#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5k s GLY 11 N 0.00 2.14 0.57 -0.02 0.00 -1.26 -5.09 107.32 103.66 1j5k s GLY 11 Ca 0.00 -1.97 -0.18 0.00 0.00 0.00 0.00 44.72 42.57 1j5k s GLY 11 CO 0.00 -1.83 0.66 -1.05 0.00 0.00 0.00 173.10 170.87 1j5k n PRO 12 N -1.21 0.63 -3.69 2.90 -0.02 -1.26 -4.82 135.00 127.54 1j5k n PRO 12 Ca -0.02 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 1j5k n PRO 12 Cb 0.63 -1.83 -0.12 0.00 -0.02 0.00 0.00 33.50 32.16 1j5k n PRO 12 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1j5k s ILE 13 N -1.64 4.20 0.20 4.25 -1.09 -1.26 -3.71 121.20 122.15 1j5k s ILE 13 Ca 0.70 -0.85 0.09 0.00 -2.23 0.00 0.00 60.65 58.36 1j5k s ILE 13 Cb -0.45 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1j5k s ILE 13 CO 0.52 -0.11 -0.18 0.27 -1.23 0.00 0.00 174.94 174.21 1j5k s ILE 14 N 1.50 1.93 -0.07 2.92 -4.36 -1.21 -5.02 121.20 116.89 1j5k s ILE 14 Ca 0.01 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 1j5k s ILE 14 Cb -0.19 -1.99 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 1j5k s ILE 14 CO 0.05 -0.40 -0.10 0.28 0.24 0.00 0.00 174.94 175.01 1j5k s THR 15 N -2.36 3.41 0.04 8.37 -1.32 -1.26 -3.70 115.64 118.80 1j5k s THR 15 Ca 0.20 -0.58 0.01 0.00 -1.21 0.00 0.00 61.69 60.11 1j5k s THR 15 Cb -0.04 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.54 1j5k s THR 15 CO 0.08 0.58 -0.05 0.42 -2.21 0.00 0.00 174.62 173.44 1j5k s THR 16 N -0.58 0.31 -0.02 5.08 -4.23 -0.98 -5.02 115.64 110.21 1j5k s THR 16 Ca 0.08 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1j5k s THR 16 Cb -0.12 -0.64 -0.01 0.00 1.34 0.00 0.00 72.50 73.07 1j5k s THR 16 CO 0.02 -0.55 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.28 1j5k s GLN 17 N -1.99 1.35 0.02 3.99 -0.21 -1.26 -0.50 119.66 121.07 1j5k s GLN 17 Ca -0.09 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.74 1j5k s GLN 17 Cb -0.07 -1.29 -0.02 0.00 1.00 0.00 0.00 33.01 32.64 1j5k s GLN 17 CO -0.02 0.33 -0.07 0.08 -2.12 0.00 0.00 175.29 173.49 1j5k s VAL 18 N -0.32 0.54 -0.03 1.09 1.01 0.84 -4.98 120.40 118.56 1j5k s VAL 18 Ca 0.05 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1j5k s VAL 18 Cb -0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1j5k s VAL 18 CO -0.00 -0.15 -0.23 0.42 0.00 0.00 0.00 175.10 175.13 1j5k s THR 19 N -0.84 2.27 0.04 3.92 -4.23 -1.26 0.34 115.64 115.88 1j5k s THR 19 Ca -0.04 -1.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.51 1j5k s THR 19 Cb -0.07 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 1j5k s THR 19 CO 0.00 0.58 -0.18 0.27 -0.54 0.00 0.00 174.62 174.75 1j5k s ILE 20 N -0.63 1.45 0.15 2.99 -4.36 -1.04 -4.92 121.20 114.84 1j5k s ILE 20 Ca 0.10 -1.09 -0.34 0.00 -0.26 0.00 0.00 60.65 59.06 1j5k s ILE 20 Cb -0.10 -1.27 -0.15 0.00 1.25 0.00 0.00 42.46 42.19 1j5k s ILE 20 CO -0.01 0.15 1.41 -2.65 0.24 0.00 0.00 174.94 174.09 1j5k n PRO 21 N 1.94 1.68 -0.31 0.37 -0.02 -1.26 -1.65 135.00 135.75 1j5k n PRO 21 Ca -0.17 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1j5k n PRO 21 Cb 0.54 -2.27 0.18 0.00 -0.02 0.00 0.00 33.50 31.93 1j5k n PRO 21 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1j5k h LYS 22 N 4.82 0.81 0.00 -0.52 3.64 -1.11 0.12 116.57 124.33 1j5k h LYS 22 Ca -0.46 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1j5k h LYS 22 Cb 1.30 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1j5k h LYS 22 CO 0.80 0.54 0.40 -0.44 -2.27 0.00 0.00 179.45 178.48 1j5k h ASP 23 N 0.84 0.00 0.00 4.20 5.19 -1.89 1.07 116.42 125.83 1j5k h ASP 23 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1j5k h ASP 23 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1j5k h ASP 23 CO -0.25 0.00 -0.72 0.18 -3.12 0.00 0.00 179.24 175.33 1j5k n LEU 24 N -2.06 0.68 -0.23 1.55 4.77 0.02 -4.56 117.00 117.18 1j5k n LEU 24 Ca -0.01 -0.49 0.03 0.00 -0.03 0.00 0.00 56.01 55.51 1j5k n LEU 24 Cb 0.42 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.64 1j5k n LEU 24 CO 0.05 0.17 0.83 0.00 -1.33 0.00 0.00 177.39 177.11 1j5k h ALA 25 N 2.07 0.69 -0.15 -1.18 0.00 0.13 0.69 119.26 121.52 1j5k h ALA 25 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1j5k h ALA 25 Cb 0.36 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1j5k h ALA 25 CO 0.00 -0.40 -0.37 0.78 0.00 0.00 0.00 179.25 179.26 1j5k h GLY 26 N 0.12 0.34 1.24 0.00 0.00 -1.80 0.17 103.07 103.13 1j5k h GLY 26 Ca 0.36 -0.31 -0.18 0.00 0.00 0.00 0.00 47.33 47.20 1j5k h GLY 26 CO -0.58 0.28 -0.56 1.48 0.00 0.00 0.00 176.54 177.15 1j5k h SER 27 N 0.26 0.89 0.20 0.19 4.64 -0.31 0.44 113.55 119.86 1j5k h SER 27 Ca 0.03 -0.48 -0.35 0.00 -0.47 0.00 0.00 61.79 60.51 1j5k h SER 27 Cb 0.78 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1j5k h SER 27 CO 0.06 1.26 -1.80 0.40 -0.87 0.00 0.00 176.83 175.88 1j5k h ILE 28 N 0.61 0.87 -0.25 0.95 2.04 0.20 -3.36 117.51 118.56 1j5k h ILE 28 Ca 0.01 -2.49 -0.13 0.00 1.00 0.00 0.00 64.86 63.25 1j5k h ILE 28 Cb 1.16 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1j5k h ILE 28 CO 0.12 0.86 -0.36 0.40 0.00 0.00 0.00 178.15 179.17 1j5k h ILE 29 N 0.09 1.31 0.00 -0.67 2.04 -0.75 -3.33 117.51 116.21 1j5k h ILE 29 Ca -0.36 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 63.94 1j5k h ILE 29 Cb 2.08 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1j5k h ILE 29 CO 0.15 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.41 1j5k n GLY 30 N 0.29 -1.39 3.76 5.37 0.00 0.15 -2.43 105.19 110.95 1j5k n GLY 30 Ca -0.05 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 1j5k n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j5k s LYS 31 N -1.93 4.75 0.00 1.61 2.20 -1.26 -3.23 119.74 121.88 1j5k s LYS 31 Ca 0.00 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 1j5k s LYS 31 Cb 0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1j5k s LYS 31 CO 0.00 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 1j5k n GLY 32 N 1.15 0.10 1.88 5.54 0.00 -1.26 -1.87 105.19 110.73 1j5k n GLY 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1j5k n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j5k n GLY 33 N -2.00 0.77 0.38 -0.02 0.00 -1.20 -4.89 105.19 98.23 1j5k n GLY 33 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1j5k n GLY 33 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1j5k h GLN 34 N 2.88 0.00 0.00 1.61 4.20 -1.55 0.70 115.11 122.95 1j5k h GLN 34 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1j5k h GLN 34 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1j5k h GLN 34 CO 0.00 0.00 -0.23 -0.09 -0.67 0.00 0.00 178.83 177.84 1j5k h ARG 35 N 0.00 0.00 0.00 1.46 9.65 -1.79 -2.64 114.38 121.06 1j5k h ARG 35 Ca 0.14 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1j5k h ARG 35 Cb 1.23 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1j5k h ARG 35 CO -0.00 0.07 -0.08 0.97 2.80 0.00 0.00 179.97 183.72 1j5k h ILE 36 N -1.00 0.75 0.12 1.20 2.10 -0.99 -1.36 117.51 118.33 1j5k h ILE 36 Ca -0.01 -0.32 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 1j5k h ILE 36 Cb 0.27 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 1j5k h ILE 36 CO -0.01 0.08 -0.06 0.50 -1.08 0.00 0.00 178.15 177.59 1j5k h LYS 37 N 0.00 -0.15 -0.93 2.19 3.64 0.24 -2.84 116.57 118.71 1j5k h LYS 37 Ca -0.00 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.62 1j5k h LYS 37 Cb 0.19 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1j5k h LYS 37 CO 0.01 -0.10 0.63 0.37 -2.27 0.00 0.00 179.45 178.09 1j5k h GLN 38 N -0.91 0.25 -0.22 1.90 4.15 -1.41 0.16 115.11 119.03 1j5k h GLN 38 Ca -0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1j5k h GLN 38 Cb 0.12 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1j5k h GLN 38 CO 0.03 0.17 0.11 0.82 -1.93 0.00 0.00 178.83 178.02 1j5k h ILE 39 N 0.26 1.13 0.00 2.39 2.04 -1.30 0.25 117.51 122.28 1j5k h ILE 39 Ca 0.48 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1j5k h ILE 39 Cb 1.43 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1j5k h ILE 39 CO -0.13 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.68 1j5k n ARG 40 N -4.85 0.05 -0.10 2.37 1.74 0.46 -1.27 116.66 115.06 1j5k n ARG 40 Ca -0.03 0.26 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 1j5k n ARG 40 Cb 0.09 -1.59 -0.12 0.00 -1.02 0.00 0.00 32.46 29.82 1j5k n ARG 40 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1j5k n HIS 41 N -1.69 0.39 0.07 -1.55 8.25 -0.56 -0.73 115.22 119.40 1j5k n HIS 41 Ca 0.04 0.10 -0.03 0.00 -0.26 0.00 0.00 57.72 57.57 1j5k n HIS 41 Cb 0.21 -1.05 0.22 0.00 1.12 0.00 0.00 29.99 30.49 1j5k n HIS 41 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1j5k h GLU 42 N -0.31 0.33 0.00 -0.41 4.81 -0.49 -3.22 114.58 115.29 1j5k h GLU 42 Ca -0.55 -0.14 -0.37 0.00 -0.13 0.00 0.00 59.36 58.17 1j5k h GLU 42 Cb 1.81 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 31.11 1j5k h GLU 42 CO -0.14 0.65 -2.35 0.45 -0.73 0.00 0.00 179.01 176.89 1j5k n SER 43 N -4.06 0.36 -0.02 1.04 2.88 -0.40 -4.99 113.62 108.43 1j5k n SER 43 Ca -0.01 0.02 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1j5k n SER 43 Cb 0.45 0.70 -0.00 0.00 -0.75 0.00 0.00 64.21 64.62 1j5k n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j5k n GLY 44 N 1.81 0.40 3.94 0.46 0.00 0.09 -4.75 105.19 107.14 1j5k n GLY 44 Ca -0.34 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 1j5k n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5k s ALA 45 N -2.01 3.54 0.03 4.61 0.00 -1.19 -4.98 121.76 121.76 1j5k s ALA 45 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1j5k s ALA 45 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1j5k s ALA 45 CO 0.00 -0.69 0.02 -1.12 0.00 0.00 0.00 175.76 173.97 1j5k s SER 46 N -4.31 5.19 -0.03 0.00 0.01 -1.14 -4.65 113.70 108.76 1j5k s SER 46 Ca 0.53 -0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.74 1j5k s SER 46 Cb -0.10 -1.34 0.03 0.00 0.21 0.00 0.00 66.02 64.82 1j5k s SER 46 CO 0.41 0.24 0.06 -0.63 0.41 0.00 0.00 173.24 173.73 1j5k s ILE 47 N -1.19 -0.07 -0.06 1.44 1.01 -1.26 -2.49 121.20 118.58 1j5k s ILE 47 Ca 0.23 0.24 0.05 0.00 0.00 0.00 0.00 60.65 61.16 1j5k s ILE 47 Cb -0.12 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.22 1j5k s ILE 47 CO 0.14 0.10 -0.20 -0.75 0.00 0.00 0.00 174.94 174.23 1j5k s LYS 48 N 1.25 2.21 -0.17 2.79 2.20 0.08 -4.96 119.74 123.13 1j5k s LYS 48 Ca -0.07 -0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1j5k s LYS 48 Cb -0.13 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 1j5k s LYS 48 CO -0.04 0.26 -0.15 0.42 -0.36 0.00 0.00 175.35 175.48 1j5k s ILE 49 N 0.08 2.56 0.95 5.43 1.01 -1.26 0.37 121.20 130.35 1j5k s ILE 49 Ca -0.07 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1j5k s ILE 49 Cb -0.14 -2.10 0.17 0.00 0.01 0.00 0.00 42.46 40.40 1j5k s ILE 49 CO 0.04 0.51 1.12 -1.81 0.00 0.00 0.00 174.94 174.80 1j5k s ASP 50 N 1.08 2.66 0.33 3.58 1.11 -1.09 -4.85 116.67 119.49 1j5k s ASP 50 Ca -0.00 2.04 -0.28 0.00 0.18 0.00 0.00 52.55 54.49 1j5k s ASP 50 Cb -0.14 -2.51 -0.13 0.00 1.07 0.00 0.00 42.92 41.21 1j5k s ASP 50 CO -0.05 -3.24 1.18 -0.62 1.18 0.00 0.00 175.17 173.62 1j5k n GLU 51 N -4.31 1.82 -1.55 8.23 1.02 -1.26 -4.74 120.64 119.84 1j5k n GLU 51 Ca 0.10 0.64 -0.45 0.00 -0.02 0.00 0.00 57.16 57.43 1j5k n GLU 51 Cb 0.53 -2.16 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 1j5k n GLU 51 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1j5k n PRO 52 N 0.55 1.08 -3.14 3.49 -0.02 -1.26 -4.88 135.00 130.82 1j5k n PRO 52 Ca 0.07 0.38 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 1j5k n PRO 52 Cb 0.35 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 1j5k n PRO 52 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j5k s LEU 53 N 0.94 4.47 -0.05 2.45 1.43 -1.26 -5.06 118.68 121.60 1j5k s LEU 53 Ca 0.60 1.30 -0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1j5k s LEU 53 Cb -0.75 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1j5k s LEU 53 CO 0.59 0.13 0.01 -1.61 0.23 0.00 0.00 176.35 175.69 1j5k s GLU 54 N -0.44 2.91 0.00 1.70 2.02 -1.26 -4.24 118.70 119.39 1j5k s GLU 54 Ca 0.33 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1j5k s GLU 54 Cb -0.20 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1j5k s GLU 54 CO 0.20 0.67 0.00 0.41 0.02 0.00 0.00 175.26 176.56 1j5k n GLY 55 N 1.76 0.77 3.03 -1.39 0.00 -1.26 -5.00 105.19 103.10 1j5k n GLY 55 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1j5k n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5k s SER 56 N -2.56 0.62 -0.56 1.61 0.15 -1.26 -5.05 113.70 106.65 1j5k s SER 56 Ca 0.00 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.14 1j5k s SER 56 Cb 0.00 0.06 0.45 0.00 -1.71 0.00 0.00 66.02 64.82 1j5k s SER 56 CO 0.00 -0.23 1.80 -0.62 1.20 0.00 0.00 173.24 175.39 1j5k n GLU 57 N 1.55 2.95 -3.77 5.44 1.02 -1.26 -4.88 120.64 121.69 1j5k n GLU 57 Ca -0.23 -3.54 -0.13 0.00 -0.02 0.00 0.00 57.16 53.24 1j5k n GLU 57 Cb 0.55 -2.29 -0.12 0.00 -0.02 0.00 0.00 31.44 29.57 1j5k n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1j5k s ASP 58 N -2.32 -0.28 0.25 1.62 1.01 -1.26 -0.49 116.67 115.19 1j5k s ASP 58 Ca 0.61 0.55 0.08 0.00 0.71 0.00 0.00 52.55 54.49 1j5k s ASP 58 Cb 0.48 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.91 1j5k s ASP 58 CO -0.00 -0.11 0.15 -0.13 0.21 0.00 0.00 175.17 175.29 1j5k s ARG 59 N 0.32 2.78 -0.22 8.23 0.52 -0.66 -4.47 118.95 125.45 1j5k s ARG 59 Ca -0.01 -1.14 -0.07 0.00 -0.52 0.00 0.00 55.73 53.99 1j5k s ARG 59 Cb -0.03 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 1j5k s ARG 59 CO -0.01 0.39 0.05 0.42 0.02 0.00 0.00 175.30 176.17 1j5k s ILE 60 N -2.17 4.37 -0.13 1.52 1.01 -1.26 -2.51 121.20 122.03 1j5k s ILE 60 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 1j5k s ILE 60 Cb -0.08 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1j5k s ILE 60 CO 0.24 0.39 -0.11 -0.63 0.00 0.00 0.00 174.94 174.83 1j5k s ILE 61 N 1.13 3.24 -0.16 2.92 1.01 0.15 -2.66 121.20 126.83 1j5k s ILE 61 Ca 0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1j5k s ILE 61 Cb -0.14 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1j5k s ILE 61 CO 0.03 0.52 -0.07 -0.89 0.00 0.00 0.00 174.94 174.53 1j5k s THR 62 N 0.34 3.51 -0.02 2.92 2.01 0.16 -0.11 115.64 124.44 1j5k s THR 62 Ca -0.09 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1j5k s THR 62 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1j5k s THR 62 CO 0.05 0.49 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.80 1j5k s ILE 63 N 0.58 3.90 -0.15 1.82 1.01 0.35 -0.74 121.20 127.96 1j5k s ILE 63 Ca -0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1j5k s ILE 63 Cb -0.15 -2.69 0.07 0.00 0.01 0.00 0.00 42.46 39.70 1j5k s ILE 63 CO 0.03 0.44 0.22 -0.89 0.00 0.00 0.00 174.94 174.74 1j5k s THR 64 N -0.99 -0.34 -1.52 2.92 2.01 -1.04 -2.31 115.64 114.36 1j5k s THR 64 Ca 0.17 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1j5k s THR 64 Cb -0.11 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1j5k s THR 64 CO 0.07 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 1j5k n GLY 65 N 5.33 -1.37 3.80 4.40 0.00 -1.24 -2.90 105.19 113.21 1j5k n GLY 65 Ca -0.05 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1j5k n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j5k s THR 66 N -2.78 3.70 0.30 2.61 -4.23 -1.26 -3.33 115.64 110.65 1j5k s THR 66 Ca 0.00 0.69 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 1j5k s THR 66 Cb 0.00 -3.27 0.29 0.00 1.34 0.00 0.00 72.50 70.87 1j5k s THR 66 CO 0.00 -0.59 1.76 -0.61 -0.54 0.00 0.00 174.62 174.64 1j5k h GLN 67 N -0.19 0.66 -0.44 3.99 4.15 -1.90 0.18 115.11 121.56 1j5k h GLN 67 Ca -0.45 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 58.99 1j5k h GLN 67 Cb 1.22 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 1j5k h GLN 67 CO 0.56 0.44 0.14 0.22 -1.93 0.00 0.00 178.83 178.25 1j5k h ASP 68 N 0.68 0.12 -0.37 -0.69 3.58 -1.92 1.47 116.42 119.30 1j5k h ASP 68 Ca 0.58 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 58.06 1j5k h ASP 68 Cb 0.95 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1j5k h ASP 68 CO -0.41 0.10 0.13 1.56 -2.88 0.00 0.00 179.24 177.73 1j5k h GLN 69 N 0.29 0.56 -0.41 0.28 4.20 -1.01 0.60 115.11 119.62 1j5k h GLN 69 Ca 0.21 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1j5k h GLN 69 Cb 0.22 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1j5k h GLN 69 CO -0.23 0.56 0.05 0.82 -0.67 0.00 0.00 178.83 179.37 1j5k h ILE 70 N 0.44 1.25 0.64 2.54 2.04 -0.45 0.46 117.51 124.43 1j5k h ILE 70 Ca 0.12 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1j5k h ILE 70 Cb 0.23 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1j5k h ILE 70 CO -0.01 0.31 -0.36 -0.61 0.00 0.00 0.00 178.15 177.49 1j5k h GLN 71 N 0.54 -0.90 -0.76 2.37 4.15 0.24 0.73 115.11 121.49 1j5k h GLN 71 Ca 0.12 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1j5k h GLN 71 Cb 0.40 0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 1j5k h GLN 71 CO 0.01 -0.60 0.48 -0.91 -1.93 0.00 0.00 178.83 175.88 1j5k h ASN 72 N -0.93 0.89 -0.01 -0.69 2.35 0.29 -2.46 115.58 115.02 1j5k h ASN 72 Ca -0.08 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1j5k h ASN 72 Cb 0.74 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1j5k h ASN 72 CO 0.11 0.67 -0.01 0.00 -1.65 0.00 0.00 177.43 176.54 1j5k h ALA 73 N 1.49 0.01 -0.83 -0.83 0.00 0.34 -3.01 119.26 116.44 1j5k h ALA 73 Ca 0.28 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j5k h ALA 73 Cb -0.08 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1j5k h ALA 73 CO -0.06 -0.20 0.53 1.96 0.00 0.00 0.00 179.25 181.49 1j5k h GLN 74 N -0.54 0.99 -0.97 0.00 4.20 0.60 -1.19 115.11 118.19 1j5k h GLN 74 Ca 0.00 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1j5k h GLN 74 Cb 0.58 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 1j5k h GLN 74 CO 0.00 0.65 0.64 -0.92 -0.67 0.00 0.00 178.83 178.54 1j5k h TYR 75 N 1.02 1.22 -0.37 2.96 3.20 -1.50 -1.77 116.97 121.73 1j5k h TYR 75 Ca 0.34 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 1j5k h TYR 75 Cb 0.03 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 1j5k h TYR 75 CO -0.03 0.75 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.95 1j5k h LEU 76 N 1.29 0.73 0.24 2.82 3.38 -1.13 -1.94 115.31 120.70 1j5k h LEU 76 Ca 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1j5k h LEU 76 Cb -0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1j5k h LEU 76 CO -0.09 0.93 -0.12 -0.07 0.09 0.00 0.00 178.44 179.19 1j5k h LEU 77 N 0.63 -0.27 -1.01 1.67 3.38 -0.40 -2.33 115.31 116.98 1j5k h LEU 77 Ca 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1j5k h LEU 77 Cb 0.72 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1j5k h LEU 77 CO 0.06 -0.11 0.42 -0.61 0.09 0.00 0.00 178.44 178.29 1j5k h GLN 78 N -0.42 1.12 -0.80 1.13 4.15 -1.42 -2.29 115.11 116.58 1j5k h GLN 78 Ca -0.03 -0.14 0.06 0.00 0.77 0.00 0.00 58.65 59.31 1j5k h GLN 78 Cb 0.32 -0.22 -0.06 0.00 0.21 0.00 0.00 27.48 27.73 1j5k h GLN 78 CO 0.05 0.83 0.49 -0.97 -1.93 0.00 0.00 178.83 177.30 1j5k h ASN 79 N 1.12 0.75 -0.46 -0.69 -1.24 -1.15 -1.90 115.58 112.02 1j5k h ASN 79 Ca 0.28 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.34 1j5k h ASN 79 Cb 0.05 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 1j5k h ASN 79 CO -0.04 0.48 0.25 0.28 -1.29 0.00 0.00 177.43 177.11 1j5k h SER 80 N 0.88 0.38 0.00 1.15 0.02 -0.86 0.11 113.55 115.24 1j5k h SER 80 Ca 0.36 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1j5k h SER 80 Cb 0.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1j5k h SER 80 CO -0.18 0.27 0.20 0.52 -1.14 0.00 0.00 176.83 176.51 1j5k n VAL 81 N -4.87 0.96 0.02 2.27 0.31 -0.72 -0.87 118.33 115.43 1j5k n VAL 81 Ca 0.03 0.65 -0.19 0.00 -0.01 0.00 0.00 64.34 64.82 1j5k n VAL 81 Cb 0.10 -1.65 -0.10 0.00 -0.91 0.00 0.00 33.84 31.28 1j5k n VAL 81 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1j5k h LYS 82 N 0.00 0.70 -0.17 5.55 3.64 -0.92 -3.24 116.57 122.13 1j5k h LYS 82 Ca 0.00 -0.71 -0.20 0.00 -1.27 0.00 0.00 60.65 58.47 1j5k h LYS 82 Cb 0.41 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1j5k h LYS 82 CO 0.00 1.30 -0.69 1.96 -2.27 0.00 0.00 179.45 179.75 1j5k h GLN 83 N 0.38 0.71 -0.95 1.90 4.20 -1.11 -3.14 115.11 117.12 1j5k h GLN 83 Ca -0.11 -0.53 0.02 0.00 0.06 0.00 0.00 58.65 58.09 1j5k h GLN 83 Cb 1.61 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 29.43 1j5k h GLN 83 CO 0.19 1.15 0.62 -0.92 -0.67 0.00 0.00 178.83 179.20 1j5k h TYR 84 N 0.51 1.17 0.00 2.96 3.20 -1.66 -3.54 116.97 119.61 1j5k h TYR 84 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1j5k h TYR 84 Cb 1.29 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1j5k h TYR 84 CO 0.07 0.70 0.00 0.43 -1.64 0.00 0.00 178.16 177.72