#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 0.00 -1.44 3.06 -1.26 -4.33 119.36 115.39 1j8k n ILE 2 Ca 0.00 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1j8k n ILE 2 Cb 0.00 -0.44 0.00 0.00 0.54 0.00 0.00 39.64 39.74 1j8k n ILE 2 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1j8k n ASP 3 N -0.82 0.00 0.00 9.51 -0.08 -1.26 -4.89 116.55 119.01 1j8k n ASP 3 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 1j8k n ASP 3 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 1j8k n ASP 3 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1j8k n ARG 4 N -2.32 0.00 -1.43 -0.67 1.74 -1.26 -4.94 116.66 107.78 1j8k n ARG 4 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1j8k n ARG 4 Cb 0.00 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.62 1j8k n ARG 4 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j8k s PRO 5 N 0.00 0.33 0.00 5.56 0.04 -1.26 -4.87 135.00 134.80 1j8k s PRO 5 Ca 0.00 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1j8k s PRO 5 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1j8k s PRO 5 CO 0.00 -2.71 0.00 1.63 0.04 0.00 0.00 177.00 175.96 1j8k n LYS 6 N -4.09 0.00 0.00 4.56 5.02 -1.26 -5.00 118.16 117.39 1j8k n LYS 6 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1j8k n LYS 6 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1j8k n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j8k n GLY 7 N -0.76 0.76 3.68 0.72 0.00 -1.26 -4.06 105.19 104.27 1j8k n GLY 7 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j8k n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j8k s LEU 8 N 0.00 4.25 0.35 0.99 2.96 -1.26 -4.27 118.68 121.70 1j8k s LEU 8 Ca 0.00 1.81 0.07 0.00 -0.22 0.00 0.00 54.13 55.79 1j8k s LEU 8 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1j8k s LEU 8 CO 0.00 -0.67 0.31 0.00 -1.32 0.00 0.00 176.35 174.68 1j8k s ALA 9 N 2.72 3.89 -0.32 5.97 0.00 -0.93 -4.92 121.76 128.18 1j8k s ALA 9 Ca 0.57 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1j8k s ALA 9 Cb -0.24 -1.16 0.09 0.00 0.00 0.00 0.00 23.12 21.81 1j8k s ALA 9 CO 0.20 -0.04 0.04 -0.06 0.00 0.00 0.00 175.76 175.90 1j8k s PHE 10 N -2.33 3.07 -0.03 0.00 0.40 -1.26 -2.47 117.98 115.36 1j8k s PHE 10 Ca 0.42 -2.52 -0.05 0.00 -0.60 0.00 0.00 56.93 54.18 1j8k s PHE 10 Cb -0.05 -2.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.02 1j8k s PHE 10 CO 0.27 -0.91 0.36 1.15 0.70 0.00 0.00 175.22 176.79 1j8k h THR 11 N 6.59 0.00 -3.11 0.64 2.02 -1.61 -3.45 112.91 113.99 1j8k h THR 11 Ca -0.09 -0.36 -0.63 0.00 0.77 0.00 0.00 66.41 66.11 1j8k h THR 11 Cb 1.02 0.00 -0.35 0.00 -1.74 0.00 0.00 68.15 67.08 1j8k h THR 11 CO 0.49 0.00 -0.84 -1.81 0.37 0.00 0.00 175.52 173.73 1j8k s ASP 12 N -3.91 2.84 -0.83 4.18 1.11 -1.24 -4.95 116.67 113.87 1j8k s ASP 12 Ca -0.03 -0.54 0.01 0.00 0.18 0.00 0.00 52.55 52.17 1j8k s ASP 12 Cb 0.00 -1.29 0.22 0.00 1.07 0.00 0.00 42.92 42.93 1j8k s ASP 12 CO 0.08 -0.03 0.78 0.55 1.18 0.00 0.00 175.17 177.74 1j8k n VAL 13 N 4.65 2.83 -2.73 -1.27 3.14 -1.26 0.22 118.33 123.91 1j8k n VAL 13 Ca -0.19 -5.16 -0.31 0.00 -2.96 0.00 0.00 64.34 55.72 1j8k n VAL 13 Cb 0.50 -2.26 -0.03 0.00 -1.06 0.00 0.00 33.84 30.99 1j8k n VAL 13 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1j8k s ASP 14 N -1.04 6.56 0.53 6.55 1.01 0.24 -3.58 116.67 126.93 1j8k s ASP 14 Ca 0.30 1.27 0.32 0.00 0.71 0.00 0.00 52.55 55.15 1j8k s ASP 14 Cb -0.01 -2.38 1.47 0.00 1.01 0.00 0.00 42.92 43.01 1j8k s ASP 14 CO -0.09 -0.45 1.85 1.62 0.21 0.00 0.00 175.17 178.31 1j8k h VAL 15 N 1.07 0.50 -0.59 -1.27 3.04 -1.84 -1.91 116.25 115.26 1j8k h VAL 15 Ca -0.47 -0.01 -0.35 0.00 -1.01 0.00 0.00 66.70 64.86 1j8k h VAL 15 Cb 1.19 0.46 -0.41 0.00 -2.01 0.00 0.00 31.29 30.51 1j8k h VAL 15 CO 0.63 0.01 -1.03 0.47 -1.01 0.00 0.00 177.57 176.64 1j8k n ASP 16 N -4.27 2.63 -3.15 3.17 9.92 -1.26 -4.22 116.55 119.37 1j8k n ASP 16 Ca 0.21 -2.61 0.06 0.00 -0.53 0.00 0.00 54.79 51.91 1j8k n ASP 16 Cb 1.05 -0.44 -0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1j8k s SER 17 N -3.70 -0.36 -0.16 -2.24 0.15 -0.72 -1.55 113.70 105.12 1j8k s SER 17 Ca 0.35 0.05 0.01 0.00 0.70 0.00 0.00 55.95 57.06 1j8k s SER 17 Cb 0.36 1.24 0.01 0.00 -1.71 0.00 0.00 66.02 65.91 1j8k s SER 17 CO -0.02 -0.07 -0.17 -0.63 1.20 0.00 0.00 173.24 173.56 1j8k s ILE 18 N 2.96 2.44 -0.36 6.45 1.01 -0.96 0.80 121.20 133.53 1j8k s ILE 18 Ca 0.26 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1j8k s ILE 18 Cb -0.02 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 1j8k s ILE 18 CO -0.22 0.52 0.26 -0.75 0.00 0.00 0.00 174.94 174.76 1j8k s LYS 19 N 1.01 3.31 0.16 2.79 2.47 0.13 -1.96 119.74 127.65 1j8k s LYS 19 Ca -0.02 -0.77 0.09 0.00 -1.56 0.00 0.00 55.97 53.71 1j8k s LYS 19 Cb -0.15 -3.87 -0.04 0.00 -1.46 0.00 0.00 37.83 32.31 1j8k s LYS 19 CO -0.04 -0.55 -0.15 0.96 0.16 0.00 0.00 175.35 175.73 1j8k s ILE 20 N 1.72 2.95 -0.29 5.43 -4.36 -1.05 -1.41 121.20 124.19 1j8k s ILE 20 Ca 0.06 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 1j8k s ILE 20 Cb -0.18 -2.41 0.09 0.00 1.25 0.00 0.00 42.46 41.21 1j8k s ILE 20 CO 0.10 -0.02 0.05 0.00 0.24 0.00 0.00 174.94 175.31 1j8k s ALA 21 N -1.47 1.91 0.31 2.27 0.00 -1.03 -1.27 121.76 122.47 1j8k s ALA 21 Ca 0.22 -1.75 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 1j8k s ALA 21 Cb -0.09 -1.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 1j8k s ALA 21 CO 0.12 -1.54 0.66 1.67 0.00 0.00 0.00 175.76 176.67 1j8k s TRP 22 N 1.42 3.43 0.21 0.00 -2.14 -0.23 -2.18 118.94 119.46 1j8k s TRP 22 Ca 0.06 0.96 -0.30 0.00 2.66 0.00 0.00 56.10 59.49 1j8k s TRP 22 Cb -0.18 -2.35 -0.08 0.00 -3.10 0.00 0.00 33.47 27.76 1j8k s TRP 22 CO -0.16 0.10 1.04 -2.00 -2.66 0.00 0.00 176.95 173.27 1j8k s GLU 23 N -3.27 4.69 0.45 3.25 -6.30 -1.26 -4.60 118.70 111.66 1j8k s GLU 23 Ca 0.49 1.65 -0.09 0.00 -2.50 0.00 0.00 54.97 54.52 1j8k s GLU 23 Cb -0.11 -3.27 -0.05 0.00 0.00 0.00 0.00 34.13 30.70 1j8k s GLU 23 CO 0.25 0.25 0.81 0.45 0.02 0.00 0.00 175.26 177.03 1j8k s SER 24 N -0.58 6.42 0.39 -1.70 0.15 -1.26 -4.30 113.70 112.81 1j8k s SER 24 Ca 0.46 1.12 0.00 0.00 0.70 0.00 0.00 55.95 58.23 1j8k s SER 24 Cb -0.28 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1j8k s SER 24 CO 0.35 -0.51 0.00 -0.81 1.20 0.00 0.00 173.24 173.47 1j8k n PRO 25 N -1.74 0.33 -0.09 5.44 -0.04 -1.26 -4.88 135.00 132.76 1j8k n PRO 25 Ca 0.02 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.29 1j8k n PRO 25 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 1j8k n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1j8k n GLN 26 N -0.53 0.43 0.00 0.54 6.02 -1.26 -4.85 117.38 117.74 1j8k n GLN 26 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1j8k n GLN 26 Cb 0.00 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 1.74 -1.29 0.00 1.08 0.00 -1.26 -4.95 105.19 100.52 1j8k n GLY 27 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1j8k n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j8k n GLN 28 N 0.00 0.00 -2.19 1.61 -0.06 -1.26 -5.03 117.38 110.45 1j8k n GLN 28 Ca 0.00 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.58 1j8k n GLN 28 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 1j8k n GLN 28 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1j8k s VAL 29 N 0.00 3.54 -0.67 1.69 1.01 -1.26 -4.81 120.40 119.90 1j8k s VAL 29 Ca 0.00 1.01 0.24 0.00 0.00 0.00 0.00 61.98 63.23 1j8k s VAL 29 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1j8k s VAL 29 CO 0.00 0.03 1.21 -0.24 0.00 0.00 0.00 175.10 176.10 1j8k n SER 30 N 4.84 0.64 -3.78 3.32 2.88 -1.03 -4.30 113.62 116.19 1j8k n SER 30 Ca 0.13 -0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 1j8k n SER 30 Cb 0.43 0.43 -0.09 0.00 -0.75 0.00 0.00 64.21 64.23 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 -3.16 0.62 -0.23 -1.46 0.52 -1.25 -4.62 118.95 109.38 1j8k s ARG 31 Ca 0.06 -0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1j8k s ARG 31 Cb 0.14 0.27 0.07 0.00 0.52 0.00 0.00 34.95 35.96 1j8k s ARG 31 CO 0.75 -0.17 0.02 -0.47 0.02 0.00 0.00 175.30 175.45 1j8k s TYR 32 N -1.29 1.64 -0.76 -0.53 6.14 -1.26 -1.19 117.35 120.09 1j8k s TYR 32 Ca -0.13 -1.35 -0.20 0.00 0.64 0.00 0.00 57.07 56.03 1j8k s TYR 32 Cb -0.06 -1.37 0.11 0.00 0.42 0.00 0.00 41.96 41.06 1j8k s TYR 32 CO 0.04 -0.72 0.97 1.03 0.64 0.00 0.00 175.55 177.50 1j8k s ARG 33 N 1.65 3.31 -0.83 4.97 0.52 -0.48 -4.51 118.95 123.59 1j8k s ARG 33 Ca -0.00 -1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 53.62 1j8k s ARG 33 Cb -0.18 -4.52 0.09 0.00 0.52 0.00 0.00 34.95 30.86 1j8k s ARG 33 CO -0.11 -1.72 1.12 0.08 0.02 0.00 0.00 175.30 174.69 1j8k s VAL 34 N 3.05 4.40 -0.00 3.52 1.01 -0.97 -2.04 120.40 129.36 1j8k s VAL 34 Ca 0.24 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1j8k s VAL 34 Cb -0.13 -4.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.40 1j8k s VAL 34 CO 0.01 -1.57 0.45 0.42 0.00 0.00 0.00 175.10 174.40 1j8k s THR 35 N 3.73 5.00 -0.07 3.92 -4.23 -0.89 -0.32 115.64 122.78 1j8k s THR 35 Ca 0.31 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.74 1j8k s THR 35 Cb -0.09 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.01 1j8k s THR 35 CO -0.00 0.54 -0.06 -0.72 -0.54 0.00 0.00 174.62 173.84 1j8k s TYR 36 N -0.82 1.00 0.15 3.99 1.13 -0.40 0.25 117.35 122.64 1j8k s TYR 36 Ca 0.25 -0.36 0.07 0.00 -1.41 0.00 0.00 57.07 55.62 1j8k s TYR 36 Cb -0.17 -0.87 -0.04 0.00 -1.10 0.00 0.00 41.96 39.78 1j8k s TYR 36 CO 0.14 -0.29 -0.02 -1.54 -2.51 0.00 0.00 175.55 171.33 1j8k s SER 37 N 1.22 4.74 -0.04 -0.18 1.04 0.54 -0.99 113.70 120.03 1j8k s SER 37 Ca -0.06 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1j8k s SER 37 Cb -0.14 -1.01 0.03 0.00 0.10 0.00 0.00 66.02 65.00 1j8k s SER 37 CO -0.02 0.12 -0.01 -0.44 0.98 0.00 0.00 173.24 173.87 1j8k s SER 38 N -2.73 0.82 -0.88 7.02 0.01 0.12 -1.95 113.70 116.11 1j8k s SER 38 Ca 0.26 -0.07 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 1j8k s SER 38 Cb -0.10 -0.33 -0.07 0.00 0.21 0.00 0.00 66.02 65.73 1j8k s SER 38 CO 0.18 -0.11 2.06 -0.81 0.41 0.00 0.00 173.24 174.97 1j8k n PRO 39 N 4.32 1.96 0.06 12.44 -0.04 -1.26 -2.55 135.00 149.93 1j8k n PRO 39 Ca -0.22 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 1j8k n PRO 39 Cb 0.50 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 4.75 0.00 -0.01 0.54 1.02 -1.26 -4.97 120.64 120.71 1j8k n GLU 40 Ca 0.45 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.43 1j8k n GLU 40 Cb 0.18 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.46 1j8k n GLU 40 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1j8k n ASP 41 N -2.83 1.55 0.00 1.62 2.03 -1.24 -5.09 116.55 112.60 1j8k n ASP 41 Ca 0.00 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1j8k n ASP 41 Cb 0.00 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1j8k n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j8k n GLY 42 N 1.80 0.75 3.35 0.27 0.00 -1.06 -5.03 105.19 105.28 1j8k n GLY 42 Ca -0.25 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.00 1.48 0.00 -0.61 2.07 -1.26 0.12 121.20 119.99 1j8k s ILE 43 Ca 0.00 -2.13 0.00 0.00 -1.41 0.00 0.00 60.65 57.11 1j8k s ILE 43 Cb 0.00 -2.20 0.00 0.00 0.13 0.00 0.00 42.46 40.39 1j8k s ILE 43 CO 0.00 -0.47 0.00 1.41 -1.91 0.00 0.00 174.94 173.97 1j8k n HIS 44 N -0.42 -0.38 -3.47 3.50 8.25 -0.16 -4.97 115.22 117.57 1j8k n HIS 44 Ca -0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.24 1j8k n HIS 44 Cb 0.62 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.69 1j8k n HIS 44 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1j8k s GLU 45 N -1.93 1.17 -0.22 -0.41 1.03 -1.26 -1.27 118.70 115.81 1j8k s GLU 45 Ca 0.00 -0.13 -0.06 0.00 0.03 0.00 0.00 54.97 54.80 1j8k s GLU 45 Cb 0.00 0.54 -0.03 0.00 -0.80 0.00 0.00 34.13 33.84 1j8k s GLU 45 CO 0.00 -0.45 0.04 -1.17 -1.33 0.00 0.00 175.26 172.35 1j8k s LEU 46 N -2.03 3.45 -0.38 1.83 2.96 0.56 -4.92 118.68 120.16 1j8k s LEU 46 Ca -0.04 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1j8k s LEU 46 Cb -0.01 -1.90 0.46 0.00 0.50 0.00 0.00 46.19 45.25 1j8k s LEU 46 CO -0.02 0.04 1.40 2.22 -1.32 0.00 0.00 176.35 178.67 1j8k n PHE 47 N 4.39 2.71 -1.94 5.38 1.16 -1.26 -2.30 117.46 125.60 1j8k n PHE 47 Ca -0.17 -2.36 -0.41 0.00 -1.87 0.00 0.00 57.45 52.64 1j8k n PHE 47 Cb 0.52 -0.61 -0.02 0.00 -1.61 0.00 0.00 39.48 37.76 1j8k n PHE 47 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1j8k n PRO 48 N -0.79 2.59 -1.46 3.97 -0.04 -1.26 -4.90 135.00 133.12 1j8k n PRO 48 Ca 0.47 -2.67 -0.38 0.00 -0.04 0.00 0.00 63.50 60.88 1j8k n PRO 48 Cb 0.90 -3.35 -0.15 0.00 -0.04 0.00 0.00 33.50 30.86 1j8k n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j8k n ALA 49 N 8.00 0.36 -1.00 0.55 0.00 -1.26 -4.79 120.51 122.37 1j8k n ALA 49 Ca 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1j8k n ALA 49 Cb 0.42 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1j8k n ALA 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j8k n PRO 50 N 8.00 -0.62 -0.81 0.00 -0.04 -1.26 -4.97 135.00 135.30 1j8k n PRO 50 Ca 0.64 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 64.06 1j8k n PRO 50 Cb 0.04 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 33.70 1j8k n PRO 50 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1j8k n ASP 51 N -2.57 2.68 -0.46 3.54 2.03 -1.26 -4.88 116.55 115.63 1j8k n ASP 51 Ca 0.00 -3.70 -0.06 0.00 0.52 0.00 0.00 54.79 51.55 1j8k n ASP 51 Cb 0.00 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.73 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 -1.07 0.77 0.01 0.27 0.00 -1.26 -4.81 105.19 99.09 1j8k n GLY 52 Ca 0.34 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.75 2.51 -4.27 1.61 1.02 -1.26 -4.97 120.64 113.54 1j8k n GLU 53 Ca -0.06 -1.50 -0.34 0.00 -0.02 0.00 0.00 57.16 55.24 1j8k n GLU 53 Cb 0.33 -1.00 -0.14 0.00 -0.02 0.00 0.00 31.44 30.61 1j8k n GLU 53 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1j8k s GLU 54 N -1.08 3.34 0.00 3.49 8.01 -1.26 -4.96 118.70 126.25 1j8k s GLU 54 Ca 0.03 -0.67 0.04 0.00 0.01 0.00 0.00 54.97 54.39 1j8k s GLU 54 Cb 0.03 -2.81 -0.02 0.00 -4.31 0.00 0.00 34.13 27.01 1j8k s GLU 54 CO 0.00 -0.04 0.31 -0.25 0.01 0.00 0.00 175.26 175.30 1j8k n ASP 55 N 4.27 0.53 -3.81 -0.19 8.00 -1.26 -4.99 116.55 119.10 1j8k n ASP 55 Ca -0.18 -0.76 -0.24 0.00 0.71 0.00 0.00 54.79 54.31 1j8k n ASP 55 Cb 0.51 0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 42.28 1j8k n ASP 55 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1j8k n THR 56 N -0.73 0.00 -3.56 -3.53 -2.24 -1.26 -1.06 114.28 101.90 1j8k n THR 56 Ca 0.01 -1.95 -0.16 0.00 -2.27 0.00 0.00 64.05 59.68 1j8k n THR 56 Cb 0.08 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1j8k n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8k s ALA 57 N -2.81 -1.78 -0.82 6.98 0.00 -0.40 -4.93 121.76 118.00 1j8k s ALA 57 Ca 0.08 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1j8k s ALA 57 Cb 0.00 -0.46 0.21 0.00 0.00 0.00 0.00 23.12 22.88 1j8k s ALA 57 CO 0.06 -0.36 0.74 -1.21 0.00 0.00 0.00 175.76 174.99 1j8k s GLU 58 N -0.60 3.49 -1.39 0.00 2.02 -1.26 -2.51 118.70 118.45 1j8k s GLU 58 Ca -0.07 -2.52 -0.15 0.00 0.02 0.00 0.00 54.97 52.25 1j8k s GLU 58 Cb -0.02 -4.34 0.02 0.00 0.10 0.00 0.00 34.13 29.89 1j8k s GLU 58 CO 0.06 -1.27 2.20 1.28 0.02 0.00 0.00 175.26 177.55 1j8k n LEU 59 N 3.82 6.58 -4.61 1.80 4.77 -0.83 -4.91 117.00 123.63 1j8k n LEU 59 Ca 0.14 -4.01 -0.41 0.00 -0.03 0.00 0.00 56.01 51.70 1j8k n LEU 59 Cb 0.45 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 39.88 1j8k n LEU 59 CO 0.34 0.96 0.44 -1.10 -1.33 0.00 0.00 177.39 176.70 1j8k s GLN 60 N 3.39 3.95 0.00 3.23 -0.21 -1.26 -2.27 119.66 126.49 1j8k s GLN 60 Ca 0.48 0.42 0.00 0.00 0.02 0.00 0.00 55.36 56.28 1j8k s GLN 60 Cb 0.14 -3.71 0.00 0.00 1.00 0.00 0.00 33.01 30.44 1j8k s GLN 60 CO -0.07 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 172.94 1j8k n GLY 61 N 4.31 0.73 0.00 3.09 0.00 -0.60 -4.95 105.19 107.78 1j8k n GLY 61 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.80 0.99 4.77 -1.26 -4.99 117.00 111.71 1j8k n LEU 62 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1j8k n LEU 62 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1j8k n LEU 62 CO 0.00 0.00 0.48 -0.13 -1.33 0.00 0.00 177.39 176.41 1j8k s ARG 63 N 1.28 4.37 -0.45 3.23 3.00 -1.26 -4.83 118.95 124.29 1j8k s ARG 63 Ca 0.00 1.01 -0.27 0.00 0.00 0.00 0.00 55.73 56.47 1j8k s ARG 63 Cb 0.00 -2.92 0.03 0.00 0.00 0.00 0.00 34.95 32.06 1j8k s ARG 63 CO 0.00 0.39 1.03 -1.25 0.00 0.00 0.00 175.30 175.47 1j8k s PRO 64 N -1.87 3.68 -0.45 3.54 0.04 -1.26 -4.16 135.00 134.52 1j8k s PRO 64 Ca 0.44 0.44 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 1j8k s PRO 64 Cb -0.18 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 1j8k s PRO 64 CO 0.22 -1.24 0.41 0.41 0.04 0.00 0.00 177.00 176.83 1j8k n GLY 65 N 4.77 -0.40 3.39 0.56 0.00 -1.22 -5.06 105.19 107.22 1j8k n GLY 65 Ca 0.09 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.88 -0.45 -0.67 1.61 1.04 -1.26 -4.96 113.70 106.13 1j8k s SER 66 Ca 0.13 0.58 -0.26 0.00 0.48 0.00 0.00 55.95 56.88 1j8k s SER 66 Cb -0.02 0.61 -0.06 0.00 0.10 0.00 0.00 66.02 66.65 1j8k s SER 66 CO 0.37 -0.42 2.13 -0.70 0.98 0.00 0.00 173.24 175.59 1j8k s GLU 67 N -0.81 2.28 -0.33 4.02 2.12 -1.26 -2.63 118.70 122.09 1j8k s GLU 67 Ca -0.09 0.63 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 1j8k s GLU 67 Cb -0.03 -4.65 -0.01 0.00 0.26 0.00 0.00 34.13 29.70 1j8k s GLU 67 CO 0.05 -3.32 1.70 -0.47 -0.54 0.00 0.00 175.26 172.68 1j8k s TYR 68 N 11.16 1.97 -0.46 5.30 5.04 -0.73 -4.68 117.35 134.95 1j8k s TYR 68 Ca 0.81 0.62 -0.18 0.00 -2.44 0.00 0.00 57.07 55.87 1j8k s TYR 68 Cb -0.13 -4.15 0.04 0.00 0.35 0.00 0.00 41.96 38.07 1j8k s TYR 68 CO 0.16 -2.77 0.52 0.99 -1.34 0.00 0.00 175.55 173.11 1j8k s THR 69 N 6.34 5.00 0.10 4.34 2.01 -0.82 -2.62 115.64 129.99 1j8k s THR 69 Ca 0.75 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.39 1j8k s THR 69 Cb -0.21 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1j8k s THR 69 CO 0.33 -0.59 0.05 -0.69 -0.69 0.00 0.00 174.62 173.03 1j8k s VAL 70 N 2.34 4.24 -0.40 3.82 1.01 -0.97 0.20 120.40 130.64 1j8k s VAL 70 Ca 0.14 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1j8k s VAL 70 Cb -0.18 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.29 1j8k s VAL 70 CO 0.13 0.08 0.24 -0.55 0.00 0.00 0.00 175.10 175.00 1j8k s SER 71 N -2.49 3.17 -0.00 3.32 0.15 0.69 -0.84 113.70 117.70 1j8k s SER 71 Ca 0.28 -2.48 -0.30 0.00 0.70 0.00 0.00 55.95 54.14 1j8k s SER 71 Cb -0.11 -0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 63.44 1j8k s SER 71 CO 0.20 -0.27 1.39 -0.69 1.20 0.00 0.00 173.24 175.07 1j8k s VAL 72 N 0.62 3.73 -0.16 4.45 1.01 0.15 -2.09 120.40 128.11 1j8k s VAL 72 Ca 0.19 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.29 1j8k s VAL 72 Cb -0.21 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1j8k s VAL 72 CO -0.02 -0.00 -0.07 -0.69 0.00 0.00 0.00 175.10 174.32 1j8k s VAL 73 N 2.37 1.22 0.42 2.92 1.01 -0.87 0.99 120.40 128.47 1j8k s VAL 73 Ca 0.63 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1j8k s VAL 73 Cb -0.31 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 1j8k s VAL 73 CO 0.26 0.19 0.87 0.00 0.00 0.00 0.00 175.10 176.43 1j8k s ALA 74 N 1.59 3.17 0.16 5.51 0.00 -1.26 -1.38 121.76 129.55 1j8k s ALA 74 Ca 0.01 0.14 0.07 0.00 0.00 0.00 0.00 51.96 52.18 1j8k s ALA 74 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1j8k s ALA 74 CO -0.08 0.06 -0.14 -0.51 0.00 0.00 0.00 175.76 175.08 1j8k s LEU 75 N -3.49 2.48 -0.44 0.00 1.43 -0.33 -4.18 118.68 114.14 1j8k s LEU 75 Ca 0.57 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1j8k s LEU 75 Cb -0.10 -0.61 0.15 0.00 0.03 0.00 0.00 46.19 45.67 1j8k s LEU 75 CO 0.22 -0.16 0.29 -2.28 0.23 0.00 0.00 176.35 174.66 1j8k s HIS 76 N -2.56 1.51 0.00 0.29 5.65 -1.26 -2.48 115.29 116.44 1j8k s HIS 76 Ca 0.15 -2.27 0.00 0.00 0.25 0.00 0.00 55.06 53.19 1j8k s HIS 76 Cb -0.03 -1.38 0.00 0.00 -1.18 0.00 0.00 32.58 29.99 1j8k s HIS 76 CO 0.04 -0.78 0.00 -3.47 -0.65 0.00 0.00 174.74 169.88 1j8k n ASP 77 N 3.27 0.00 0.00 9.88 2.03 -1.26 -3.86 116.55 126.62 1j8k n ASP 77 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1j8k n ASP 77 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1j8k n ASP 77 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1j8k n ASP 78 N 2.46 0.00 -0.82 1.67 8.00 -1.26 -5.00 116.55 121.60 1j8k n ASP 78 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1j8k n ASP 78 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1j8k n ASP 78 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1j8k n MET 79 N 0.00 1.59 -3.19 -1.24 2.81 -1.25 -5.14 117.12 110.70 1j8k n MET 79 Ca 0.00 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1j8k n MET 79 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1j8k n MET 79 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1j8k s GLU 80 N -0.59 0.69 0.66 0.03 2.02 -1.26 -4.64 118.70 115.62 1j8k s GLU 80 Ca 0.00 0.12 -0.02 0.00 0.02 0.00 0.00 54.97 55.09 1j8k s GLU 80 Cb 0.00 0.15 0.08 0.00 0.10 0.00 0.00 34.13 34.46 1j8k s GLU 80 CO 0.00 -1.12 0.93 -1.12 0.02 0.00 0.00 175.26 173.97 1j8k s SER 81 N 2.32 4.74 -0.38 -0.19 0.01 -1.26 -4.93 113.70 114.00 1j8k s SER 81 Ca 0.13 -0.03 -0.40 0.00 1.31 0.00 0.00 55.95 56.96 1j8k s SER 81 Cb -0.07 -0.59 -0.16 0.00 0.21 0.00 0.00 66.02 65.42 1j8k s SER 81 CO -0.16 -1.58 1.97 0.00 0.41 0.00 0.00 173.24 173.88 1j8k n GLN 82 N -2.71 0.70 -2.44 12.44 3.00 -1.26 -4.81 117.38 122.30 1j8k n GLN 82 Ca 0.11 0.22 -0.37 0.00 -0.01 0.00 0.00 57.00 56.95 1j8k n GLN 82 Cb 0.60 -1.98 -0.03 0.00 0.00 0.00 0.00 30.24 28.83 1j8k n GLN 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1j8k s PRO 83 N 4.93 4.05 0.13 -1.09 0.04 -1.26 -4.68 135.00 137.12 1j8k s PRO 83 Ca 1.08 1.62 -0.10 0.00 0.04 0.00 0.00 61.00 63.64 1j8k s PRO 83 Cb -1.17 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 1j8k s PRO 83 CO 0.63 -0.27 0.47 -1.17 0.04 0.00 0.00 177.00 176.69 1j8k s LEU 84 N -2.72 4.30 0.13 -3.56 2.96 0.28 -4.89 118.68 115.19 1j8k s LEU 84 Ca 0.59 0.87 0.07 0.00 -0.22 0.00 0.00 54.13 55.44 1j8k s LEU 84 Cb -0.25 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1j8k s LEU 84 CO 0.31 0.09 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.78 1j8k s ILE 85 N -1.52 3.70 -0.42 6.68 -1.09 -1.26 0.30 121.20 127.59 1j8k s ILE 85 Ca 0.38 -1.27 0.05 0.00 -2.23 0.00 0.00 60.65 57.57 1j8k s ILE 85 Cb -0.13 -2.80 0.17 0.00 -1.58 0.00 0.00 42.46 38.11 1j8k s ILE 85 CO 0.20 0.01 0.46 -0.83 -1.23 0.00 0.00 174.94 173.54 1j8k s GLY 86 N -2.59 -0.03 -0.15 6.18 0.00 -0.02 -4.92 107.32 105.79 1j8k s GLY 86 Ca 0.25 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 1j8k s GLY 86 CO 0.17 2.83 0.13 -1.59 0.00 0.00 0.00 173.10 174.64 1j8k s THR 87 N 0.93 5.44 -0.21 0.90 2.01 -1.26 -2.29 115.64 121.16 1j8k s THR 87 Ca 0.24 0.19 -0.27 0.00 0.31 0.00 0.00 61.69 62.17 1j8k s THR 87 Cb -0.06 -3.41 0.08 0.00 0.01 0.00 0.00 72.50 69.12 1j8k s THR 87 CO -0.08 0.55 0.76 -1.58 -0.69 0.00 0.00 174.62 173.59 1j8k s GLN 88 N -0.51 0.84 -0.47 4.92 -0.44 -1.08 -4.96 119.66 117.96 1j8k s GLN 88 Ca 0.12 0.73 -0.28 0.00 -2.50 0.00 0.00 55.36 53.43 1j8k s GLN 88 Cb -0.12 0.40 -0.01 0.00 -1.64 0.00 0.00 33.01 31.65 1j8k s GLN 88 CO 0.02 -0.15 1.73 -1.54 0.50 0.00 0.00 175.29 175.84 1j8k s SER 89 N -0.09 5.75 0.53 6.67 1.04 -1.26 -1.78 113.70 124.56 1j8k s SER 89 Ca -0.02 0.78 -0.21 0.00 0.48 0.00 0.00 55.95 56.98 1j8k s SER 89 Cb -0.04 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 1j8k s SER 89 CO 0.02 -1.91 0.99 0.41 0.98 0.00 0.00 173.24 173.73 1j8k n THR 90 N 7.24 3.13 -0.71 2.02 -1.04 -1.08 -4.91 114.28 118.93 1j8k n THR 90 Ca 0.20 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.44 1j8k n THR 90 Cb 0.49 -1.17 0.12 0.00 -1.82 0.00 0.00 70.33 67.95 1j8k n THR 90 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j8k n ALA 91 N -1.21 -2.74 -2.96 2.41 0.00 -1.24 -4.35 120.51 110.43 1j8k n ALA 91 Ca 0.12 -1.14 -0.14 0.00 0.00 0.00 0.00 53.44 52.28 1j8k n ALA 91 Cb 0.44 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.90 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 -4.09 0.10 -0.82 0.00 -6.64 -1.26 -3.40 119.36 103.25 1j8k n ILE 92 Ca 0.02 -3.47 -0.11 0.00 -1.77 0.00 0.00 62.75 57.42 1j8k n ILE 92 Cb 0.52 0.35 -0.01 0.00 -1.44 0.00 0.00 39.64 39.07 1j8k n ILE 92 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1j8k n PRO 93 N 0.17 1.59 0.00 6.28 -0.04 -1.26 -5.03 135.00 136.71 1j8k n PRO 93 Ca 0.16 -1.01 0.11 0.00 -0.04 0.00 0.00 63.50 62.72 1j8k n PRO 93 Cb 0.71 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.78 1j8k n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46