#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8k n ILE 2 N 0.00 0.00 -0.11 -1.44 3.06 -1.26 -3.90 119.36 115.71 1j8k n ILE 2 Ca 0.00 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.22 1j8k n ILE 2 Cb 0.00 -0.09 0.18 0.00 0.54 0.00 0.00 39.64 40.27 1j8k n ILE 2 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 1j8k h ASP 3 N -0.24 0.75 -4.62 9.51 3.04 -1.94 -3.45 116.42 119.48 1j8k h ASP 3 Ca 0.01 -0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1j8k h ASP 3 Cb 0.24 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 1j8k h ASP 3 CO 0.00 0.78 -0.96 0.54 -2.04 0.00 0.00 179.24 177.56 1j8k n ARG 4 N -4.25 -5.23 -1.43 4.15 1.74 -1.25 -4.91 116.66 105.48 1j8k n ARG 4 Ca 0.03 3.78 -0.27 0.00 -0.77 0.00 0.00 57.85 60.61 1j8k n ARG 4 Cb 0.26 -4.55 0.21 0.00 -1.02 0.00 0.00 32.46 27.36 1j8k n ARG 4 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1j8k n PRO 5 N 1.82 -1.95 0.09 5.56 -0.04 -1.26 -5.06 135.00 134.16 1j8k n PRO 5 Ca 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.67 1j8k n PRO 5 Cb 0.00 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1j8k n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j8k n LYS 6 N -4.02 0.00 -3.13 0.54 5.02 -1.26 -5.06 118.16 110.24 1j8k n LYS 6 Ca 0.15 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1j8k n LYS 6 Cb 0.54 -0.28 -0.00 0.00 -0.02 0.00 0.00 35.03 35.27 1j8k n LYS 6 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1j8k s GLY 7 N -4.48 -1.28 0.96 0.72 0.00 -1.26 -5.04 107.32 96.94 1j8k s GLY 7 Ca 0.00 0.73 -0.13 0.00 0.00 0.00 0.00 44.72 45.32 1j8k s GLY 7 CO 0.00 3.79 0.11 1.47 0.00 0.00 0.00 173.10 178.47 1j8k n LEU 8 N 4.66 -1.65 -3.86 0.66 -0.00 -1.26 -4.88 117.00 110.67 1j8k n LEU 8 Ca 0.08 -0.29 -0.11 0.00 -0.00 0.00 0.00 56.01 55.69 1j8k n LEU 8 Cb 0.57 -0.73 -0.11 0.00 -0.00 0.00 0.00 43.42 43.15 1j8k n LEU 8 CO -0.04 -3.03 -0.20 0.00 -0.00 0.00 0.00 177.39 174.12 1j8k s ALA 9 N -2.08 -0.29 -0.12 1.47 0.00 0.25 -4.98 121.76 116.01 1j8k s ALA 9 Ca 0.34 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 1j8k s ALA 9 Cb -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1j8k s ALA 9 CO 0.35 -0.15 0.36 -0.06 0.00 0.00 0.00 175.76 176.26 1j8k s PHE 10 N -0.86 3.52 -0.27 0.00 0.08 -1.26 -1.68 117.98 117.51 1j8k s PHE 10 Ca -0.09 0.74 -0.14 0.00 0.12 0.00 0.00 56.93 57.55 1j8k s PHE 10 Cb -0.05 -2.38 -0.11 0.00 -0.57 0.00 0.00 43.02 39.90 1j8k s PHE 10 CO 0.01 0.29 -0.35 2.41 -0.10 0.00 0.00 175.22 177.48 1j8k n THR 11 N 3.30 1.50 -3.59 0.64 -1.04 -0.82 -4.98 114.28 109.28 1j8k n THR 11 Ca -0.11 -0.36 -0.09 0.00 -2.04 0.00 0.00 64.05 61.45 1j8k n THR 11 Cb 0.52 -1.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.04 1j8k n THR 11 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j8k s ASP 12 N -7.38 -0.11 -0.23 8.00 2.15 -1.21 -5.02 116.67 112.87 1j8k s ASP 12 Ca -0.38 0.80 -0.16 0.00 0.43 0.00 0.00 52.55 53.25 1j8k s ASP 12 Cb 0.14 1.25 -0.04 0.00 -0.30 0.00 0.00 42.92 43.98 1j8k s ASP 12 CO 0.48 -0.25 0.40 0.54 -0.17 0.00 0.00 175.17 176.17 1j8k s VAL 13 N 2.58 5.18 -0.10 1.11 0.11 -1.26 -1.04 120.40 126.98 1j8k s VAL 13 Ca 0.02 0.67 0.03 0.00 -2.93 0.00 0.00 61.98 59.77 1j8k s VAL 13 Cb -0.13 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 1j8k s VAL 13 CO -0.13 0.21 -0.20 -1.81 -3.33 0.00 0.00 175.10 169.85 1j8k s ASP 14 N 1.26 3.48 0.52 3.54 1.11 0.81 -4.53 116.67 122.86 1j8k s ASP 14 Ca 0.18 -0.45 0.39 0.00 0.18 0.00 0.00 52.55 52.84 1j8k s ASP 14 Cb -0.15 -1.41 1.56 0.00 1.07 0.00 0.00 42.92 43.99 1j8k s ASP 14 CO 0.08 0.18 1.70 1.62 1.18 0.00 0.00 175.17 179.93 1j8k h VAL 15 N 5.47 0.25 -0.18 -1.27 3.04 -1.81 1.02 116.25 122.77 1j8k h VAL 15 Ca -0.24 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1j8k h VAL 15 Cb 1.22 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1j8k h VAL 15 CO 0.50 0.01 0.00 -0.67 -1.01 0.00 0.00 177.57 176.40 1j8k n ASP 16 N -4.21 3.29 -3.62 3.17 2.03 -1.26 -4.18 116.55 111.77 1j8k n ASP 16 Ca 0.33 -2.91 -0.05 0.00 0.52 0.00 0.00 54.79 52.68 1j8k n ASP 16 Cb 1.49 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 41.39 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1j8k s SER 17 N -2.09 -0.14 -0.10 1.67 0.15 0.35 0.26 113.70 113.80 1j8k s SER 17 Ca 0.36 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 57.12 1j8k s SER 17 Cb 0.29 0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1j8k s SER 17 CO 0.07 -0.14 0.05 -0.63 1.20 0.00 0.00 173.24 173.79 1j8k s ILE 18 N -1.16 0.14 -0.49 6.45 -1.09 0.76 0.28 121.20 126.08 1j8k s ILE 18 Ca 0.06 0.05 -0.23 0.00 -2.23 0.00 0.00 60.65 58.30 1j8k s ILE 18 Cb -0.01 -0.49 0.04 0.00 -1.58 0.00 0.00 42.46 40.41 1j8k s ILE 18 CO -0.05 0.04 0.83 -0.75 -1.23 0.00 0.00 174.94 173.78 1j8k s LYS 19 N 2.06 3.34 0.16 2.79 2.20 -0.21 -2.27 119.74 127.81 1j8k s LYS 19 Ca 0.03 -0.26 0.08 0.00 -0.36 0.00 0.00 55.97 55.47 1j8k s LYS 19 Cb -0.14 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 1j8k s LYS 19 CO -0.06 -1.27 -0.11 0.96 -0.36 0.00 0.00 175.35 174.52 1j8k s ILE 20 N 3.46 3.19 -0.05 5.43 -4.36 -1.05 -1.94 121.20 125.88 1j8k s ILE 20 Ca 0.28 -1.55 -0.02 0.00 -0.26 0.00 0.00 60.65 59.11 1j8k s ILE 20 Cb -0.13 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.06 1j8k s ILE 20 CO 0.20 -0.03 0.04 0.00 0.24 0.00 0.00 174.94 175.39 1j8k s ALA 21 N -1.52 0.36 0.06 2.27 0.00 -0.68 -0.51 121.76 121.74 1j8k s ALA 21 Ca 0.23 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1j8k s ALA 21 Cb -0.10 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1j8k s ALA 21 CO 0.14 -0.44 0.04 -2.67 0.00 0.00 0.00 175.76 172.84 1j8k n TRP 22 N 5.14 -1.51 -2.52 0.00 2.14 -0.68 -0.58 117.44 119.43 1j8k n TRP 22 Ca -0.07 -0.24 -0.43 0.00 2.07 0.00 0.00 57.50 58.83 1j8k n TRP 22 Cb 0.50 -0.05 -0.02 0.00 -0.81 0.00 0.00 31.31 30.93 1j8k n TRP 22 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1j8k s GLU 23 N -2.24 3.81 1.02 -2.67 2.56 -1.26 -4.79 118.70 115.13 1j8k s GLU 23 Ca 0.03 0.91 -0.21 0.00 0.00 0.00 0.00 54.97 55.70 1j8k s GLU 23 Cb -0.00 -3.89 -0.10 0.00 2.00 0.00 0.00 34.13 32.14 1j8k s GLU 23 CO 0.02 -1.25 -0.81 0.43 -0.56 0.00 0.00 175.26 173.09 1j8k n SER 24 N 7.78 -3.63 -4.76 -1.70 7.64 -1.26 -4.90 113.62 112.78 1j8k n SER 24 Ca 0.14 0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.78 1j8k n SER 24 Cb 0.48 -0.75 0.10 0.00 -1.01 0.00 0.00 64.21 63.03 1j8k n SER 24 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1j8k s PRO 25 N -2.48 2.02 0.14 1.43 0.04 -1.26 -5.00 135.00 129.90 1j8k s PRO 25 Ca 0.44 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1j8k s PRO 25 Cb -0.06 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1j8k s PRO 25 CO 0.71 -1.76 0.00 1.04 0.04 0.00 0.00 177.00 177.03 1j8k n GLN 26 N -3.58 0.00 0.00 4.56 6.02 -1.26 -5.02 117.38 118.10 1j8k n GLN 26 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1j8k n GLN 26 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 1j8k n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j8k n GLY 27 N 1.18 -2.75 2.77 1.08 0.00 -1.26 -4.87 105.19 101.34 1j8k n GLY 27 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1j8k n GLY 27 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j8k s GLN 28 N -0.58 0.81 -0.35 1.61 0.74 -1.26 -5.01 119.66 115.63 1j8k s GLN 28 Ca 0.00 -0.76 -0.26 0.00 0.05 0.00 0.00 55.36 54.39 1j8k s GLN 28 Cb 0.00 -0.03 0.01 0.00 1.10 0.00 0.00 33.01 34.10 1j8k s GLN 28 CO 0.00 -1.02 0.93 0.08 -0.55 0.00 0.00 175.29 174.74 1j8k s VAL 29 N 1.00 4.60 -1.66 1.34 1.01 -1.26 -4.60 120.40 120.84 1j8k s VAL 29 Ca 0.27 1.31 0.28 0.00 0.00 0.00 0.00 61.98 63.83 1j8k s VAL 29 Cb 0.03 -4.32 0.37 0.00 0.00 0.00 0.00 36.38 32.46 1j8k s VAL 29 CO -0.07 -0.48 1.73 -0.24 0.00 0.00 0.00 175.10 176.05 1j8k n SER 30 N 6.70 0.68 -3.57 3.32 2.88 -0.27 -4.92 113.62 118.43 1j8k n SER 30 Ca 0.08 -0.67 -0.06 0.00 -1.33 0.00 0.00 58.87 56.88 1j8k n SER 30 Cb 0.48 0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 1j8k n SER 30 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1j8k s ARG 31 N -2.51 0.47 -0.21 -1.46 0.52 -1.24 -4.83 118.95 109.69 1j8k s ARG 31 Ca 0.26 -0.12 -0.00 0.00 -0.52 0.00 0.00 55.73 55.35 1j8k s ARG 31 Cb 0.20 0.22 0.06 0.00 0.52 0.00 0.00 34.95 35.94 1j8k s ARG 31 CO 0.50 -0.20 -0.03 -0.47 0.02 0.00 0.00 175.30 175.12 1j8k s TYR 32 N -2.33 1.94 -0.26 -0.53 5.04 -1.26 -1.03 117.35 118.92 1j8k s TYR 32 Ca 0.07 -1.41 -0.10 0.00 -2.44 0.00 0.00 57.07 53.18 1j8k s TYR 32 Cb -0.01 -1.40 -0.05 0.00 0.35 0.00 0.00 41.96 40.85 1j8k s TYR 32 CO -0.05 -0.71 0.16 0.50 -1.34 0.00 0.00 175.55 174.11 1j8k s ARG 33 N 1.55 3.98 -0.18 4.97 3.52 -0.73 -4.00 118.95 128.06 1j8k s ARG 33 Ca -0.03 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.26 1j8k s ARG 33 Cb -0.18 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.68 1j8k s ARG 33 CO -0.07 -0.06 -0.13 0.08 -0.81 0.00 0.00 175.30 174.32 1j8k s VAL 34 N 1.38 1.69 0.03 7.11 1.01 0.13 -1.82 120.40 129.93 1j8k s VAL 34 Ca 0.07 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1j8k s VAL 34 Cb -0.15 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1j8k s VAL 34 CO 0.07 0.29 -0.05 0.42 0.00 0.00 0.00 175.10 175.83 1j8k s THR 35 N 1.40 3.75 -0.06 3.92 -4.23 -0.85 -0.81 115.64 118.76 1j8k s THR 35 Ca 0.01 -0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 59.59 1j8k s THR 35 Cb -0.15 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.03 1j8k s THR 35 CO -0.09 0.31 0.22 -0.72 -0.54 0.00 0.00 174.62 173.80 1j8k s TYR 36 N -1.09 -0.19 0.00 3.99 1.13 -0.74 0.45 117.35 120.90 1j8k s TYR 36 Ca 0.19 0.43 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 1j8k s TYR 36 Cb -0.11 0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 1j8k s TYR 36 CO 0.10 -0.19 0.00 -1.13 -2.51 0.00 0.00 175.55 171.82 1j8k n SER 37 N 2.44 0.00 -3.94 -0.18 3.41 -0.97 0.42 113.62 114.80 1j8k n SER 37 Ca -0.16 -0.45 -0.09 0.00 -0.26 0.00 0.00 58.87 57.91 1j8k n SER 37 Cb 0.57 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 1j8k n SER 37 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1j8k s SER 38 N 0.39 0.19 -0.16 4.04 0.15 0.21 -2.06 113.70 116.47 1j8k s SER 38 Ca 0.00 -0.54 -0.05 0.00 0.70 0.00 0.00 55.95 56.06 1j8k s SER 38 Cb 0.00 0.22 -0.17 0.00 -1.71 0.00 0.00 66.02 64.36 1j8k s SER 38 CO 0.00 -0.49 2.66 -0.81 1.20 0.00 0.00 173.24 175.79 1j8k n PRO 39 N 0.81 1.58 0.00 5.44 -0.04 -1.26 -3.51 135.00 138.02 1j8k n PRO 39 Ca -0.19 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 1j8k n PRO 39 Cb 0.58 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1j8k n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1j8k n GLU 40 N 2.84 0.00 -0.19 0.54 -0.58 -1.26 -4.97 120.64 117.02 1j8k n GLU 40 Ca 0.34 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1j8k n GLU 40 Cb 0.58 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.55 1j8k n GLU 40 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1j8k h ASP 41 N 0.00 0.01 -0.02 1.62 5.19 -1.98 -3.48 116.42 117.76 1j8k h ASP 41 Ca 0.00 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1j8k h ASP 41 Cb 0.00 0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1j8k h ASP 41 CO 0.00 0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.75 1j8k n GLY 42 N -1.31 0.83 3.41 2.75 0.00 -1.23 -4.97 105.19 104.68 1j8k n GLY 42 Ca 0.08 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 43.88 1j8k n GLY 42 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j8k s ILE 43 N -1.96 1.36 0.02 -0.61 2.07 -1.26 0.67 121.20 121.48 1j8k s ILE 43 Ca 0.00 -2.06 0.00 0.00 -1.41 0.00 0.00 60.65 57.18 1j8k s ILE 43 Cb 0.00 -2.52 -0.02 0.00 0.13 0.00 0.00 42.46 40.05 1j8k s ILE 43 CO 0.00 -0.22 -0.03 -2.28 -1.91 0.00 0.00 174.94 170.49 1j8k s HIS 44 N -3.19 0.29 -0.05 3.50 5.65 0.17 -4.93 115.29 116.73 1j8k s HIS 44 Ca 0.31 -0.50 0.04 0.00 0.25 0.00 0.00 55.06 55.16 1j8k s HIS 44 Cb 0.06 -0.20 -0.02 0.00 -1.18 0.00 0.00 32.58 31.23 1j8k s HIS 44 CO 0.12 -0.17 -0.16 -1.21 -0.65 0.00 0.00 174.74 172.67 1j8k s GLU 45 N -1.40 2.46 -0.18 2.88 2.02 -1.26 -1.79 118.70 121.44 1j8k s GLU 45 Ca -0.14 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.09 1j8k s GLU 45 Cb -0.09 -2.34 0.06 0.00 0.10 0.00 0.00 34.13 31.86 1j8k s GLU 45 CO -0.01 0.61 0.05 -1.17 0.02 0.00 0.00 175.26 174.76 1j8k s LEU 46 N -0.70 0.88 -0.38 1.80 2.96 0.01 -5.01 118.68 118.24 1j8k s LEU 46 Ca 0.11 -0.69 0.13 0.00 -0.22 0.00 0.00 54.13 53.46 1j8k s LEU 46 Cb -0.11 -0.47 0.39 0.00 0.50 0.00 0.00 46.19 46.51 1j8k s LEU 46 CO 0.00 -0.31 0.87 2.22 -1.32 0.00 0.00 176.35 177.81 1j8k n PHE 47 N 5.13 1.23 -2.20 5.38 1.16 -1.26 0.17 117.46 127.07 1j8k n PHE 47 Ca -0.08 -3.40 -0.40 0.00 -1.87 0.00 0.00 57.45 51.69 1j8k n PHE 47 Cb 0.48 -0.38 -0.03 0.00 -1.61 0.00 0.00 39.48 37.94 1j8k n PHE 47 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1j8k s PRO 48 N -2.89 2.97 0.05 3.97 0.04 -1.26 -4.69 135.00 133.20 1j8k s PRO 48 Ca 0.37 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 61.68 1j8k s PRO 48 Cb 0.39 -4.27 -0.14 0.00 0.04 0.00 0.00 34.50 30.52 1j8k s PRO 48 CO -0.05 -2.34 0.66 0.00 0.04 0.00 0.00 177.00 175.31 1j8k n ALA 49 N 11.14 -2.72 -1.44 8.56 0.00 -1.26 -4.65 120.51 130.14 1j8k n ALA 49 Ca 0.16 0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 1j8k n ALA 49 Cb 0.50 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.73 1j8k n ALA 49 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j8k s PRO 50 N -0.27 2.67 -0.23 0.00 0.04 -1.26 -4.93 135.00 131.02 1j8k s PRO 50 Ca 0.61 1.16 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 1j8k s PRO 50 Cb -0.87 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 31.55 1j8k s PRO 50 CO 0.43 -1.32 -0.10 -3.47 0.04 0.00 0.00 177.00 172.57 1j8k n ASP 51 N -3.02 1.99 0.00 6.66 2.03 -1.26 -4.99 116.55 117.96 1j8k n ASP 51 Ca 0.09 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1j8k n ASP 51 Cb 0.53 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1j8k n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j8k n GLY 52 N 1.81 1.81 0.77 0.27 0.00 -1.26 -4.92 105.19 103.68 1j8k n GLY 52 Ca -0.44 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1j8k n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j8k n GLU 53 N 0.00 2.03 -2.67 1.61 4.71 -1.26 -4.87 120.64 120.19 1j8k n GLU 53 Ca 0.00 -1.53 -0.43 0.00 -0.01 0.00 0.00 57.16 55.19 1j8k n GLU 53 Cb 0.00 -1.45 -0.02 0.00 -1.01 0.00 0.00 31.44 28.96 1j8k n GLU 53 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1j8k s GLU 54 N -1.76 4.32 0.00 3.49 4.04 -1.26 -4.85 118.70 122.67 1j8k s GLU 54 Ca 0.34 1.37 0.00 0.00 0.04 0.00 0.00 54.97 56.73 1j8k s GLU 54 Cb 0.20 -3.61 0.00 0.00 0.02 0.00 0.00 34.13 30.74 1j8k s GLU 54 CO 0.29 -0.52 0.34 -0.25 -1.84 0.00 0.00 175.26 173.28 1j8k n ASP 55 N 5.87 0.58 -3.88 0.83 8.00 -1.26 -4.72 116.55 121.97 1j8k n ASP 55 Ca 0.11 -1.09 -0.16 0.00 0.71 0.00 0.00 54.79 54.36 1j8k n ASP 55 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 1j8k n ASP 55 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1j8k s THR 56 N -0.09 0.06 0.02 -3.53 -4.23 -1.26 -1.69 115.64 104.92 1j8k s THR 56 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1j8k s THR 56 Cb 0.00 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 1j8k s THR 56 CO 0.00 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 174.01 1j8k s ALA 57 N -3.82 0.55 -1.02 3.99 0.00 0.33 -4.97 121.76 116.82 1j8k s ALA 57 Ca 0.39 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 1j8k s ALA 57 Cb 0.05 -0.04 0.26 0.00 0.00 0.00 0.00 23.12 23.38 1j8k s ALA 57 CO 0.18 0.05 0.98 -2.00 0.00 0.00 0.00 175.76 174.97 1j8k s GLU 58 N -0.88 3.88 -0.44 0.00 2.12 -1.26 -2.54 118.70 119.57 1j8k s GLU 58 Ca -0.04 -3.13 -0.29 0.00 0.36 0.00 0.00 54.97 51.87 1j8k s GLU 58 Cb -0.06 -4.38 0.02 0.00 0.26 0.00 0.00 34.13 29.97 1j8k s GLU 58 CO 0.00 -1.25 1.27 -0.51 -0.54 0.00 0.00 175.26 174.23 1j8k s LEU 59 N -1.09 3.61 -0.07 2.70 1.43 -0.96 -4.90 118.68 119.40 1j8k s LEU 59 Ca 0.28 0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1j8k s LEU 59 Cb -0.10 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.60 1j8k s LEU 59 CO -0.09 -1.34 -0.04 -1.10 0.23 0.00 0.00 176.35 174.01 1j8k s GLN 60 N 4.69 0.92 0.00 1.70 -0.21 -1.26 0.27 119.66 125.77 1j8k s GLN 60 Ca 0.54 -0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.86 1j8k s GLN 60 Cb -0.10 -1.06 0.00 0.00 1.00 0.00 0.00 33.01 32.84 1j8k s GLN 60 CO 0.32 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 1j8k n GLY 61 N 4.63 0.73 0.00 3.09 0.00 0.72 -4.91 105.19 109.45 1j8k n GLY 61 Ca -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1j8k n GLY 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j8k n LEU 62 N 0.00 0.00 -4.59 0.99 4.77 -1.25 -4.97 117.00 111.96 1j8k n LEU 62 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1j8k n LEU 62 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1j8k n LEU 62 CO 0.00 0.00 -0.38 -0.13 -1.33 0.00 0.00 177.39 175.55 1j8k s ARG 63 N 1.49 2.75 0.39 3.23 3.00 -1.26 -4.85 118.95 123.70 1j8k s ARG 63 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 55.73 54.95 1j8k s ARG 63 Cb 0.00 -2.59 -0.10 0.00 0.00 0.00 0.00 34.95 32.25 1j8k s ARG 63 CO 0.00 0.66 0.96 -1.25 0.00 0.00 0.00 175.30 175.68 1j8k s PRO 64 N -0.85 4.32 -0.77 3.54 0.04 -1.26 -4.26 135.00 135.76 1j8k s PRO 64 Ca 0.13 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1j8k s PRO 64 Cb -0.11 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1j8k s PRO 64 CO 0.02 0.04 0.69 0.41 0.04 0.00 0.00 177.00 178.20 1j8k n GLY 65 N -0.11 -0.92 3.64 0.56 0.00 -1.26 -4.98 105.19 102.11 1j8k n GLY 65 Ca 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 1j8k n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j8k s SER 66 N -3.13 -0.47 -0.66 1.61 1.04 -1.26 -5.00 113.70 105.83 1j8k s SER 66 Ca 0.23 0.77 -0.25 0.00 0.48 0.00 0.00 55.95 57.18 1j8k s SER 66 Cb -0.03 1.13 0.05 0.00 0.10 0.00 0.00 66.02 67.27 1j8k s SER 66 CO 0.62 -0.12 1.09 -0.70 0.98 0.00 0.00 173.24 175.11 1j8k s GLU 67 N 1.15 3.22 -0.23 4.02 2.56 -1.26 -2.54 118.70 125.62 1j8k s GLU 67 Ca -0.07 -0.41 -0.29 0.00 0.00 0.00 0.00 54.97 54.20 1j8k s GLU 67 Cb -0.04 -4.16 0.00 0.00 2.00 0.00 0.00 34.13 31.94 1j8k s GLU 67 CO -0.14 -1.86 1.11 0.71 -0.56 0.00 0.00 175.26 174.53 1j8k s TYR 68 N 4.71 3.16 -0.78 5.30 2.02 -0.60 -4.77 117.35 126.39 1j8k s TYR 68 Ca 0.30 1.29 -0.23 0.00 -0.37 0.00 0.00 57.07 58.06 1j8k s TYR 68 Cb -0.12 -3.42 0.07 0.00 -0.40 0.00 0.00 41.96 38.09 1j8k s TYR 68 CO 0.15 -0.87 1.13 0.99 -1.57 0.00 0.00 175.55 175.38 1j8k s THR 69 N 3.39 4.21 -0.15 -0.71 2.01 -0.87 -2.85 115.64 120.67 1j8k s THR 69 Ca 0.47 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1j8k s THR 69 Cb -0.16 -4.81 -0.04 0.00 0.01 0.00 0.00 72.50 67.50 1j8k s THR 69 CO 0.10 -1.63 0.12 -0.69 -0.69 0.00 0.00 174.62 171.84 1j8k s VAL 70 N 4.29 5.37 -0.12 3.82 1.01 -0.73 -2.29 120.40 131.75 1j8k s VAL 70 Ca 0.30 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1j8k s VAL 70 Cb -0.10 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1j8k s VAL 70 CO 0.04 0.54 -0.20 -0.44 0.00 0.00 0.00 175.10 175.04 1j8k s SER 71 N -0.40 3.36 -0.16 3.32 0.01 0.17 0.20 113.70 120.20 1j8k s SER 71 Ca 0.11 -0.50 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1j8k s SER 71 Cb -0.12 -1.48 -0.05 0.00 0.21 0.00 0.00 66.02 64.59 1j8k s SER 71 CO 0.01 0.14 0.13 -0.69 0.41 0.00 0.00 173.24 173.25 1j8k s VAL 72 N 0.45 5.44 -0.01 3.43 1.01 -0.60 -2.01 120.40 128.12 1j8k s VAL 72 Ca -0.14 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1j8k s VAL 72 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1j8k s VAL 72 CO 0.06 0.52 0.02 -0.69 0.00 0.00 0.00 175.10 175.01 1j8k s VAL 73 N -0.27 -0.01 0.49 2.92 1.01 -0.76 0.11 120.40 123.90 1j8k s VAL 73 Ca 0.11 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1j8k s VAL 73 Cb -0.11 -0.04 0.02 0.00 0.00 0.00 0.00 36.38 36.24 1j8k s VAL 73 CO 0.01 0.01 0.70 0.00 0.00 0.00 0.00 175.10 175.81 1j8k s ALA 74 N 0.11 3.96 0.04 5.51 0.00 -1.26 -1.78 121.76 128.35 1j8k s ALA 74 Ca -0.01 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1j8k s ALA 74 Cb -0.01 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1j8k s ALA 74 CO -0.00 -0.54 -0.05 -0.51 0.00 0.00 0.00 175.76 174.66 1j8k s LEU 75 N -4.61 2.32 0.00 0.00 1.43 -0.20 -4.38 118.68 113.24 1j8k s LEU 75 Ca 0.54 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1j8k s LEU 75 Cb -0.10 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1j8k s LEU 75 CO 0.37 -0.33 0.00 1.57 0.23 0.00 0.00 176.35 178.19 1j8k n HIS 76 N 1.12 0.00 -0.08 0.29 -0.00 -1.26 -1.12 115.22 114.17 1j8k n HIS 76 Ca -0.21 0.00 0.26 0.00 0.46 0.00 0.00 57.72 58.23 1j8k n HIS 76 Cb 0.56 0.00 0.65 0.00 -0.12 0.00 0.00 29.99 31.08 1j8k n HIS 76 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1j8k h ASP 77 N 0.00 0.00 0.00 0.26 5.19 -1.99 -3.37 116.42 116.51 1j8k h ASP 77 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1j8k h ASP 77 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1j8k h ASP 77 CO 0.00 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.59 1j8k n ASP 78 N -3.60 0.00 -4.50 6.45 8.00 -1.26 -5.13 116.55 116.50 1j8k n ASP 78 Ca 0.16 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 1j8k n ASP 78 Cb 1.04 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.04 1j8k n ASP 78 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1j8k s MET 79 N 0.00 1.80 -0.51 -1.24 1.75 -1.26 -5.06 119.30 114.78 1j8k s MET 79 Ca 0.00 -1.53 0.06 0.00 -1.25 0.00 0.00 55.69 52.97 1j8k s MET 79 Cb 0.00 -1.94 0.37 0.00 2.84 0.00 0.00 34.83 36.10 1j8k s MET 79 CO 0.00 0.38 0.98 0.39 -0.65 0.00 0.00 175.02 176.12 1j8k n GLU 80 N -0.23 3.04 -1.03 4.11 -0.58 -1.26 -4.40 120.64 120.29 1j8k n GLU 80 Ca -0.09 -4.59 -0.36 0.00 -0.42 0.00 0.00 57.16 51.70 1j8k n GLU 80 Cb 0.58 -2.16 0.06 0.00 -0.57 0.00 0.00 31.44 29.34 1j8k n GLU 80 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1j8k n SER 81 N -0.26 -4.27 -4.64 1.62 2.88 -1.26 -4.61 113.62 103.08 1j8k n SER 81 Ca 0.32 0.33 -0.62 0.00 -1.33 0.00 0.00 58.87 57.57 1j8k n SER 81 Cb 0.50 -0.92 -0.09 0.00 -0.75 0.00 0.00 64.21 62.95 1j8k n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j8k n GLN 82 N 1.07 0.25 -2.13 -1.46 6.02 -1.26 -4.77 117.38 115.11 1j8k n GLN 82 Ca 0.03 0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1j8k n GLN 82 Cb 0.53 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 30.14 1j8k n GLN 82 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1j8k s PRO 83 N 1.71 3.42 0.87 -1.09 0.04 -1.26 -4.83 135.00 133.86 1j8k s PRO 83 Ca 0.97 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 1j8k s PRO 83 Cb -1.31 -4.14 0.09 0.00 0.04 0.00 0.00 34.50 29.18 1j8k s PRO 83 CO 0.67 -1.75 0.98 -0.11 0.04 0.00 0.00 177.00 176.83 1j8k n LEU 84 N 9.76 2.88 -4.40 -3.56 7.94 0.31 -4.75 117.00 125.18 1j8k n LEU 84 Ca 0.21 0.48 -0.33 0.00 -1.11 0.00 0.00 56.01 55.26 1j8k n LEU 84 Cb 0.47 -1.42 -0.14 0.00 0.53 0.00 0.00 43.42 42.86 1j8k n LEU 84 CO 0.69 -2.34 -0.46 -0.63 -1.11 0.00 0.00 177.39 173.55 1j8k s ILE 85 N -2.33 2.99 -0.43 1.96 -1.09 -1.26 -1.56 121.20 119.47 1j8k s ILE 85 Ca 0.67 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1j8k s ILE 85 Cb -0.26 -2.21 0.18 0.00 -1.58 0.00 0.00 42.46 38.59 1j8k s ILE 85 CO 0.57 0.55 0.44 0.61 -1.23 0.00 0.00 174.94 175.88 1j8k n GLY 86 N 3.06 1.54 3.91 6.18 0.00 0.52 -4.75 105.19 115.65 1j8k n GLY 86 Ca -0.18 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1j8k n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8k s THR 87 N 0.18 5.20 -0.15 2.61 2.01 -1.26 -1.77 115.64 122.45 1j8k s THR 87 Ca 0.32 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1j8k s THR 87 Cb 0.04 -3.65 0.10 0.00 0.01 0.00 0.00 72.50 68.99 1j8k s THR 87 CO -0.16 -0.01 0.84 -1.10 -0.69 0.00 0.00 174.62 173.50 1j8k s GLN 88 N -2.83 0.79 -0.36 4.92 -1.52 -1.13 -4.96 119.66 114.57 1j8k s GLN 88 Ca 0.40 0.39 -0.16 0.00 -1.95 0.00 0.00 55.36 54.04 1j8k s GLN 88 Cb -0.12 0.38 -0.00 0.00 -0.22 0.00 0.00 33.01 33.04 1j8k s GLN 88 CO 0.26 -0.21 0.39 0.45 -0.25 0.00 0.00 175.29 175.94 1j8k s SER 89 N -0.70 6.19 0.43 5.90 0.15 -1.26 -1.55 113.70 122.85 1j8k s SER 89 Ca -0.04 -0.33 -0.21 0.00 0.70 0.00 0.00 55.95 56.07 1j8k s SER 89 Cb -0.02 -2.21 -0.15 0.00 -1.71 0.00 0.00 66.02 61.94 1j8k s SER 89 CO 0.03 -0.41 0.16 0.35 1.20 0.00 0.00 173.24 174.58 1j8k n THR 90 N 5.30 0.84 -0.82 6.45 -2.24 -1.05 -4.79 114.28 117.96 1j8k n THR 90 Ca -0.08 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 60.99 1j8k n THR 90 Cb 0.49 -0.13 0.10 0.00 -2.10 0.00 0.00 70.33 68.69 1j8k n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8k n ALA 91 N -1.09 5.16 -0.22 6.98 0.00 -1.26 -4.50 120.51 125.57 1j8k n ALA 91 Ca 0.11 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1j8k n ALA 91 Cb 0.41 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1j8k n ALA 91 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1j8k n ILE 92 N -0.47 0.00 -2.92 0.00 -6.64 -1.26 -4.47 119.36 103.60 1j8k n ILE 92 Ca 0.44 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.99 1j8k n ILE 92 Cb 1.01 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 39.16 1j8k n ILE 92 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1j8k s PRO 93 N -1.81 3.18 0.00 6.28 0.04 -1.26 -4.23 135.00 137.21 1j8k s PRO 93 Ca 0.00 -0.68 0.27 0.00 0.04 0.00 0.00 61.00 60.63 1j8k s PRO 93 Cb 0.00 -4.15 0.77 0.00 0.04 0.00 0.00 34.50 31.16 1j8k s PRO 93 CO 0.00 -1.58 1.59 0.00 0.04 0.00 0.00 177.00 177.05