2.34 115.64 111.00 1sj6 s THR 9 Ca 0.21 -1.50 -0.05 0.00 -1.21 0.00 0.00 61.69 59.15 1sj6 s THR 9 Cb -0.03 -1.95 0.24 0.00 -1.51 0.00 0.00 72.50 69.26 1sj6 s THR 9 CO 0.14 -0.35 1.88 -1.28 -2.21 0.00 0.00 174.62 172.80 1sj6 h SER 10 N 7.92 0.98 -3.61 8.08 0.87 -1.94 -3.39 113.55 122.45 1sj6 h SER 10 Ca -0.14 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.81 1sj6 h SER 10 Cb 1.05 -0.21 -0.13 0.00 -0.44 0.00 0.00 62.40 62.67 1sj6 h SER 10 CO 0.45 0.65 -0.06 -0.69 -0.53 0.00 0.00 176.83 176.64 1sj6 s VAL 11 N -6.07 5.09 0.09 2.23 1.01 -1.26 -5.06 120.40 116.44 1sj6 s VAL 11 Ca -0.13 0.82 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 1sj6 s VAL 11 Cb 0.19 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1sj6 s VAL 11 CO 0.80 0.11 0.73 0.42 0.00 0.00 0.00 175.10 177.16 1sj6 s THR 12 N 2.22 4.59 0.00 3.92 -4.23 -1.26 -4.96 115.64 115.93 1sj6 s THR 12 Ca 0.20 1.58 0.00 0.00 -1.18 0.00 0.00 61.69 62.29 1sj6 s THR 12 Cb -0.16 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.60 1sj6 s THR 12 CO 0.09 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1sj6 n GLY 13 N 1.98 0.00 0.00 3.99 0.00 -1.26 -5.09 105.19 104.81 1sj6 n GLY 13 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.37 0.38 -0.00 1.61 7.64 -1.26 -5.05 113.62 114.57 1sj6 n SER 14 Ca 0.00 -0.40 0.06 0.00 1.01 0.00 0.00 58.87 59.53 1sj6 n SER 14 Cb 0.48 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.33 2.09 -0.10 1.43 1.74 -1.26 -4.51 116.66 115.72 1sj6 n ARG 15 Ca 0.00 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.92 1sj6 n ARG 15 Cb 0.00 -1.14 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 1sj6 n ARG 15 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sj6 n GLU 16 N -1.52 0.70 0.17 5.56 4.71 -1.26 -4.32 120.64 124.68 1sj6 n GLU 16 Ca 0.01 0.02 0.10 0.00 -0.01 0.00 0.00 57.16 57.27 1sj6 n GLU 16 Cb 0.23 -1.52 0.62 0.00 -1.01 0.00 0.00 31.44 29.76 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 0.96 -0.29 -3.67 1.08 -1.99 0.34 117.51 113.94 1sj6 h ILE 17 Ca -0.55 -0.03 -0.10 0.00 -0.39 0.00 0.00 64.86 63.79 1sj6 h ILE 17 Cb 2.18 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.79 1sj6 h ILE 17 CO 0.01 0.01 -0.26 0.11 -0.69 0.00 0.00 178.15 177.34 1sj6 h LYS 18 N 0.08 0.58 0.00 2.37 1.57 -1.79 -2.80 116.57 116.57 1sj6 h LYS 18 Ca 0.07 -0.23 -0.24 0.00 -1.87 0.00 0.00 60.65 58.39 1sj6 h LYS 18 Cb 0.20 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1sj6 h LYS 18 CO -0.01 0.78 -1.22 0.77 -0.57 0.00 0.00 179.45 179.21 1sj6 h SER 19 N 0.51 0.01 0.11 0.86 0.02 -1.42 -2.33 113.55 111.31 1sj6 h SER 19 Ca 0.07 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1sj6 h SER 19 Cb 0.71 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1sj6 h SER 19 CO 0.05 1.01 -0.16 1.56 -1.14 0.00 0.00 176.83 178.16 1sj6 h GLN 20 N 0.00 0.11 0.00 3.45 7.50 -0.85 -0.81 115.11 124.51 1sj6 h GLN 20 Ca -0.10 -0.02 -0.33 0.00 0.50 0.00 0.00 58.65 58.71 1sj6 h GLN 20 Cb 1.85 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 29.30 1sj6 h GLN 20 CO 0.12 0.27 -2.00 0.00 -1.50 0.00 0.00 178.83 175.72 1sj6 n GLN 21 N -4.30 0.66 0.04 1.46 10.64 -1.07 -3.91 117.38 120.90 1sj6 n GLN 21 Ca -0.02 0.17 -0.05 0.00 -1.83 0.00 0.00 57.00 55.28 1sj6 n GLN 21 Cb 0.25 -1.68 0.15 0.00 -0.86 0.00 0.00 30.24 28.11 1sj6 n GLN 21 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1sj6 h SER 22 N 0.00 0.43 0.43 2.61 4.64 -1.20 -2.05 113.55 118.41 1sj6 h SER 22 Ca -0.40 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 60.71 1sj6 h SER 22 Cb 2.11 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 1sj6 h SER 22 CO 0.06 0.81 -0.21 -0.08 -0.87 0.00 0.00 176.83 176.54 1sj6 h GLU 23 N 0.33 -0.56 -0.26 4.77 4.57 -1.32 0.24 114.58 122.35 1sj6 h GLU 23 Ca 0.03 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1sj6 h GLU 23 Cb 0.89 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1sj6 h GLU 23 CO 0.07 -0.25 0.18 0.28 -1.18 0.00 0.00 179.01 178.11 1sj6 h VAL 24 N -0.96 0.99 0.00 0.32 2.07 -1.67 -1.20 116.25 115.80 1sj6 h VAL 24 Ca -0.06 -0.08 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 1sj6 h VAL 24 Cb 0.57 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1sj6 h VAL 24 CO 0.10 0.04 -1.04 0.74 0.02 0.00 0.00 177.57 177.43 1sj6 h THR 25 N 0.22 1.59 -0.07 2.57 2.02 -1.33 -2.31 112.91 115.60 1sj6 h THR 25 Ca 0.11 -3.29 -0.02 0.00 0.77 0.00 0.00 66.41 63.98 1sj6 h THR 25 Cb 0.16 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1sj6 h THR 25 CO -0.02 0.90 -0.04 0.03 0.37 0.00 0.00 175.52 176.76 1sj6 h ARG 26 N 0.00 0.15 -0.03 6.66 3.08 0.63 -0.46 114.38 124.41 1sj6 h ARG 26 Ca -0.03 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1sj6 h ARG 26 Cb 1.77 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1sj6 h ARG 26 CO 0.12 0.55 -0.07 0.82 -1.07 0.00 0.00 179.97 180.31 1sj6 h ILE 27 N -0.26 1.45 -0.71 2.04 2.04 -1.44 0.54 117.51 121.17 1sj6 h ILE 27 Ca 0.01 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.45 1sj6 h ILE 27 Cb 0.51 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 1sj6 h ILE 27 CO 0.01 0.39 0.45 -0.07 0.00 0.00 0.00 178.15 178.93 1sj6 h LEU 28 N -0.45 0.74 0.08 1.44 3.38 -1.51 -0.99 115.31 118.00 1sj6 h LEU 28 Ca -0.00 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 1sj6 h LEU 28 Cb 0.67 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.28 1sj6 h LEU 28 CO 0.02 0.52 -1.11 -0.78 0.09 0.00 0.00 178.44 177.17 1sj6 h ASP 29 N 0.88 0.84 -0.15 -0.43 1.82 -1.12 -2.85 116.42 115.41 1sj6 h ASP 29 Ca 0.28 -0.80 0.04 0.00 -0.39 0.00 0.00 57.03 56.16 1sj6 h ASP 29 Cb -0.00 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.74 1sj6 h ASP 29 CO -0.10 1.55 0.12 1.23 -1.61 0.00 0.00 179.24 180.43 1sj6 h GLY 30 N 0.24 0.00 0.79 -0.78 0.00 0.37 0.21 103.07 103.90 1sj6 h GLY 30 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1sj6 h GLY 30 CO 0.22 0.00 -0.10 0.28 0.00 0.00 0.00 176.54 176.94 1sj6 n LYS 31 N -4.33 0.79 -3.34 4.80 5.02 -0.40 -4.93 118.16 115.77 1sj6 n LYS 31 Ca 0.01 -0.28 -0.18 0.00 -2.02 0.00 0.00 58.31 55.84 1sj6 n LYS 31 Cb 0.24 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.86 -6.30 -2.88 1.97 3.00 0.73 -5.00 116.66 107.31 1sj6 n ARG 32 Ca 0.15 0.72 -0.27 0.00 -0.01 0.00 0.00 57.85 58.45 1sj6 n ARG 32 Cb 0.27 -5.41 -0.01 0.00 0.00 0.00 0.00 32.46 27.31 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 -3.29 4.96 -0.45 0.55 1.01 -1.08 -4.99 121.20 117.90 1sj6 s ILE 33 Ca 0.25 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1sj6 s ILE 33 Cb -0.11 -3.85 0.61 0.00 0.01 0.00 0.00 42.46 39.13 1sj6 s ILE 33 CO 0.63 -0.72 1.90 0.00 0.00 0.00 0.00 174.94 176.74 1sj6 n GLN 34 N -1.99 2.24 -1.88 2.79 0.00 -1.26 -4.88 117.38 112.41 1sj6 n GLN 34 Ca -0.01 -2.90 -0.37 0.00 0.00 0.00 0.00 57.00 53.72 1sj6 n GLN 34 Cb 0.55 -2.14 0.04 0.00 0.00 0.00 0.00 30.24 28.70 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 -3.21 2.29 0.98 2.61 1.13 -1.26 -4.88 117.35 115.01 1sj6 s TYR 35 Ca 0.55 1.46 -0.17 0.00 -1.41 0.00 0.00 57.07 57.51 1sj6 s TYR 35 Cb 0.46 -3.64 0.23 0.00 -1.10 0.00 0.00 41.96 37.90 1sj6 s TYR 35 CO 0.09 -2.60 1.33 0.94 -2.51 0.00 0.00 175.55 172.80 1sj6 n GLN 36 N -1.43 -1.30 -3.24 -3.49 -0.06 0.29 -4.96 117.38 103.19 1sj6 n GLN 36 Ca 0.13 -2.06 -0.22 0.00 -2.00 0.00 0.00 57.00 52.85 1sj6 n GLN 36 Cb 0.48 -1.37 -0.07 0.00 -4.06 0.00 0.00 30.24 25.21 1sj6 n GLN 36 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1sj6 n LEU 37 N 0.00 -1.18 -4.52 1.69 0.00 -1.26 -3.26 117.00 108.48 1sj6 n LEU 37 Ca 0.17 -4.04 -0.42 0.00 0.00 0.00 0.00 56.01 51.72 1sj6 n LEU 37 Cb 0.58 0.60 -0.00 0.00 0.00 0.00 0.00 43.42 44.59 1sj6 n LEU 37 CO 0.42 1.88 2.00 1.33 0.00 0.00 0.00 177.39 183.02 1sj6 n VAL 38 N 2.84 3.77 -2.59 1.96 0.24 0.35 -4.91 118.33 119.99 1sj6 n VAL 38 Ca 0.27 -3.88 -0.43 0.00 -2.04 0.00 0.00 64.34 58.26 1sj6 n VAL 38 Cb 0.50 -2.35 -0.02 0.00 -1.47 0.00 0.00 33.84 30.49 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 6.91 0.00 -1.34 -1.08 -1.26 -3.25 116.67 120.96 1sj6 s ASP 39 Ca 0.55 1.16 0.30 0.00 -0.52 0.00 0.00 52.55 54.04 1sj6 s ASP 39 Cb 0.04 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.60 1sj6 s ASP 39 CO 0.07 -0.88 2.07 2.30 0.52 0.00 0.00 175.17 179.26 1sj6 n ILE 40 N 5.83 0.03 -1.52 4.11 -5.35 -0.99 -4.23 119.36 117.23 1sj6 n ILE 40 Ca 0.13 0.01 -0.36 0.00 -0.27 0.00 0.00 62.75 62.26 1sj6 n ILE 40 Cb 0.47 -0.53 -0.04 0.00 -1.74 0.00 0.00 39.64 37.80 1sj6 n ILE 40 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1sj6 n SER 41 N -1.14 8.01 0.11 7.28 2.88 -1.26 -3.79 113.62 125.70 1sj6 n SER 41 Ca 0.18 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.93 1sj6 n SER 41 Cb 0.17 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 1sj6 n SER 41 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1sj6 n GLN 42 N 2.65 0.00 -4.89 -1.46 0.00 -1.26 -4.65 117.38 107.77 1sj6 n GLN 42 Ca 0.68 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 57.36 1sj6 n GLN 42 Cb 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 30.24 30.40 1sj6 n GLN 42 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1sj6 s ASP 43 N -2.14 3.06 0.61 1.69 2.15 -1.25 -5.00 116.67 115.79 1sj6 s ASP 43 Ca 0.00 -0.58 0.30 0.00 0.43 0.00 0.00 52.55 52.71 1sj6 s ASP 43 Cb 0.00 -1.41 1.69 0.00 -0.30 0.00 0.00 42.92 42.90 1sj6 s ASP 43 CO 0.00 0.11 2.07 0.78 -0.17 0.00 0.00 175.17 177.95 1sj6 h ASN 44 N 7.07 0.00 0.37 -0.34 2.35 -2.00 0.71 115.58 123.74 1sj6 h ASN 44 Ca -0.27 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.42 1sj6 h ASN 44 Cb 1.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1sj6 h ASN 44 CO 0.52 0.00 -0.31 0.00 -1.65 0.00 0.00 177.43 175.99 1sj6 h ALA 45 N 1.68 1.41 -0.04 -0.83 0.00 -1.94 -2.44 119.26 117.09 1sj6 h ALA 45 Ca 0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1sj6 h ALA 45 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1sj6 h ALA 45 CO -0.00 0.39 -0.44 -0.07 0.00 0.00 0.00 179.25 179.13 1sj6 h LEU 46 N 0.00 0.10 -0.11 0.00 3.38 -1.16 -0.94 115.31 116.59 1sj6 h LEU 46 Ca -0.00 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1sj6 h LEU 46 Cb 0.57 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sj6 h LEU 46 CO 0.04 0.53 -0.48 -0.09 0.09 0.00 0.00 178.44 178.53 1sj6 h ARG 47 N 0.08 0.51 -0.01 1.13 2.43 -1.51 -2.38 114.38 114.63 1sj6 h ARG 47 Ca 0.00 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1sj6 h ARG 47 Cb 0.81 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1sj6 h ARG 47 CO 0.06 1.04 0.00 -0.25 -1.51 0.00 0.00 179.97 179.31 1sj6 n ASP 48 N -4.25 0.52 -0.10 -3.80 9.92 -1.08 -2.62 116.55 115.15 1sj6 n ASP 48 Ca -0.08 -1.22 -0.09 0.00 -0.53 0.00 0.00 54.79 52.87 1sj6 n ASP 48 Cb 0.59 -0.01 -0.16 0.00 -0.64 0.00 0.00 41.12 40.90 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 -0.57 0.71 0.03 -1.24 2.13 -0.36 -4.18 120.64 117.15 1sj6 n GLU 49 Ca 0.21 -0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.79 1sj6 n GLU 49 Cb 0.19 -1.52 -0.14 0.00 0.27 0.00 0.00 31.44 30.24 1sj6 n GLU 49 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 1sj6 h MET 50 N 0.00 0.30 -0.19 5.31 4.05 -1.42 -2.84 114.93 120.14 1sj6 h MET 50 Ca -0.52 -0.52 0.05 0.00 -0.28 0.00 0.00 59.70 58.44 1sj6 h MET 50 Cb 2.19 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 33.17 1sj6 h MET 50 CO 0.03 1.25 0.15 0.00 0.23 0.00 0.00 176.91 178.56 1sj6 h ARG 51 N -0.16 0.00 0.00 0.39 -0.00 -1.73 0.41 114.38 113.29 1sj6 h ARG 51 Ca -0.31 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.14 1sj6 h ARG 51 Cb 1.88 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.85 1sj6 h ARG 51 CO 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 179.97 179.73 1sj6 h ALA 52 N 1.89 0.03 -0.12 0.04 0.00 -1.73 -2.42 119.26 116.94 1sj6 h ALA 52 Ca 0.09 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1sj6 h ALA 52 Cb 0.38 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sj6 h ALA 52 CO -0.00 0.29 0.10 -0.07 0.00 0.00 0.00 179.25 179.57 1sj6 h LEU 53 N -1.00 0.00 0.00 0.00 3.38 -1.40 0.13 115.31 116.42 1sj6 h LEU 53 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sj6 h LEU 53 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sj6 h LEU 53 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1sj6 n ALA 54 N -2.51 2.47 -3.59 1.53 0.00 0.14 -4.54 120.51 114.02 1sj6 n ALA 54 Ca -0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.08 1sj6 n ALA 54 Cb 0.22 -1.48 0.07 0.00 0.00 0.00 0.00 19.45 18.26 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 1.11 -0.40 0.00 0.00 0.00 0.44 -4.96 105.19 101.38 1sj6 n GLY 55 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.91 -5.03 115.26 113.60 1sj6 n ASN 56 Ca -0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.34 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 -1.23 -3.35 135.00 131.62 1sj6 n PRO 57 Ca 0.00 -1.00 0.00 0.00 -0.05 0.00 0.00 63.50 62.45 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 0.36 -0.05 0.00 0.00 175.50 175.81 1sj6 n LYS 58 N 0.07 0.28 0.00 0.54 2.85 -1.26 -5.07 118.16 115.57 1sj6 n LYS 58 Ca 0.15 -0.54 0.00 0.00 -1.05 0.00 0.00 58.31 56.87 1sj6 n LYS 58 Cb 0.75 -0.75 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1sj6 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sj6 n ALA 59 N -0.10 0.00 -2.23 0.58 0.00 -1.21 -5.07 120.51 112.48 1sj6 n ALA 59 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1sj6 n ALA 59 Cb 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.61 0.21 0.20 0.00 -4.23 -1.26 -5.07 115.64 104.89 1sj6 s THR 60 Ca 0.00 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 1sj6 s THR 60 Cb 0.00 -2.45 0.18 0.00 1.34 0.00 0.00 72.50 71.57 1sj6 s THR 60 CO 0.00 -0.10 1.66 -0.65 -0.54 0.00 0.00 174.62 174.99 1sj6 h PRO 61 N 2.59 0.07 -5.76 3.99 0.11 -1.91 -3.35 132.00 127.76 1sj6 h PRO 61 Ca -0.37 -0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.42 1sj6 h PRO 61 Cb 1.24 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1sj6 h PRO 61 CO 0.57 0.05 0.82 -1.25 -0.21 0.00 0.00 178.00 177.98 1sj6 s PRO 62 N -6.18 2.59 -0.06 1.05 0.04 -1.22 -2.50 135.00 128.72 1sj6 s PRO 62 Ca -0.14 -0.21 0.01 0.00 0.04 0.00 0.00 61.00 60.70 1sj6 s PRO 62 Cb 0.18 -4.99 0.02 0.00 0.04 0.00 0.00 34.50 29.75 1sj6 s PRO 62 CO 0.73 -3.28 -0.05 -0.65 0.04 0.00 0.00 177.00 173.80 1sj6 s GLN 63 N 6.96 0.97 -0.16 4.56 -1.52 -1.15 -3.40 119.66 125.91 1sj6 s GLN 63 Ca 0.69 -0.12 -0.12 0.00 -1.95 0.00 0.00 55.36 53.86 1sj6 s GLN 63 Cb -0.07 -1.01 -0.05 0.00 -0.22 0.00 0.00 33.01 31.66 1sj6 s GLN 63 CO 0.01 -0.13 0.24 0.42 -0.25 0.00 0.00 175.29 175.59 1sj6 s ILE 64 N 1.16 5.34 -0.03 1.08 1.01 -1.20 0.46 121.20 129.01 1sj6 s ILE 64 Ca -0.07 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.07 1sj6 s ILE 64 Cb -0.14 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1sj6 s ILE 64 CO -0.01 0.42 -0.17 -0.69 0.00 0.00 0.00 174.94 174.49 1sj6 s VAL 65 N 0.29 1.39 -1.13 2.92 1.01 -0.86 -1.29 120.40 122.72 1sj6 s VAL 65 Ca 0.14 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1sj6 s VAL 65 Cb -0.12 -1.17 0.27 0.00 0.00 0.00 0.00 36.38 35.35 1sj6 s VAL 65 CO 0.03 0.40 1.52 -3.20 0.00 0.00 0.00 175.10 173.85 1sj6 n ASN 66 N 2.86 6.01 0.00 3.32 4.05 -1.03 -0.98 115.26 129.49 1sj6 n ASN 66 Ca -0.16 -3.29 0.00 0.00 0.45 0.00 0.00 54.58 51.58 1sj6 n ASN 66 Cb 0.54 -1.34 0.00 0.00 1.23 0.00 0.00 39.78 40.21 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 1.88 2.16 2.76 8.20 0.00 -0.97 -3.89 105.19 115.33 1sj6 n GLY 67 Ca 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 4.20 0.23 -3.84 1.61 -0.08 -1.26 -4.90 116.55 112.50 1sj6 n ASP 68 Ca 0.00 -2.17 -0.10 0.00 -1.51 0.00 0.00 54.79 51.01 1sj6 n ASP 68 Cb 0.00 0.04 -0.06 0.00 2.34 0.00 0.00 41.12 43.44 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 -2.06 1.15 -0.58 -0.67 -0.21 -1.25 -5.11 119.66 110.92 1sj6 s GLN 69 Ca 0.20 -1.00 -0.28 0.00 0.02 0.00 0.00 55.36 54.30 1sj6 s GLN 69 Cb 0.38 0.42 0.03 0.00 1.00 0.00 0.00 33.01 34.84 1sj6 s GLN 69 CO -0.07 -0.44 1.22 -0.47 -2.12 0.00 0.00 175.29 173.41 1sj6 s TYR 70 N -3.90 2.56 -0.13 0.91 5.04 -1.26 -2.45 117.35 118.12 1sj6 s TYR 70 Ca 0.11 0.41 -0.27 0.00 -2.44 0.00 0.00 57.07 54.88 1sj6 s TYR 70 Cb 0.02 -4.51 -0.24 0.00 0.35 0.00 0.00 41.96 37.58 1sj6 s TYR 70 CO -0.04 -1.65 0.77 0.00 -1.34 0.00 0.00 175.55 173.29 1sj6 n GLY 72 N 1.49 -0.78 0.00 0.00 0.00 -0.72 -5.00 105.19 100.18 1sj6 n GLY 72 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.27 116.55 113.50 1sj6 n ASP 73 Ca 0.00 -0.71 -0.14 0.00 -1.51 0.00 0.00 54.79 52.42 1sj6 n ASP 73 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 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 0.71 0.60 0.07 -0.67 5.03 -1.95 -2.83 116.97 117.93 1sj6 h TYR 74 Ca 0.00 -0.22 0.00 0.00 2.58 0.00 0.00 58.73 61.09 1sj6 h TYR 74 Cb 0.00 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.16 1sj6 h TYR 74 CO 0.00 0.93 -0.05 1.49 -1.32 0.00 0.00 178.16 179.20 1sj6 h GLU 75 N 0.11 -0.13 0.25 1.82 4.22 -1.97 -1.50 114.58 117.38 1sj6 h GLU 75 Ca 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1sj6 h GLU 75 Cb 0.89 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1sj6 h GLU 75 CO 0.07 -0.08 -0.27 -0.07 -2.18 0.00 0.00 179.01 176.47 1sj6 h LEU 76 N -0.13 -0.74 -0.44 1.64 4.07 -1.95 0.95 115.31 118.71 1sj6 h LEU 76 Ca -0.00 0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.09 1sj6 h LEU 76 Cb 0.12 0.25 -0.09 0.00 1.08 0.00 0.00 40.66 42.02 1sj6 h LEU 76 CO -0.01 -0.35 -0.44 0.15 -1.08 0.00 0.00 178.44 176.71 1sj6 h PHE 77 N -0.52 -1.31 -0.29 1.13 3.04 -1.53 0.13 116.94 117.60 1sj6 h PHE 77 Ca -0.03 0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1sj6 h PHE 77 Cb 0.46 0.63 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 1sj6 h PHE 77 CO -0.18 -0.44 0.06 0.28 -2.02 0.00 0.00 178.31 176.01 1sj6 h VAL 78 N -0.32 1.14 0.00 1.41 2.07 -1.20 -0.76 116.25 118.59 1sj6 h VAL 78 Ca 0.14 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1sj6 h VAL 78 Cb 0.58 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1sj6 h VAL 78 CO -0.60 0.18 0.00 1.21 0.02 0.00 0.00 177.57 178.39 1sj6 n GLU 79 N -4.37 0.47 -0.10 1.57 2.13 0.33 -3.47 120.64 117.20 1sj6 n GLU 79 Ca 0.01 0.04 -0.18 0.00 0.66 0.00 0.00 57.16 57.69 1sj6 n GLU 79 Cb 0.17 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.31 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 -1.21 0.86 -0.16 4.31 0.00 0.11 -4.34 120.51 120.08 1sj6 n ALA 80 Ca 0.14 -0.74 0.23 0.00 0.00 0.00 0.00 53.44 53.07 1sj6 n ALA 80 Cb 0.17 -0.09 0.64 0.00 0.00 0.00 0.00 19.45 20.17 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 0.64 -0.33 0.00 2.07 -1.59 1.02 116.25 117.07 1sj6 h VAL 81 Ca -0.30 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1sj6 h VAL 81 Cb 1.16 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1sj6 h VAL 81 CO -0.18 0.03 0.09 1.05 0.02 0.00 0.00 177.57 178.57 1sj6 h GLU 82 N 0.14 0.21 -0.60 1.57 4.11 -1.75 -2.30 114.58 115.95 1sj6 h GLU 82 Ca 0.40 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1sj6 h GLU 82 Cb 1.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1sj6 h GLU 82 CO -0.06 0.14 0.00 0.94 0.07 0.00 0.00 179.01 180.10 1sj6 n GLN 83 N -5.06 2.64 -1.25 1.06 7.27 -0.50 -4.91 117.38 116.63 1sj6 n GLN 83 Ca 0.01 -2.53 -0.05 0.00 0.07 0.00 0.00 57.00 54.50 1sj6 n GLN 83 Cb 0.13 -1.55 -0.02 0.00 2.41 0.00 0.00 30.24 31.21 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 1.61 -3.41 0.18 1.69 2.85 0.19 -4.90 115.26 113.46 1sj6 n ASN 84 Ca 0.23 0.10 0.12 0.00 -0.11 0.00 0.00 54.58 54.92 1sj6 n ASN 84 Cb 0.62 -1.50 0.12 0.00 1.24 0.00 0.00 39.78 40.26 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 -0.64 -0.44 1.35 0.71 -3.36 112.91 110.53 1sj6 h THR 85 Ca -0.10 -0.99 0.27 0.00 -0.55 0.00 0.00 66.41 65.04 1sj6 h THR 85 Cb 0.40 1.82 -0.11 0.00 -1.73 0.00 0.00 68.15 68.53 1sj6 h THR 85 CO 0.14 0.00 0.35 -0.11 -0.25 0.00 0.00 175.52 175.65 1sj6 n LEU 86 N -2.94 0.22 0.33 3.87 -0.00 -1.02 0.11 117.00 117.56 1sj6 n LEU 86 Ca 0.03 1.03 -0.17 0.00 -0.00 0.00 0.00 56.01 56.90 1sj6 n LEU 86 Cb 0.53 -0.50 -0.09 0.00 -0.00 0.00 0.00 43.42 43.36 1sj6 n LEU 86 CO 0.36 -1.16 0.64 -0.61 -0.00 0.00 0.00 177.39 176.63 1sj6 h GLN 87 N 0.00 -0.84 -0.53 1.96 4.15 -1.91 0.63 115.11 118.57 1sj6 h GLN 87 Ca 0.53 0.06 0.15 0.00 0.77 0.00 0.00 58.65 60.16 1sj6 h GLN 87 Cb 1.43 0.19 -0.02 0.00 0.21 0.00 0.00 27.48 29.29 1sj6 h GLN 87 CO -0.47 -0.56 0.77 1.49 -1.93 0.00 0.00 178.83 178.13 1sj6 h GLU 88 N -0.87 0.00 0.00 1.69 4.22 0.49 1.37 114.58 121.48 1sj6 h GLU 88 Ca -0.07 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.14 1sj6 h GLU 88 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1sj6 h GLU 88 CO 0.09 0.00 -2.23 0.34 -2.18 0.00 0.00 179.01 175.03 1sj6 n PHE 89 N -3.28 0.00 -0.05 0.92 -0.00 -0.63 -3.92 117.46 110.51 1sj6 n PHE 89 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.51 1sj6 n PHE 89 Cb 0.96 -0.80 -0.02 0.00 -0.00 0.00 0.00 39.48 39.62 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 -2.56 1.03 -0.61 -2.13 4.77 0.23 -4.71 117.00 113.02 1sj6 n LEU 90 Ca -0.22 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1sj6 n LEU 90 Cb 0.93 -0.62 0.17 0.00 -2.33 0.00 0.00 43.42 41.57 1sj6 n LEU 90 CO 0.44 -0.38 0.56 0.29 -1.33 0.00 0.00 177.39 176.97 1sj6 n LYS 91 N -3.54 1.60 -2.31 3.23 5.02 0.20 -4.95 118.16 117.41 1sj6 n LYS 91 Ca -0.07 -1.23 -0.08 0.00 -2.02 0.00 0.00 58.31 54.91 1sj6 n LYS 91 Cb 0.28 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 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 0.37 -0.70 -1.98 -0.35 7.99 0.40 -4.79 117.00 117.96 1sj6 n LEU 92 Ca 0.13 0.30 -0.23 0.00 -0.01 0.00 0.00 56.01 56.20 1sj6 n LEU 92 Cb 0.48 -1.67 0.14 0.00 -0.11 0.00 0.00 43.42 42.25 1sj6 n LEU 92 CO 0.22 -0.12 1.07 0.00 -1.51 0.00 0.00 177.39 177.04 1sj6 n ALA 93 N -2.06 5.46 -1.76 -1.18 0.00 -1.26 -4.48 120.51 115.24 1sj6 n ALA 93 Ca -0.09 -3.24 -0.04 0.00 0.00 0.00 0.00 53.44 50.06 1sj6 n ALA 93 Cb 0.53 -1.24 0.14 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.02 3.44 -0.76 0.00 7.94 -1.26 -4.88 117.00 120.45 1sj6 n LEU 94 Ca 0.53 -4.17 0.13 0.00 -1.11 0.00 0.00 56.01 51.38 1sj6 n LEU 94 Cb 1.13 -0.46 0.28 0.00 0.53 0.00 0.00 43.42 44.90 1sj6 n LEU 94 CO 0.54 1.64 0.73 -0.62 -1.11 0.00 0.00 177.39 178.57