#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 6.80 0.35 6.12 0.01 -1.26 -4.87 113.70 120.85 1sj6 s SER 2 Ca 0.00 0.98 0.04 0.00 1.31 0.00 0.00 55.95 58.28 1sj6 s SER 2 Cb 0.00 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 1sj6 s SER 2 CO 0.00 -0.31 0.37 0.61 0.41 0.00 0.00 173.24 174.32 1sj6 n GLY 3 N 3.62 2.58 2.86 3.44 0.00 -1.26 -5.03 105.19 111.39 1sj6 n GLY 3 Ca 0.01 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1sj6 n GLY 3 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sj6 s LEU 4 N 0.00 1.02 -0.14 0.99 0.20 -1.26 -2.91 118.68 116.58 1sj6 s LEU 4 Ca 0.37 -0.28 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 1sj6 s LEU 4 Cb 0.01 -0.71 -0.02 0.00 -0.43 0.00 0.00 46.19 45.04 1sj6 s LEU 4 CO 0.26 -0.15 -0.10 -0.13 -0.29 0.00 0.00 176.35 175.94 1sj6 s ARG 5 N 1.79 3.45 -0.23 1.98 0.52 0.46 0.10 118.95 127.03 1sj6 s ARG 5 Ca 0.04 -0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1sj6 s ARG 5 Cb -0.13 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 1sj6 s ARG 5 CO -0.07 0.18 -0.03 0.08 0.02 0.00 0.00 175.30 175.47 1sj6 s VAL 6 N 0.47 3.42 0.30 3.52 1.01 -0.84 0.33 120.40 128.62 1sj6 s VAL 6 Ca -0.08 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1sj6 s VAL 6 Cb -0.15 -2.58 -0.10 0.00 0.00 0.00 0.00 36.38 33.55 1sj6 s VAL 6 CO 0.04 0.39 0.95 -0.31 0.00 0.00 0.00 175.10 176.16 1sj6 s TYR 7 N 1.48 3.76 0.35 5.22 2.02 -0.16 0.65 117.35 130.67 1sj6 s TYR 7 Ca 0.05 1.82 -0.17 0.00 -0.37 0.00 0.00 57.07 58.40 1sj6 s TYR 7 Cb -0.15 -2.95 0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1sj6 s TYR 7 CO -0.03 0.25 0.75 -1.54 -1.57 0.00 0.00 175.55 173.41 1sj6 s SER 8 N -1.49 -0.04 -0.27 2.29 1.04 -1.13 -3.29 113.70 110.80 1sj6 s SER 8 Ca 0.48 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1sj6 s SER 8 Cb -0.21 0.80 0.08 0.00 0.10 0.00 0.00 66.02 66.79 1sj6 s SER 8 CO 0.26 -1.55 0.03 0.28 0.98 0.00 0.00 173.24 173.24 1sj6 s THR 9 N -2.90 1.29 0.18 2.02 -1.32 -1.26 -1.86 115.64 111.78 1sj6 s THR 9 Ca 0.15 -1.36 -0.13 0.00 -1.21 0.00 0.00 61.69 59.13 1sj6 s THR 9 Cb -0.05 -1.78 0.07 0.00 -1.51 0.00 0.00 72.50 69.23 1sj6 s THR 9 CO 0.10 -0.38 1.81 -1.28 -2.21 0.00 0.00 174.62 172.66 1sj6 h SER 10 N 7.99 0.48 -3.62 8.08 0.87 -1.93 -3.39 113.55 122.02 1sj6 h SER 10 Ca -0.14 0.01 -0.68 0.00 -1.23 0.00 0.00 61.79 59.75 1sj6 h SER 10 Cb 1.05 -0.09 -0.32 0.00 -0.44 0.00 0.00 62.40 62.61 1sj6 h SER 10 CO 0.44 0.33 -0.71 -0.69 -0.53 0.00 0.00 176.83 175.67 1sj6 s VAL 11 N -6.14 3.05 0.28 2.23 1.01 -1.26 -5.09 120.40 114.48 1sj6 s VAL 11 Ca -0.13 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.77 1sj6 s VAL 11 Cb 0.13 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1sj6 s VAL 11 CO 0.74 0.06 0.17 0.41 0.00 0.00 0.00 175.10 176.48 1sj6 n THR 12 N 4.67 0.00 -2.20 3.92 -1.04 -1.26 -4.95 114.28 113.42 1sj6 n THR 12 Ca -0.15 -1.84 0.01 0.00 -2.04 0.00 0.00 64.05 60.03 1sj6 n THR 12 Cb 0.46 0.81 -0.00 0.00 -1.82 0.00 0.00 70.33 69.77 1sj6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sj6 n GLY 13 N -0.31 0.76 2.47 3.41 0.00 -1.26 -5.11 105.19 105.14 1sj6 n GLY 13 Ca 0.01 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 1sj6 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sj6 n SER 14 N 0.20 2.02 0.00 1.61 3.41 -1.26 -5.06 113.62 114.54 1sj6 n SER 14 Ca -0.02 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 1sj6 n SER 14 Cb 0.86 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1sj6 n SER 14 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1sj6 n ARG 15 N -1.41 4.20 -0.12 4.33 0.63 -1.26 -4.62 116.66 118.42 1sj6 n ARG 15 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1sj6 n ARG 15 Cb 0.40 -0.59 -0.14 0.00 0.45 0.00 0.00 32.46 32.59 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 -0.98 0.68 0.09 -0.14 1.02 -1.26 -4.15 120.64 115.90 1sj6 n GLU 16 Ca 0.00 0.08 -0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1sj6 n GLU 16 Cb 0.00 -1.52 0.29 0.00 -0.02 0.00 0.00 31.44 30.19 1sj6 n GLU 16 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1sj6 h ILE 17 N 0.00 1.25 -0.05 -3.67 2.04 -1.99 -0.61 117.51 114.47 1sj6 h ILE 17 Ca -0.56 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.00 1sj6 h ILE 17 Cb 2.04 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 1sj6 h ILE 17 CO -0.04 0.36 -0.54 0.11 0.00 0.00 0.00 178.15 178.04 1sj6 h LYS 18 N 0.26 0.15 0.01 2.37 1.57 -1.82 -1.83 116.57 117.28 1sj6 h LYS 18 Ca 0.04 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 1sj6 h LYS 18 Cb 0.60 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1sj6 h LYS 18 CO 0.04 0.65 -1.22 0.77 -0.57 0.00 0.00 179.45 179.13 1sj6 h SER 19 N 0.12 0.04 0.22 0.86 0.02 -1.63 -2.79 113.55 110.38 1sj6 h SER 19 Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1sj6 h SER 19 Cb 0.99 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1sj6 h SER 19 CO 0.08 1.04 -0.11 1.56 -1.14 0.00 0.00 176.83 178.26 1sj6 h GLN 20 N 0.01 -0.29 -0.46 3.45 7.50 -1.03 -2.15 115.11 122.14 1sj6 h GLN 20 Ca -0.10 0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.06 1sj6 h GLN 20 Cb 1.85 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 29.43 1sj6 h GLN 20 CO 0.12 0.08 0.25 -0.56 -1.50 0.00 0.00 178.83 177.22 1sj6 h GLN 21 N -0.91 0.64 -0.77 1.46 3.07 -1.49 -2.28 115.11 114.83 1sj6 h GLN 21 Ca -0.03 -0.08 0.01 0.00 0.09 0.00 0.00 58.65 58.64 1sj6 h GLN 21 Cb 0.50 -0.12 -0.04 0.00 0.08 0.00 0.00 27.48 27.89 1sj6 h GLN 21 CO 0.05 0.51 0.51 1.03 0.09 0.00 0.00 178.83 181.02 1sj6 h SER 22 N 0.60 0.87 -0.09 0.06 0.87 -1.60 -2.10 113.55 112.17 1sj6 h SER 22 Ca 0.16 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1sj6 h SER 22 Cb 0.06 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1sj6 h SER 22 CO -0.03 0.63 0.03 -0.08 -0.53 0.00 0.00 176.83 176.85 1sj6 h GLU 23 N 1.03 0.15 -0.72 2.24 4.81 -0.96 0.15 114.58 121.27 1sj6 h GLU 23 Ca 0.28 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1sj6 h GLU 23 Cb -0.10 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1sj6 h GLU 23 CO -0.06 0.30 0.48 0.28 -0.73 0.00 0.00 179.01 179.27 1sj6 h VAL 24 N -0.03 1.11 0.02 0.32 2.07 -1.09 -1.69 116.25 116.96 1sj6 h VAL 24 Ca 0.03 -0.30 -0.20 0.00 0.82 0.00 0.00 66.70 67.05 1sj6 h VAL 24 Cb 0.21 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1sj6 h VAL 24 CO -0.00 0.16 -0.94 0.71 0.02 0.00 0.00 177.57 177.52 1sj6 h THR 25 N 0.88 1.58 -0.59 2.57 1.35 -1.18 -2.47 112.91 115.05 1sj6 h THR 25 Ca 0.29 -2.95 -0.06 0.00 -0.55 0.00 0.00 66.41 63.14 1sj6 h THR 25 Cb 0.05 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 1sj6 h THR 25 CO -0.08 0.85 0.13 -0.09 -0.25 0.00 0.00 175.52 176.08 1sj6 h ARG 26 N 0.04 0.96 -0.04 4.72 2.43 0.15 0.15 114.38 122.79 1sj6 h ARG 26 Ca -0.04 -0.24 -0.16 0.00 -0.81 0.00 0.00 59.98 58.74 1sj6 h ARG 26 Cb 1.62 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 31.06 1sj6 h ARG 26 CO 0.13 0.89 -0.59 0.82 -1.51 0.00 0.00 179.97 179.72 1sj6 h ILE 27 N 0.87 1.39 -0.55 1.20 2.04 -1.41 -2.24 117.51 118.81 1sj6 h ILE 27 Ca 0.18 -1.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 1sj6 h ILE 27 Cb 0.37 2.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 1sj6 h ILE 27 CO 0.00 0.59 0.17 -0.07 0.00 0.00 0.00 178.15 178.84 1sj6 h LEU 28 N 0.02 0.81 -0.15 1.44 3.38 -1.40 -2.20 115.31 117.21 1sj6 h LEU 28 Ca -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1sj6 h LEU 28 Cb 1.27 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1sj6 h LEU 28 CO 0.12 0.80 0.03 -0.78 0.09 0.00 0.00 178.44 178.70 1sj6 h ASP 29 N 0.77 0.23 -0.38 -0.43 3.58 -0.78 -2.78 116.42 116.64 1sj6 h ASP 29 Ca 0.18 -0.25 0.06 0.00 0.42 0.00 0.00 57.03 57.44 1sj6 h ASP 29 Cb 0.29 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1sj6 h ASP 29 CO -0.00 0.42 0.26 1.23 -2.88 0.00 0.00 179.24 178.26 1sj6 h GLY 30 N 0.03 0.30 1.99 -0.78 0.00 -1.31 0.17 103.07 103.48 1sj6 h GLY 30 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1sj6 h GLY 30 CO 0.00 0.08 0.00 0.28 0.00 0.00 0.00 176.54 176.90 1sj6 n LYS 31 N -4.47 0.00 -3.13 4.80 5.02 -0.84 -4.91 118.16 114.63 1sj6 n LYS 31 Ca 0.05 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1sj6 n LYS 31 Cb 0.27 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.50 -5.00 -3.07 1.97 1.74 0.58 -5.02 116.66 106.36 1sj6 n ARG 32 Ca 0.06 0.56 -0.26 0.00 -0.77 0.00 0.00 57.85 57.43 1sj6 n ARG 32 Cb 0.28 -4.75 -0.01 0.00 -1.02 0.00 0.00 32.46 26.95 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 -3.22 5.00 -0.77 0.55 1.01 -1.08 -5.01 121.20 117.68 1sj6 s ILE 33 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 1sj6 s ILE 33 Cb -0.11 -3.84 0.38 0.00 0.01 0.00 0.00 42.46 38.90 1sj6 s ILE 33 CO 0.49 -0.63 1.94 0.00 0.00 0.00 0.00 174.94 176.74 1sj6 n GLN 34 N -1.81 2.81 -2.30 2.79 -0.00 -1.26 -4.87 117.38 112.74 1sj6 n GLN 34 Ca -0.02 -3.57 -0.33 0.00 -0.00 0.00 0.00 57.00 53.08 1sj6 n GLN 34 Cb 0.55 -2.27 -0.02 0.00 -0.00 0.00 0.00 30.24 28.50 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 -3.98 3.20 0.75 2.61 1.13 -1.26 -4.73 117.35 115.07 1sj6 s TYR 35 Ca 0.54 1.51 -0.01 0.00 -1.41 0.00 0.00 57.07 57.69 1sj6 s TYR 35 Cb 0.45 -2.91 0.15 0.00 -1.10 0.00 0.00 41.96 38.54 1sj6 s TYR 35 CO -0.32 -0.71 1.03 0.94 -2.51 0.00 0.00 175.55 173.98 1sj6 n GLN 36 N -1.63 -0.19 -3.39 -3.49 7.27 0.29 -4.94 117.38 111.30 1sj6 n GLN 36 Ca 0.08 -2.71 -0.27 0.00 0.07 0.00 0.00 57.00 54.17 1sj6 n GLN 36 Cb 0.53 -0.71 -0.10 0.00 2.41 0.00 0.00 30.24 32.37 1sj6 n GLN 36 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1sj6 n LEU 37 N 0.00 -0.49 -4.50 1.69 0.00 -1.25 -1.98 117.00 110.46 1sj6 n LEU 37 Ca 0.17 -4.37 -0.42 0.00 0.00 0.00 0.00 56.01 51.39 1sj6 n LEU 37 Cb 0.59 0.55 -0.01 0.00 0.00 0.00 0.00 43.42 44.56 1sj6 n LEU 37 CO 0.40 1.86 2.00 1.33 0.00 0.00 0.00 177.39 182.99 1sj6 n VAL 38 N 2.83 3.74 -2.62 1.96 0.24 0.21 -4.89 118.33 119.81 1sj6 n VAL 38 Ca 0.30 -3.84 -0.43 0.00 -2.04 0.00 0.00 64.34 58.33 1sj6 n VAL 38 Cb 0.48 -2.36 -0.02 0.00 -1.47 0.00 0.00 33.84 30.47 1sj6 n VAL 38 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1sj6 s ASP 39 N 4.32 7.11 0.41 -1.34 1.47 -1.26 -3.24 116.67 124.15 1sj6 s ASP 39 Ca 0.55 1.49 0.23 0.00 1.18 0.00 0.00 52.55 56.00 1sj6 s ASP 39 Cb 0.05 -2.54 0.31 0.00 -0.34 0.00 0.00 42.92 40.39 1sj6 s ASP 39 CO 0.07 -0.63 1.56 0.16 0.68 0.00 0.00 175.17 177.01 1sj6 h ILE 40 N 5.34 0.00 0.00 2.11 3.07 -1.69 -3.24 117.51 123.10 1sj6 h ILE 40 Ca -0.24 -0.99 -0.01 0.00 1.55 0.00 0.00 64.86 65.16 1sj6 h ILE 40 Cb 1.09 1.94 -0.00 0.00 -0.27 0.00 0.00 36.82 39.59 1sj6 h ILE 40 CO 0.94 0.00 -0.07 -1.28 -1.05 0.00 0.00 178.15 176.70 1sj6 h SER 41 N 0.00 0.00 0.85 2.16 0.87 -1.92 -2.97 113.55 112.55 1sj6 h SER 41 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1sj6 h SER 41 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1sj6 h SER 41 CO 0.00 0.07 -0.45 -0.61 -0.53 0.00 0.00 176.83 175.31 1sj6 h GLN 42 N 0.00 -1.14 -5.30 2.24 -0.00 -1.90 -3.42 115.11 105.59 1sj6 h GLN 42 Ca -0.00 0.08 -0.62 0.00 -0.00 0.00 0.00 58.65 58.10 1sj6 h GLN 42 Cb 0.12 0.26 -0.18 0.00 0.00 0.00 0.00 27.48 27.68 1sj6 h GLN 42 CO 0.01 -0.76 -0.61 0.34 0.00 0.00 0.00 178.83 177.81 1sj6 s ASP 43 N -3.86 5.28 0.63 -0.69 2.15 -1.12 -4.98 116.67 114.09 1sj6 s ASP 43 Ca -0.18 -0.00 0.42 0.00 0.43 0.00 0.00 52.55 53.22 1sj6 s ASP 43 Cb 0.02 -1.88 2.22 0.00 -0.30 0.00 0.00 42.92 42.98 1sj6 s ASP 43 CO 0.54 0.18 2.28 0.78 -0.17 0.00 0.00 175.17 178.78 1sj6 h ASN 44 N 6.66 0.00 0.22 -0.34 4.21 -1.82 -1.90 115.58 122.61 1sj6 h ASN 44 Ca -0.35 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 56.90 1sj6 h ASN 44 Cb 1.18 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.39 1sj6 h ASN 44 CO 0.67 0.00 -1.09 0.00 -1.29 0.00 0.00 177.43 175.72 1sj6 h ALA 45 N 2.00 0.17 -0.04 -0.83 0.00 -1.94 -3.20 119.26 115.42 1sj6 h ALA 45 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1sj6 h ALA 45 Cb 0.07 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sj6 h ALA 45 CO 0.00 0.76 0.03 -0.07 0.00 0.00 0.00 179.25 179.97 1sj6 h LEU 46 N 0.27 0.04 0.43 0.00 3.38 -1.57 0.14 115.31 118.00 1sj6 h LEU 46 Ca -0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1sj6 h LEU 46 Cb 1.75 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1sj6 h LEU 46 CO 0.20 0.03 -0.21 0.03 0.09 0.00 0.00 178.44 178.58 1sj6 h ARG 47 N 0.05 -0.56 -0.01 1.13 3.08 -1.56 0.38 114.38 116.90 1sj6 h ARG 47 Ca 0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1sj6 h ARG 47 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1sj6 h ARG 47 CO -0.00 -0.30 0.00 -3.47 -1.07 0.00 0.00 179.97 175.12 1sj6 n ASP 48 N -5.29 0.48 -0.09 7.04 -0.08 -1.03 -2.61 116.55 114.97 1sj6 n ASP 48 Ca -0.11 -1.19 -0.08 0.00 -1.51 0.00 0.00 54.79 51.90 1sj6 n ASP 48 Cb 0.27 -0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.57 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 -0.61 0.73 0.04 -0.67 4.07 0.45 -4.25 120.64 120.41 1sj6 n GLU 49 Ca 0.22 -0.02 -0.14 0.00 -0.06 0.00 0.00 57.16 57.16 1sj6 n GLU 49 Cb 0.18 -1.51 -0.14 0.00 -0.06 0.00 0.00 31.44 29.91 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 0.16 -0.36 5.31 4.05 -0.22 -2.80 114.93 121.06 1sj6 h MET 50 Ca -0.50 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 58.65 1sj6 h MET 50 Cb 2.14 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 33.03 1sj6 h MET 50 CO 0.03 0.98 0.23 0.00 0.23 0.00 0.00 176.91 178.37 1sj6 h ARG 51 N 0.04 0.48 0.17 0.39 -0.00 -1.71 -1.07 114.38 112.68 1sj6 h ARG 51 Ca -0.22 -0.03 -0.35 0.00 -0.50 0.00 0.00 59.98 58.88 1sj6 h ARG 51 Cb 1.97 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 31.84 1sj6 h ARG 51 CO 0.14 0.33 -1.77 0.00 0.00 0.00 0.00 179.97 178.66 1sj6 h ALA 52 N 1.76 0.22 0.00 0.04 0.00 -1.74 -1.54 119.26 118.00 1sj6 h ALA 52 Ca 0.13 -1.19 -0.00 0.00 0.00 0.00 0.00 54.91 53.85 1sj6 h ALA 52 Cb -0.04 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sj6 h ALA 52 CO -0.03 1.06 -0.01 1.25 0.00 0.00 0.00 179.25 181.52 1sj6 h LEU 53 N 0.05 0.00 -2.27 0.00 7.12 -1.24 -0.12 115.31 118.84 1sj6 h LEU 53 Ca -0.36 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.65 1sj6 h LEU 53 Cb 2.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.18 1sj6 h LEU 53 CO 0.14 0.01 0.00 0.00 -0.13 0.00 0.00 178.44 178.47 1sj6 n ALA 54 N -2.52 2.95 -3.99 1.25 0.00 -0.43 -4.56 120.51 113.21 1sj6 n ALA 54 Ca -0.03 -1.07 -0.27 0.00 0.00 0.00 0.00 53.44 52.07 1sj6 n ALA 54 Cb 0.10 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 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 0.83 -0.27 0.00 0.00 0.00 -0.06 -4.92 105.19 100.77 1sj6 n GLY 55 Ca 0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1sj6 n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sj6 n ASN 56 N -2.93 0.00 -1.16 1.61 5.15 -0.59 -5.03 115.26 112.31 1sj6 n ASN 56 Ca -0.24 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.72 1sj6 n ASN 56 Cb 0.65 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 40.00 1sj6 n ASN 56 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1sj6 n PRO 57 N 0.00 1.89 0.00 1.20 -0.05 -1.16 -3.34 135.00 133.55 1sj6 n PRO 57 Ca 0.00 -1.01 0.00 0.00 -0.05 0.00 0.00 63.50 62.44 1sj6 n PRO 57 Cb 0.00 -1.59 0.00 0.00 -0.05 0.00 0.00 33.50 31.86 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 0.10 0.48 0.00 0.54 5.02 -1.26 -5.04 118.16 118.00 1sj6 n LYS 58 Ca 0.14 -0.65 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1sj6 n LYS 58 Cb 0.71 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 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 -2.19 7.82 0.00 -1.21 -5.08 120.51 119.76 1sj6 n ALA 59 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1sj6 n ALA 59 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.73 0.69 0.22 0.00 -4.23 -1.26 -5.06 115.64 105.27 1sj6 s THR 60 Ca 0.00 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 1sj6 s THR 60 Cb 0.00 -1.82 0.27 0.00 1.34 0.00 0.00 72.50 72.29 1sj6 s THR 60 CO 0.00 -0.75 1.61 -0.65 -0.54 0.00 0.00 174.62 174.29 1sj6 h PRO 61 N 2.88 -0.01 -5.22 3.99 0.11 -1.90 -3.33 132.00 128.52 1sj6 h PRO 61 Ca -0.36 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 1sj6 h PRO 61 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1sj6 h PRO 61 CO 0.64 -0.01 0.14 -1.25 -0.21 0.00 0.00 178.00 177.32 1sj6 s PRO 62 N -6.22 1.41 -0.14 1.05 0.04 -1.21 -2.85 135.00 127.08 1sj6 s PRO 62 Ca -0.14 -0.24 -0.03 0.00 0.04 0.00 0.00 61.00 60.62 1sj6 s PRO 62 Cb 0.20 -4.95 0.05 0.00 0.04 0.00 0.00 34.50 29.84 1sj6 s PRO 62 CO 0.74 -5.07 0.05 -0.65 0.04 0.00 0.00 177.00 172.11 1sj6 s GLN 63 N 8.39 0.35 0.39 4.56 -1.52 -1.21 -2.48 119.66 128.13 1sj6 s GLN 63 Ca 0.83 -0.09 -0.23 0.00 -1.95 0.00 0.00 55.36 53.92 1sj6 s GLN 63 Cb -0.07 -1.56 -0.10 0.00 -0.22 0.00 0.00 33.01 31.06 1sj6 s GLN 63 CO 0.15 -0.54 0.95 0.42 -0.25 0.00 0.00 175.29 176.02 1sj6 s ILE 64 N 2.02 4.30 -0.00 1.08 1.01 0.15 -0.99 121.20 128.77 1sj6 s ILE 64 Ca 0.02 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1sj6 s ILE 64 Cb -0.15 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1sj6 s ILE 64 CO -0.07 -0.12 -0.01 -0.69 0.00 0.00 0.00 174.94 174.05 1sj6 s VAL 65 N -1.94 0.08 -0.74 2.92 1.01 0.15 -2.14 120.40 119.75 1sj6 s VAL 65 Ca 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 1sj6 s VAL 65 Cb -0.13 -0.10 0.18 0.00 0.00 0.00 0.00 36.38 36.34 1sj6 s VAL 65 CO 0.18 0.04 0.58 0.21 0.00 0.00 0.00 175.10 176.10 1sj6 s ASN 66 N 0.15 5.43 0.00 3.32 3.84 -1.18 -0.40 114.94 126.09 1sj6 s ASN 66 Ca -0.01 -3.37 0.00 0.00 0.21 0.00 0.00 52.86 49.69 1sj6 s ASN 66 Cb -0.02 -1.83 0.00 0.00 -0.55 0.00 0.00 41.25 38.84 1sj6 s ASN 66 CO -0.00 -0.24 0.00 0.61 -2.79 0.00 0.00 177.10 174.67 1sj6 n GLY 67 N 2.76 0.90 2.45 1.21 0.00 -1.14 -4.10 105.19 107.27 1sj6 n GLY 67 Ca 0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.63 1sj6 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sj6 n ASP 68 N 3.66 0.61 -3.99 1.61 8.00 -1.26 -4.97 116.55 120.21 1sj6 n ASP 68 Ca 0.00 -2.06 -0.10 0.00 0.71 0.00 0.00 54.79 53.34 1sj6 n ASP 68 Cb 0.00 -0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 1sj6 n ASP 68 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sj6 s GLN 69 N -2.03 1.12 -0.68 -1.24 -0.21 -1.26 -5.11 119.66 110.26 1sj6 s GLN 69 Ca 0.22 -1.21 -0.27 0.00 0.02 0.00 0.00 55.36 54.11 1sj6 s GLN 69 Cb 0.34 0.36 0.03 0.00 1.00 0.00 0.00 33.01 34.73 1sj6 s GLN 69 CO -0.08 -0.40 1.27 -0.47 -2.12 0.00 0.00 175.29 173.49 1sj6 s TYR 70 N -3.98 2.38 -0.11 0.91 5.04 -1.26 -3.12 117.35 117.20 1sj6 s TYR 70 Ca 0.18 0.14 -0.27 0.00 -2.44 0.00 0.00 57.07 54.68 1sj6 s TYR 70 Cb 0.04 -4.58 -0.27 0.00 0.35 0.00 0.00 41.96 37.50 1sj6 s TYR 70 CO 0.00 -1.92 0.82 0.00 -1.34 0.00 0.00 175.55 173.11 1sj6 n GLY 72 N 1.59 -0.66 0.00 0.00 0.00 -0.91 -5.00 105.19 100.21 1sj6 n GLY 72 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.06 1.61 5.68 -1.26 -0.68 116.55 121.97 1sj6 n ASP 73 Ca 0.00 -0.61 -0.11 0.00 -0.50 0.00 0.00 54.79 53.57 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 0.61 -0.64 0.01 2.11 3.20 -1.88 0.05 116.97 120.42 1sj6 h TYR 74 Ca 0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1sj6 h TYR 74 Cb 0.00 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1sj6 h TYR 74 CO 0.00 -0.33 -0.53 1.49 -1.64 0.00 0.00 178.16 177.15 1sj6 h GLU 75 N -0.38 -0.65 0.59 1.82 4.22 -1.97 0.62 114.58 118.83 1sj6 h GLU 75 Ca 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 1sj6 h GLU 75 Cb 0.46 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1sj6 h GLU 75 CO -0.21 -0.43 -0.47 -0.07 -2.18 0.00 0.00 179.01 175.65 1sj6 h LEU 76 N -0.67 -1.26 -0.43 1.64 4.07 -1.93 1.06 115.31 117.78 1sj6 h LEU 76 Ca 0.01 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.15 1sj6 h LEU 76 Cb 0.72 0.40 -0.09 0.00 1.08 0.00 0.00 40.66 42.77 1sj6 h LEU 76 CO -0.35 -0.66 -0.25 0.15 -1.08 0.00 0.00 178.44 176.25 1sj6 h PHE 77 N -1.03 -0.65 -0.09 1.13 3.57 -0.85 0.12 116.94 119.14 1sj6 h PHE 77 Ca -0.08 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1sj6 h PHE 77 Cb 0.86 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1sj6 h PHE 77 CO -0.18 -0.32 -0.27 0.28 -2.23 0.00 0.00 178.31 175.58 1sj6 h VAL 78 N -0.16 1.23 0.00 1.41 2.07 0.41 -1.82 116.25 119.39 1sj6 h VAL 78 Ca 0.20 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1sj6 h VAL 78 Cb 0.48 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1sj6 h VAL 78 CO -0.53 0.33 0.00 1.21 0.02 0.00 0.00 177.57 178.60 1sj6 n GLU 79 N -4.17 0.25 -0.11 1.57 2.13 0.36 -3.32 120.64 117.36 1sj6 n GLU 79 Ca -0.01 0.08 -0.18 0.00 0.66 0.00 0.00 57.16 57.70 1sj6 n GLU 79 Cb 0.36 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.50 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 -1.34 0.89 -0.27 4.31 0.00 -0.12 -4.34 120.51 119.64 1sj6 n ALA 80 Ca 0.10 -0.77 0.22 0.00 0.00 0.00 0.00 53.44 52.98 1sj6 n ALA 80 Cb 0.20 -0.06 0.54 0.00 0.00 0.00 0.00 19.45 20.13 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 0.60 -0.32 0.00 2.07 -1.58 1.05 116.25 117.07 1sj6 h VAL 81 Ca -0.32 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1sj6 h VAL 81 Cb 1.19 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1sj6 h VAL 81 CO -0.19 0.06 -0.01 1.05 0.02 0.00 0.00 177.57 178.50 1sj6 h GLU 82 N 0.35 0.08 -0.66 1.57 4.11 -1.76 -2.20 114.58 116.07 1sj6 h GLU 82 Ca 0.51 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 1sj6 h GLU 82 Cb 1.38 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1sj6 h GLU 82 CO -0.19 0.05 0.00 0.94 0.07 0.00 0.00 179.01 179.88 1sj6 n GLN 83 N -5.18 2.68 -1.13 1.06 7.27 -0.52 -4.91 117.38 116.65 1sj6 n GLN 83 Ca 0.00 -2.59 -0.05 0.00 0.07 0.00 0.00 57.00 54.44 1sj6 n GLN 83 Cb 0.17 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.23 1sj6 n GLN 83 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1sj6 n ASN 84 N 1.64 -3.61 0.17 1.69 3.02 0.21 -4.89 115.26 113.49 1sj6 n ASN 84 Ca 0.24 0.11 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 1sj6 n ASN 84 Cb 0.62 -1.51 0.25 0.00 -0.61 0.00 0.00 39.78 38.53 1sj6 n ASN 84 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1sj6 h THR 85 N 0.00 0.00 -0.57 3.41 2.02 0.76 -3.36 112.91 115.16 1sj6 h THR 85 Ca -0.09 -0.81 0.14 0.00 0.77 0.00 0.00 66.41 66.42 1sj6 h THR 85 Cb 0.32 1.79 -0.11 0.00 -1.74 0.00 0.00 68.15 68.41 1sj6 h THR 85 CO 0.14 0.00 -0.04 -0.11 0.37 0.00 0.00 175.52 175.88 1sj6 n LEU 86 N -2.78 -0.11 -0.01 2.58 0.00 -1.00 0.13 117.00 115.81 1sj6 n LEU 86 Ca 0.04 0.98 -0.09 0.00 0.00 0.00 0.00 56.01 56.94 1sj6 n LEU 86 Cb 0.49 -0.34 -0.03 0.00 0.00 0.00 0.00 43.42 43.55 1sj6 n LEU 86 CO 0.33 -0.98 0.71 -0.61 0.00 0.00 0.00 177.39 176.84 1sj6 h GLN 87 N 0.00 -0.27 -0.48 1.96 4.15 -1.91 0.35 115.11 118.92 1sj6 h GLN 87 Ca 0.33 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.90 1sj6 h GLN 87 Cb 0.62 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1sj6 h GLN 87 CO -0.56 -0.18 0.72 0.93 -1.93 0.00 0.00 178.83 177.82 1sj6 h GLU 88 N -0.28 0.00 0.00 1.69 4.39 0.84 1.42 114.58 122.65 1sj6 h GLU 88 Ca 0.10 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 1sj6 h GLU 88 Cb 0.43 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1sj6 h GLU 88 CO -0.30 0.00 -2.14 0.34 -1.16 0.00 0.00 179.01 175.74 1sj6 n PHE 89 N -3.28 0.00 -0.01 4.33 -0.00 0.50 -3.87 117.46 115.12 1sj6 n PHE 89 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.54 1sj6 n PHE 89 Cb 0.89 -0.68 -0.00 0.00 -0.00 0.00 0.00 39.48 39.69 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 -2.44 0.22 -0.46 -2.13 4.32 0.29 -4.73 117.00 112.07 1sj6 n LEU 90 Ca -0.15 0.04 0.12 0.00 -0.02 0.00 0.00 56.01 56.00 1sj6 n LEU 90 Cb 0.79 -0.53 0.22 0.00 -1.62 0.00 0.00 43.42 42.28 1sj6 n LEU 90 CO 0.45 -0.47 0.55 0.29 -1.22 0.00 0.00 177.39 176.98 1sj6 n LYS 91 N -2.73 1.28 -1.56 3.23 4.76 0.17 -4.94 118.16 118.37 1sj6 n LYS 91 Ca -0.02 -0.93 -0.16 0.00 -2.87 0.00 0.00 58.31 54.34 1sj6 n LYS 91 Cb 0.06 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 1sj6 n LYS 91 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1sj6 n LEU 92 N -0.05 -1.17 -3.99 -0.35 7.99 0.41 -2.37 117.00 117.47 1sj6 n LEU 92 Ca 0.12 0.35 -0.28 0.00 -0.01 0.00 0.00 56.01 56.20 1sj6 n LEU 92 Cb 0.43 -2.28 -0.03 0.00 -0.11 0.00 0.00 43.42 41.43 1sj6 n LEU 92 CO 0.24 -0.74 -0.26 0.00 -1.51 0.00 0.00 177.39 175.12 1sj6 n ALA 93 N 0.44 -2.09 -1.63 -1.18 0.00 -1.25 -4.79 120.51 110.01 1sj6 n ALA 93 Ca -0.16 -0.31 -0.40 0.00 0.00 0.00 0.00 53.44 52.58 1sj6 n ALA 93 Cb 0.53 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -4.44 8.34 0.00 0.00 0.00 -1.00 -5.08 117.00 114.81 1sj6 n LEU 94 Ca -0.29 -4.57 0.00 0.00 0.00 0.00 0.00 56.01 51.16 1sj6 n LEU 94 Cb 0.68 -1.49 0.00 0.00 0.00 0.00 0.00 43.42 42.61 1sj6 n LEU 94 CO 0.76 2.00 0.00 -0.62 0.00 0.00 0.00 177.39 179.53