#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8k s ILE 2 N 0.00 1.46 0.00 -1.44 2.07 -1.26 -3.55 121.20 118.48 1j8k s ILE 2 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1j8k s ILE 2 Cb 0.00 -2.01 0.00 0.00 0.13 0.00 0.00 42.46 40.58 1j8k s ILE 2 CO 0.00 0.00 0.22 -0.67 -1.91 0.00 0.00 174.94 172.58 1j8k n ASP 3 N -5.51 0.00 -2.22 4.50 -0.08 -1.26 -4.80 116.55 107.18 1j8k n ASP 3 Ca 0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.37 1j8k n ASP 3 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 0.00 -4.81 -0.52 -0.67 1.74 -1.26 -4.98 116.66 106.16 1j8k n ARG 4 Ca 0.00 3.44 -0.09 0.00 -0.77 0.00 0.00 57.85 60.43 1j8k n ARG 4 Cb 0.36 -4.12 0.07 0.00 -1.02 0.00 0.00 32.46 27.75 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 1.90 -0.79 0.00 5.56 -0.04 -1.26 -5.02 135.00 135.35 1j8k n PRO 5 Ca 0.00 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1j8k n PRO 5 Cb 0.00 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1j8k n PRO 5 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j8k n LYS 6 N -2.09 0.00 -1.04 0.54 4.81 -1.26 -4.99 118.16 114.13 1j8k n LYS 6 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1j8k n LYS 6 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1j8k n LYS 6 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j8k n GLY 7 N -0.15 0.61 3.75 3.14 0.00 -1.26 -4.38 105.19 106.89 1j8k n GLY 7 Ca 0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.31 4.51 0.37 0.99 2.96 -1.26 -4.49 118.68 120.46 1j8k s LEU 8 Ca 0.00 2.22 0.04 0.00 -0.22 0.00 0.00 54.13 56.17 1j8k s LEU 8 Cb 0.00 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 1j8k s LEU 8 CO 0.00 -0.22 0.05 0.00 -1.32 0.00 0.00 176.35 174.87 1j8k s ALA 9 N -0.69 2.78 0.13 5.97 0.00 -0.98 -5.03 121.76 123.94 1j8k s ALA 9 Ca 0.47 -1.82 0.10 0.00 0.00 0.00 0.00 51.96 50.71 1j8k s ALA 9 Cb -0.32 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1j8k s ALA 9 CO 0.39 -0.25 -0.25 -0.06 0.00 0.00 0.00 175.76 175.59 1j8k s PHE 10 N -3.13 2.17 -0.12 0.00 0.40 -1.26 -2.53 117.98 113.51 1j8k s PHE 10 Ca 0.31 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 56.21 1j8k s PHE 10 Cb 0.07 -1.17 -0.06 0.00 0.51 0.00 0.00 43.02 42.38 1j8k s PHE 10 CO 0.15 0.32 -0.14 2.41 0.70 0.00 0.00 175.22 178.65 1j8k n THR 11 N 0.88 0.65 -3.55 0.64 -1.04 -0.69 -4.97 114.28 106.20 1j8k n THR 11 Ca -0.18 -0.18 -0.08 0.00 -2.04 0.00 0.00 64.05 61.57 1j8k n THR 11 Cb 0.53 -1.50 -0.09 0.00 -1.82 0.00 0.00 70.33 67.46 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 -5.86 -0.20 0.24 8.00 -1.08 -1.23 -5.00 116.67 111.53 1j8k s ASP 12 Ca -0.16 0.81 0.07 0.00 -0.52 0.00 0.00 52.55 52.74 1j8k s ASP 12 Cb 0.06 1.36 -0.04 0.00 -1.46 0.00 0.00 42.92 42.84 1j8k s ASP 12 CO 0.22 -0.25 0.20 0.54 0.52 0.00 0.00 175.17 176.40 1j8k s VAL 13 N 2.62 4.50 0.12 1.11 0.11 -1.26 -1.24 120.40 126.35 1j8k s VAL 13 Ca 0.03 -1.36 -0.20 0.00 -2.93 0.00 0.00 61.98 57.52 1j8k s VAL 13 Cb -0.13 -3.42 0.05 0.00 -1.53 0.00 0.00 36.38 31.35 1j8k s VAL 13 CO -0.14 -0.33 0.50 -0.62 -3.33 0.00 0.00 175.10 171.18 1j8k s ASP 14 N -3.79 -0.40 0.56 3.54 2.15 0.70 -4.88 116.67 114.54 1j8k s ASP 14 Ca 0.33 -0.07 0.39 0.00 0.43 0.00 0.00 52.55 53.63 1j8k s ASP 14 Cb -0.08 0.52 1.52 0.00 -0.30 0.00 0.00 42.92 44.58 1j8k s ASP 14 CO 0.25 -0.86 1.66 1.62 -0.17 0.00 0.00 175.17 177.68 1j8k h VAL 15 N 2.35 0.21 -0.16 1.11 3.04 -1.81 -2.23 116.25 118.76 1j8k h VAL 15 Ca -0.33 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.17 1j8k h VAL 15 Cb 1.26 0.23 -0.30 0.00 -2.01 0.00 0.00 31.29 30.48 1j8k h VAL 15 CO 0.42 0.00 -0.77 -0.90 -1.01 0.00 0.00 177.57 175.31 1j8k n ASP 16 N -3.91 0.31 -3.61 3.17 5.75 -1.26 -3.78 116.55 113.21 1j8k n ASP 16 Ca 0.30 -2.06 -0.02 0.00 -0.01 0.00 0.00 54.79 53.00 1j8k n ASP 16 Cb 1.50 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 41.51 1j8k n ASP 16 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1j8k s SER 17 N -2.33 -1.00 -0.10 -1.12 0.01 -0.84 0.25 113.70 108.57 1j8k s SER 17 Ca 0.20 1.42 -0.04 0.00 1.31 0.00 0.00 55.95 58.85 1j8k s SER 17 Cb 0.32 1.98 0.05 0.00 0.21 0.00 0.00 66.02 68.59 1j8k s SER 17 CO -0.09 -0.20 0.20 -0.63 0.41 0.00 0.00 173.24 172.93 1j8k s ILE 18 N 2.51 -0.27 -0.47 1.44 1.01 -0.64 0.25 121.20 125.04 1j8k s ILE 18 Ca -0.06 0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 1j8k s ILE 18 Cb -0.09 -0.34 0.09 0.00 0.01 0.00 0.00 42.46 42.13 1j8k s ILE 18 CO -0.19 0.13 0.37 -0.75 0.00 0.00 0.00 174.94 174.50 1j8k s LYS 19 N 2.15 2.81 0.19 2.79 2.36 -0.38 -1.92 119.74 127.73 1j8k s LYS 19 Ca 0.00 -1.50 0.08 0.00 -2.55 0.00 0.00 55.97 52.00 1j8k s LYS 19 Cb -0.12 -4.03 -0.04 0.00 -1.05 0.00 0.00 37.83 32.59 1j8k s LYS 19 CO -0.07 -1.08 -0.01 0.96 1.55 0.00 0.00 175.35 176.70 1j8k s ILE 20 N 1.53 3.63 -0.03 5.43 -4.36 -1.00 -1.71 121.20 124.69 1j8k s ILE 20 Ca 0.04 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 58.94 1j8k s ILE 20 Cb -0.25 -2.84 -0.00 0.00 1.25 0.00 0.00 42.46 40.62 1j8k s ILE 20 CO 0.04 -0.15 -0.11 0.00 0.24 0.00 0.00 174.94 174.96 1j8k s ALA 21 N -1.81 0.98 0.24 2.27 0.00 -1.05 -0.65 121.76 121.74 1j8k s ALA 21 Ca 0.28 -0.42 0.11 0.00 0.00 0.00 0.00 51.96 51.93 1j8k s ALA 21 Cb -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1j8k s ALA 21 CO 0.18 0.18 -0.18 1.67 0.00 0.00 0.00 175.76 177.61 1j8k s TRP 22 N 0.08 2.37 0.49 0.00 -2.14 -1.02 -2.31 118.94 116.40 1j8k s TRP 22 Ca -0.02 -0.32 -0.21 0.00 2.66 0.00 0.00 56.10 58.21 1j8k s TRP 22 Cb -0.08 -1.10 -0.10 0.00 -3.10 0.00 0.00 33.47 29.09 1j8k s TRP 22 CO 0.01 0.61 0.78 -1.91 -2.66 0.00 0.00 176.95 173.78 1j8k n GLU 23 N -0.25 0.90 -2.86 3.25 2.13 -1.26 -4.81 120.64 117.73 1j8k n GLU 23 Ca -0.09 0.33 -0.30 0.00 0.66 0.00 0.00 57.16 57.76 1j8k n GLU 23 Cb 0.58 -1.86 -0.03 0.00 0.27 0.00 0.00 31.44 30.40 1j8k n GLU 23 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1j8k s SER 24 N -0.98 6.53 1.02 4.31 1.04 -1.26 -4.71 113.70 119.66 1j8k s SER 24 Ca 0.67 1.15 -0.04 0.00 0.48 0.00 0.00 55.95 58.20 1j8k s SER 24 Cb -0.52 -2.33 0.05 0.00 0.10 0.00 0.00 66.02 63.33 1j8k s SER 24 CO 0.55 -0.39 0.27 -0.81 0.98 0.00 0.00 173.24 173.83 1j8k n PRO 25 N -1.26 -0.72 0.00 4.02 -0.04 -1.26 -4.83 135.00 130.91 1j8k n PRO 25 Ca 0.02 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1j8k n PRO 25 Cb 0.54 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 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 -1.83 -0.03 -2.28 0.54 1.13 -1.26 -4.82 117.38 108.83 1j8k n GLN 26 Ca 0.03 -0.30 -0.17 0.00 -1.94 0.00 0.00 57.00 54.62 1j8k n GLN 26 Cb 0.12 -0.65 0.03 0.00 0.11 0.00 0.00 30.24 29.85 1j8k n GLN 26 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j8k n GLY 27 N -0.03 5.04 2.90 1.08 0.00 -1.23 -5.01 105.19 107.93 1j8k n GLY 27 Ca 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.66 -2.55 -2.06 1.61 7.27 -1.26 -4.25 117.38 115.49 1j8k n GLN 28 Ca 0.33 2.10 -0.30 0.00 0.07 0.00 0.00 57.00 59.20 1j8k n GLN 28 Cb 0.91 -2.58 0.01 0.00 2.41 0.00 0.00 30.24 30.99 1j8k n GLN 28 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1j8k s VAL 29 N -0.37 4.68 -0.19 1.69 0.11 -1.26 -4.87 120.40 120.18 1j8k s VAL 29 Ca -0.11 0.69 0.05 0.00 -2.93 0.00 0.00 61.98 59.68 1j8k s VAL 29 Cb 0.01 -3.84 -0.07 0.00 -1.53 0.00 0.00 36.38 30.95 1j8k s VAL 29 CO 0.33 -1.04 0.20 -1.20 -3.33 0.00 0.00 175.10 170.05 1j8k n SER 30 N -2.65 1.21 0.00 3.54 7.64 -1.25 -4.88 113.62 117.24 1j8k n SER 30 Ca 0.05 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1j8k n SER 30 Cb 0.54 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.81 1j8k n SER 30 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j8k n ARG 31 N -1.28 0.00 -4.48 1.43 1.74 -1.26 -4.51 116.66 108.30 1j8k n ARG 31 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1j8k n ARG 31 Cb 0.10 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.38 1j8k n ARG 31 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1j8k s TYR 32 N -0.52 2.75 -0.04 -1.55 1.13 -1.26 0.83 117.35 118.69 1j8k s TYR 32 Ca 0.00 -1.24 -0.30 0.00 -1.41 0.00 0.00 57.07 54.12 1j8k s TYR 32 Cb 0.00 -1.88 -0.05 0.00 -1.10 0.00 0.00 41.96 38.93 1j8k s TYR 32 CO 0.00 -0.58 1.49 0.50 -2.51 0.00 0.00 175.55 174.45 1j8k s ARG 33 N 0.93 4.23 -0.50 -3.49 3.52 0.41 -4.65 118.95 119.40 1j8k s ARG 33 Ca -0.04 2.03 0.03 0.00 -0.13 0.00 0.00 55.73 57.62 1j8k s ARG 33 Cb -0.15 -3.75 0.13 0.00 -1.56 0.00 0.00 34.95 29.62 1j8k s ARG 33 CO -0.03 -0.71 0.25 0.08 -0.81 0.00 0.00 175.30 174.08 1j8k s VAL 34 N 3.19 2.75 0.17 7.11 1.01 -1.07 -1.33 120.40 132.23 1j8k s VAL 34 Ca 0.67 -3.04 0.05 0.00 0.00 0.00 0.00 61.98 59.66 1j8k s VAL 34 Cb -0.31 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1j8k s VAL 34 CO 0.26 -0.77 0.13 0.42 0.00 0.00 0.00 175.10 175.14 1j8k s THR 35 N 0.01 4.40 -0.22 3.92 -4.23 -0.87 -1.89 115.64 116.77 1j8k s THR 35 Ca 0.16 -1.14 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1j8k s THR 35 Cb -0.24 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.41 1j8k s THR 35 CO -0.02 -0.13 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.60 1j8k s TYR 36 N -1.78 1.95 0.08 3.99 1.51 -0.96 0.32 117.35 122.46 1j8k s TYR 36 Ca 0.31 -1.47 -0.09 0.00 -1.01 0.00 0.00 57.07 54.81 1j8k s TYR 36 Cb -0.10 -1.40 -0.06 0.00 -0.11 0.00 0.00 41.96 40.30 1j8k s TYR 36 CO 0.23 -0.72 0.38 -1.12 -1.11 0.00 0.00 175.55 173.21 1j8k s SER 37 N 1.54 6.60 -0.04 2.29 0.01 -1.09 -1.97 113.70 121.03 1j8k s SER 37 Ca -0.04 0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.93 1j8k s SER 37 Cb -0.18 -2.15 0.03 0.00 0.21 0.00 0.00 66.02 63.93 1j8k s SER 37 CO -0.07 0.16 0.08 -0.55 0.41 0.00 0.00 173.24 173.28 1j8k s SER 38 N -1.85 0.32 -0.88 2.44 0.15 -0.65 -2.00 113.70 111.24 1j8k s SER 38 Ca 0.33 0.16 -0.10 0.00 0.70 0.00 0.00 55.95 57.04 1j8k s SER 38 Cb -0.14 0.03 -0.08 0.00 -1.71 0.00 0.00 66.02 64.13 1j8k s SER 38 CO 0.19 -0.17 2.05 -0.81 1.20 0.00 0.00 173.24 175.69 1j8k n PRO 39 N 4.56 1.93 0.09 5.44 -0.04 -1.26 -2.19 135.00 143.53 1j8k n PRO 39 Ca -0.20 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1j8k n PRO 39 Cb 0.50 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 4.97 0.00 -0.04 0.54 -0.58 -1.26 -4.96 120.64 119.31 1j8k n GLU 40 Ca 0.45 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 57.22 1j8k n GLU 40 Cb 0.20 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.92 1j8k n GLU 40 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j8k n ASP 41 N -3.03 0.39 0.00 1.62 8.00 -1.22 -5.11 116.55 117.20 1j8k n ASP 41 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1j8k n ASP 41 Cb 0.00 1.54 0.00 0.00 -0.02 0.00 0.00 41.12 42.64 1j8k n ASP 41 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j8k n GLY 42 N 1.55 0.35 3.65 0.44 0.00 -0.93 -5.02 105.19 105.23 1j8k n GLY 42 Ca -0.14 -2.29 -0.23 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.08 3.33 0.18 -0.61 2.07 -1.26 -1.63 121.20 123.19 1j8k s ILE 43 Ca 0.00 -1.90 0.07 0.00 -1.41 0.00 0.00 60.65 57.42 1j8k s ILE 43 Cb 0.00 -2.85 -0.04 0.00 0.13 0.00 0.00 42.46 39.69 1j8k s ILE 43 CO 0.00 -0.34 -0.15 -1.00 -1.91 0.00 0.00 174.94 171.54 1j8k s HIS 44 N -2.35 1.63 -0.14 3.50 3.76 -0.83 -4.95 115.29 115.91 1j8k s HIS 44 Ca 0.32 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1j8k s HIS 44 Cb -0.05 -0.79 -0.00 0.00 1.11 0.00 0.00 32.58 32.84 1j8k s HIS 44 CO 0.20 0.29 -0.18 -1.21 -0.85 0.00 0.00 174.74 172.99 1j8k s GLU 45 N -3.32 3.17 -0.10 1.40 8.01 -1.26 -2.27 118.70 124.33 1j8k s GLU 45 Ca 0.18 -0.79 0.02 0.00 0.01 0.00 0.00 54.97 54.39 1j8k s GLU 45 Cb -0.02 -2.52 -0.02 0.00 -4.31 0.00 0.00 34.13 27.26 1j8k s GLU 45 CO 0.05 0.08 -0.15 -1.17 0.01 0.00 0.00 175.26 174.08 1j8k s LEU 46 N 0.64 2.62 -0.61 1.80 2.96 -0.79 -4.99 118.68 120.31 1j8k s LEU 46 Ca -0.09 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1j8k s LEU 46 Cb -0.16 -1.56 0.18 0.00 0.50 0.00 0.00 46.19 45.15 1j8k s LEU 46 CO 0.02 0.22 0.49 0.49 -1.32 0.00 0.00 176.35 176.26 1j8k n PHE 47 N 3.13 2.09 -2.34 5.38 3.72 -1.26 -2.60 117.46 125.58 1j8k n PHE 47 Ca -0.18 -4.01 -0.43 0.00 -0.05 0.00 0.00 57.45 52.78 1j8k n PHE 47 Cb 0.53 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1j8k n PHE 47 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1j8k n PRO 48 N 2.02 3.21 -1.50 -1.08 -0.04 -1.26 -4.95 135.00 131.40 1j8k n PRO 48 Ca 0.24 -3.23 -0.47 0.00 -0.04 0.00 0.00 63.50 60.00 1j8k n PRO 48 Cb 0.40 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 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 6.29 1.24 -1.00 0.55 0.00 -1.26 -4.80 120.51 121.53 1j8k n ALA 49 Ca 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1j8k n ALA 49 Cb 0.41 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 8.44 -0.47 0.00 0.00 -0.04 -1.26 -5.03 135.00 136.64 1j8k n PRO 50 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1j8k n PRO 50 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 -2.86 4.04 0.00 3.54 2.03 -1.26 -4.98 116.55 117.06 1j8k n ASP 51 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1j8k n ASP 51 Cb 0.00 0.65 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 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 2.22 0.00 0.00 0.27 0.00 -1.26 -5.04 105.19 101.38 1j8k n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j8k n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1j8k n GLU 53 N 0.00 0.00 -1.60 1.61 0.28 -1.26 -5.12 120.64 114.55 1j8k n GLU 53 Ca 0.00 0.00 -0.51 0.00 -0.16 0.00 0.00 57.16 56.49 1j8k n GLU 53 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1j8k n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1j8k n GLU 54 N -0.81 1.30 0.00 3.44 1.02 -1.26 -4.84 120.64 119.49 1j8k n GLU 54 Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1j8k n GLU 54 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 1j8k n GLU 54 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1j8k n ASP 55 N 2.72 0.27 -0.78 1.62 5.68 -1.26 -5.02 116.55 119.77 1j8k n ASP 55 Ca 0.18 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 1j8k n ASP 55 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1j8k n ASP 55 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1j8k n THR 56 N -0.04 0.00 -3.68 2.12 -2.24 -1.26 -2.44 114.28 106.73 1j8k n THR 56 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1j8k n THR 56 Cb 0.33 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.00 -1.34 -1.11 6.98 0.00 0.17 -4.94 121.76 119.53 1j8k s ALA 57 Ca 0.00 1.83 -0.10 0.00 0.00 0.00 0.00 51.96 53.68 1j8k s ALA 57 Cb 0.00 -1.09 0.26 0.00 0.00 0.00 0.00 23.12 22.28 1j8k s ALA 57 CO 0.00 -0.30 1.14 -1.21 0.00 0.00 0.00 175.76 175.39 1j8k s GLU 58 N 1.43 4.14 -1.27 0.00 8.01 -1.26 -2.38 118.70 127.36 1j8k s GLU 58 Ca -0.09 -3.05 -0.18 0.00 0.01 0.00 0.00 54.97 51.66 1j8k s GLU 58 Cb -0.07 -4.64 0.08 0.00 -4.31 0.00 0.00 34.13 25.19 1j8k s GLU 58 CO -0.15 -1.34 1.70 -0.51 0.01 0.00 0.00 175.26 174.97 1j8k s LEU 59 N -0.65 3.92 -0.29 1.80 1.43 -0.81 -4.93 118.68 119.16 1j8k s LEU 59 Ca 0.32 -2.43 -0.08 0.00 -1.03 0.00 0.00 54.13 50.91 1j8k s LEU 59 Cb -0.09 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1j8k s LEU 59 CO -0.07 -1.16 0.10 -1.10 0.23 0.00 0.00 176.35 174.35 1j8k s GLN 60 N 4.05 3.32 0.00 1.70 -0.21 -1.26 -1.61 119.66 125.64 1j8k s GLN 60 Ca 0.53 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1j8k s GLN 60 Cb 0.03 -3.41 0.00 0.00 1.00 0.00 0.00 33.01 30.63 1j8k s GLN 60 CO 0.06 -0.36 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 1j8k n GLY 61 N 4.92 0.66 3.99 3.09 0.00 0.14 -4.95 105.19 113.03 1j8k n GLY 61 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1j8k n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j8k s LEU 62 N 0.00 2.86 0.48 0.99 1.43 -1.22 -5.02 118.68 118.20 1j8k s LEU 62 Ca 0.00 -1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 1j8k s LEU 62 Cb 0.00 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.80 1j8k s LEU 62 CO 0.00 -1.34 0.97 -0.13 0.23 0.00 0.00 176.35 176.09 1j8k s ARG 63 N -4.56 4.06 -0.44 1.70 3.00 -1.26 -4.52 118.95 116.93 1j8k s ARG 63 Ca 0.51 1.03 -0.27 0.00 0.00 0.00 0.00 55.73 57.00 1j8k s ARG 63 Cb -0.04 -2.15 0.02 0.00 0.00 0.00 0.00 34.95 32.78 1j8k s ARG 63 CO 0.32 -0.18 1.01 -1.25 0.00 0.00 0.00 175.30 175.21 1j8k s PRO 64 N -3.70 3.70 0.00 3.54 0.04 -1.25 -4.36 135.00 132.97 1j8k s PRO 64 Ca 0.60 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1j8k s PRO 64 Cb -0.10 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1j8k s PRO 64 CO 0.24 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1j8k n GLY 65 N 4.71 -0.41 3.38 0.56 0.00 -0.57 -4.90 105.19 107.96 1j8k n GLY 65 Ca 0.09 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.28 -0.55 -0.82 1.61 1.04 -1.25 -4.93 113.70 107.52 1j8k s SER 66 Ca 0.00 0.75 -0.25 0.00 0.48 0.00 0.00 55.95 56.92 1j8k s SER 66 Cb 0.00 1.62 -0.08 0.00 0.10 0.00 0.00 66.02 67.66 1j8k s SER 66 CO 0.00 -0.11 2.14 -0.70 0.98 0.00 0.00 173.24 175.56 1j8k s GLU 67 N 2.44 2.17 -0.36 4.02 2.12 -1.26 -2.56 118.70 125.28 1j8k s GLU 67 Ca -0.02 0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.18 1j8k s GLU 67 Cb -0.06 -4.88 0.01 0.00 0.26 0.00 0.00 34.13 29.46 1j8k s GLU 67 CO -0.17 -3.74 1.22 0.71 -0.54 0.00 0.00 175.26 172.74 1j8k s TYR 68 N 11.93 2.80 -1.35 5.30 1.51 -0.35 -4.69 117.35 132.50 1j8k s TYR 68 Ca 0.80 0.90 -0.17 0.00 -1.01 0.00 0.00 57.07 57.59 1j8k s TYR 68 Cb -0.10 -4.01 0.06 0.00 -0.11 0.00 0.00 41.96 37.80 1j8k s TYR 68 CO 0.05 -1.41 1.88 2.41 -1.11 0.00 0.00 175.55 177.38 1j8k n THR 69 N 6.36 3.80 -2.40 -0.71 -1.04 -0.84 -3.07 114.28 116.37 1j8k n THR 69 Ca 0.14 -3.79 -0.35 0.00 -2.04 0.00 0.00 64.05 58.01 1j8k n THR 69 Cb 0.47 -2.43 -0.02 0.00 -1.82 0.00 0.00 70.33 66.54 1j8k n THR 69 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1j8k s VAL 70 N 3.91 3.45 -0.07 12.58 1.01 -0.59 -2.68 120.40 138.01 1j8k s VAL 70 Ca 0.52 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.49 1j8k s VAL 70 Cb 0.07 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1j8k s VAL 70 CO 0.03 -0.15 -0.17 -0.55 0.00 0.00 0.00 175.10 174.26 1j8k s SER 71 N -1.77 2.25 -0.19 3.32 0.15 0.15 0.25 113.70 117.86 1j8k s SER 71 Ca 0.68 -0.39 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 1j8k s SER 71 Cb -0.21 -0.93 -0.00 0.00 -1.71 0.00 0.00 66.02 63.16 1j8k s SER 71 CO 0.25 0.10 -0.10 -0.69 1.20 0.00 0.00 173.24 174.00 1j8k s VAL 72 N 0.41 2.96 -0.01 4.45 1.01 -0.03 -2.04 120.40 127.15 1j8k s VAL 72 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1j8k s VAL 72 Cb -0.15 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1j8k s VAL 72 CO 0.05 0.48 -0.00 -0.69 0.00 0.00 0.00 175.10 174.93 1j8k s VAL 73 N 1.17 0.09 0.32 2.92 1.01 -0.44 0.53 120.40 126.00 1j8k s VAL 73 Ca 0.02 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 1j8k s VAL 73 Cb -0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 1j8k s VAL 73 CO -0.04 0.07 0.65 0.00 0.00 0.00 0.00 175.10 175.79 1j8k s ALA 74 N 0.41 3.47 0.00 5.51 0.00 -1.26 0.16 121.76 130.05 1j8k s ALA 74 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1j8k s ALA 74 Cb -0.06 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1j8k s ALA 74 CO -0.01 0.25 0.00 1.28 0.00 0.00 0.00 175.76 177.28 1j8k n LEU 75 N -0.74 0.00 -2.67 0.00 4.77 0.24 -4.05 117.00 114.55 1j8k n LEU 75 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 1j8k n LEU 75 Cb 0.53 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.71 1j8k n LEU 75 CO 0.46 0.00 0.64 1.57 -1.33 0.00 0.00 177.39 178.72 1j8k n HIS 76 N 0.00 -0.53 0.00 -1.77 -0.00 -1.26 -3.75 115.22 107.91 1j8k n HIS 76 Ca 0.00 -0.73 0.00 0.00 0.46 0.00 0.00 57.72 57.45 1j8k n HIS 76 Cb 0.00 1.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.99 1j8k n HIS 76 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1j8k n ASP 77 N 1.20 0.00 -2.99 0.26 8.00 -1.26 -3.87 116.55 117.88 1j8k n ASP 77 Ca -0.01 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.34 1j8k n ASP 77 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1j8k n ASP 77 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1j8k n ASP 78 N 1.51 -0.86 -4.02 -2.24 2.03 -1.26 -5.12 116.55 106.59 1j8k n ASP 78 Ca 0.00 -3.15 -0.08 0.00 0.52 0.00 0.00 54.79 52.08 1j8k n ASP 78 Cb 0.00 0.48 -0.11 0.00 -0.72 0.00 0.00 41.12 40.77 1j8k n ASP 78 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1j8k s MET 79 N -0.82 0.43 -0.48 -0.67 -1.94 -1.25 -5.10 119.30 109.46 1j8k s MET 79 Ca 0.33 -0.83 0.05 0.00 -1.71 0.00 0.00 55.69 53.53 1j8k s MET 79 Cb 0.26 0.15 0.18 0.00 2.01 0.00 0.00 34.83 37.44 1j8k s MET 79 CO -0.12 -0.08 0.41 0.39 -0.01 0.00 0.00 175.02 175.61 1j8k n GLU 80 N 1.03 0.69 -2.42 2.03 1.02 -1.26 -4.45 120.64 117.28 1j8k n GLU 80 Ca -0.20 -3.53 -0.34 0.00 -0.02 0.00 0.00 57.16 53.07 1j8k n GLU 80 Cb 0.57 -1.79 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1j8k n GLU 80 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1j8k s SER 81 N -0.49 6.12 -0.28 1.62 0.01 -1.26 -4.88 113.70 114.54 1j8k s SER 81 Ca 0.32 1.98 -0.43 0.00 1.31 0.00 0.00 55.95 59.12 1j8k s SER 81 Cb 0.04 -2.56 -0.19 0.00 0.21 0.00 0.00 66.02 63.52 1j8k s SER 81 CO -0.18 -0.94 1.45 0.00 0.41 0.00 0.00 173.24 173.99 1j8k n GLN 82 N -1.17 0.26 -2.39 12.44 0.00 -1.26 -4.73 117.38 120.52 1j8k n GLN 82 Ca 0.10 0.10 -0.41 0.00 0.00 0.00 0.00 57.00 56.79 1j8k n GLN 82 Cb 0.52 -1.63 -0.04 0.00 0.00 0.00 0.00 30.24 29.09 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 2.06 4.54 -0.58 2.61 0.04 -1.26 -4.78 135.00 137.62 1j8k s PRO 83 Ca 0.99 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 63.74 1j8k s PRO 83 Cb -1.33 -3.20 0.13 0.00 0.04 0.00 0.00 34.50 30.14 1j8k s PRO 83 CO 0.70 0.02 0.57 -1.17 0.04 0.00 0.00 177.00 177.17 1j8k s LEU 84 N -0.86 6.07 1.14 -3.56 2.96 0.19 -4.90 118.68 119.71 1j8k s LEU 84 Ca 0.49 -1.81 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 1j8k s LEU 84 Cb -0.33 -2.23 0.14 0.00 0.50 0.00 0.00 46.19 44.27 1j8k s LEU 84 CO 0.40 -0.89 0.13 0.00 -1.32 0.00 0.00 176.35 174.67 1j8k n ILE 85 N 5.19 0.00 -2.74 6.68 3.06 -1.26 -0.85 119.36 129.45 1j8k n ILE 85 Ca -0.10 -0.30 -0.07 0.00 -2.50 0.00 0.00 62.75 59.78 1j8k n ILE 85 Cb 0.41 -0.65 0.06 0.00 0.54 0.00 0.00 39.64 40.00 1j8k n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1j8k n GLY 86 N 1.97 -0.24 3.89 4.50 0.00 0.68 -4.64 105.19 111.35 1j8k n GLY 86 Ca 0.01 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 0.60 4.83 0.00 2.61 2.01 -1.26 -1.54 115.64 122.89 1j8k s THR 87 Ca 0.31 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1j8k s THR 87 Cb 0.23 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1j8k s THR 87 CO -0.22 -0.89 0.00 1.67 -0.69 0.00 0.00 174.62 174.49 1j8k n GLN 88 N -2.26 0.00 -2.79 4.92 0.00 -1.18 -4.92 117.38 111.15 1j8k n GLN 88 Ca 0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.60 1j8k n GLN 88 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.75 1j8k n GLN 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1j8k s SER 89 N 0.00 6.77 0.30 1.69 0.01 -1.26 -1.21 113.70 119.99 1j8k s SER 89 Ca 0.00 0.79 -0.29 0.00 1.31 0.00 0.00 55.95 57.76 1j8k s SER 89 Cb 0.00 -2.47 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 1j8k s SER 89 CO 0.00 -0.78 1.38 -0.89 0.41 0.00 0.00 173.24 173.36 1j8k s THR 90 N 3.35 2.65 0.00 1.44 2.01 -1.06 -4.87 115.64 119.16 1j8k s THR 90 Ca 0.39 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1j8k s THR 90 Cb -0.13 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1j8k s THR 90 CO 0.15 0.12 0.00 0.00 -0.69 0.00 0.00 174.62 174.20 1j8k n ALA 91 N 1.48 0.00 -2.39 7.40 0.00 -1.20 -3.21 120.51 122.58 1j8k n ALA 91 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1j8k n ALA 91 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 1j8k n ALA 91 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1j8k s ILE 92 N -0.56 1.62 -0.29 0.00 -0.00 -1.26 -1.52 121.20 119.18 1j8k s ILE 92 Ca 0.00 -2.14 -0.27 0.00 -0.00 0.00 0.00 60.65 58.23 1j8k s ILE 92 Cb 0.00 -2.31 0.01 0.00 -0.00 0.00 0.00 42.46 40.16 1j8k s ILE 92 CO 0.00 -0.40 0.98 -2.16 -0.00 0.00 0.00 174.94 173.37 1j8k s PRO 93 N -3.71 4.09 0.00 0.37 0.04 -1.26 -4.58 135.00 129.95 1j8k s PRO 93 Ca 0.27 1.02 0.25 0.00 0.04 0.00 0.00 61.00 62.58 1j8k s PRO 93 Cb 0.02 -3.71 0.43 0.00 0.04 0.00 0.00 34.50 31.28 1j8k s PRO 93 CO 0.10 -0.76 1.39 0.00 0.04 0.00 0.00 177.00 177.77