#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk n LYS 3 N 0.00 0.00 -1.95 -0.52 0.00 -1.26 -3.97 118.16 110.46 1ngk n LYS 3 Ca 0.00 0.54 -0.36 0.00 0.00 0.00 0.00 58.31 58.48 1ngk n LYS 3 Cb 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 35.03 33.60 1ngk n LYS 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ngk s SER 4 N -2.14 5.14 0.30 3.14 1.04 -1.26 -4.80 113.70 115.12 1ngk s SER 4 Ca 0.00 2.47 0.05 0.00 0.48 0.00 0.00 55.95 58.95 1ngk s SER 4 Cb 0.00 -2.61 0.69 0.00 0.10 0.00 0.00 66.02 64.20 1ngk s SER 4 CO 0.00 -1.63 1.79 0.15 0.98 0.00 0.00 173.24 174.53 1ngk h PHE 5 N 0.96 1.09 0.24 5.02 3.04 -1.85 -0.09 116.94 125.35 1ngk h PHE 5 Ca -0.51 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.49 1ngk h PHE 5 Cb 1.30 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 1ngk h PHE 5 CO 0.46 0.29 -0.31 -0.92 -2.02 0.00 0.00 178.31 175.81 1ngk h TYR 6 N 0.82 -0.84 -0.38 0.41 3.20 -1.72 -2.21 116.97 116.25 1ngk h TYR 6 Ca 0.56 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.38 1ngk h TYR 6 Cb 0.80 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1ngk h TYR 6 CO -0.01 -0.43 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.64 1ngk h ASP 7 N -0.61 0.66 -0.96 -2.11 3.45 -1.74 0.66 116.42 115.78 1ngk h ASP 7 Ca 0.00 -0.31 0.19 0.00 0.43 0.00 0.00 57.03 57.34 1ngk h ASP 7 Cb 0.58 -0.18 -0.09 0.00 -0.56 0.00 0.00 39.33 39.09 1ngk h ASP 7 CO -0.11 0.81 0.61 0.00 -1.57 0.00 0.00 179.24 178.98 1ngk h ALA 8 N 0.87 1.88 -0.03 3.45 0.00 -0.93 -1.65 119.26 122.86 1ngk h ALA 8 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ngk h ALA 8 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ngk h ALA 8 CO 0.02 -0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.40 1ngk n VAL 9 N -4.63 0.01 0.00 0.00 0.24 -0.84 -4.89 118.33 108.22 1ngk n VAL 9 Ca 0.21 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1ngk n VAL 9 Cb 0.59 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1ngk n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ngk n GLY 10 N 1.20 0.86 7.00 7.63 0.00 -0.62 -4.60 105.19 116.66 1ngk n GLY 10 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ngk n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngk n GLY 11 N -0.98 2.07 0.28 -0.02 0.00 0.21 -3.44 105.19 103.31 1ngk n GLY 11 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.57 1ngk n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngk h ALA 12 N -0.88 1.09 -0.24 4.61 0.00 -1.97 -1.49 119.26 120.39 1ngk h ALA 12 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1ngk h ALA 12 Cb 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1ngk h ALA 12 CO 0.00 -0.20 -0.16 -0.22 0.00 0.00 0.00 179.25 178.67 1ngk h LYS 13 N 0.46 -0.14 -0.31 0.00 3.64 -1.98 -0.47 116.57 117.76 1ngk h LYS 13 Ca 0.42 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.77 1ngk h LYS 13 Cb 0.64 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1ngk h LYS 13 CO -0.40 -0.10 0.02 1.15 -2.27 0.00 0.00 179.45 177.85 1ngk h THR 14 N -0.15 1.25 -0.13 1.00 2.02 -1.33 -1.89 112.91 113.69 1ngk h THR 14 Ca 0.13 -0.90 -0.11 0.00 0.77 0.00 0.00 66.41 66.31 1ngk h THR 14 Cb 0.35 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1ngk h THR 14 CO -0.33 0.29 -0.39 -0.26 0.37 0.00 0.00 175.52 175.20 1ngk h PHE 15 N 0.34 0.33 -0.36 3.16 0.04 -1.19 0.16 116.94 119.42 1ngk h PHE 15 Ca 0.09 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1ngk h PHE 15 Cb 0.41 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1ngk h PHE 15 CO 0.03 0.64 0.01 0.22 -0.60 0.00 0.00 178.31 178.62 1ngk h ASP 16 N 0.24 0.62 0.00 2.17 3.58 -1.08 -1.42 116.42 120.53 1ngk h ASP 16 Ca 0.02 -0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.19 1ngk h ASP 16 Cb 0.81 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1ngk h ASP 16 CO 0.06 0.76 -0.11 0.00 -2.88 0.00 0.00 179.24 177.08 1ngk h ALA 17 N 0.88 -0.12 0.31 -0.78 0.00 -0.65 -1.58 119.26 117.32 1ngk h ALA 17 Ca 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 17 Cb 0.44 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ngk h ALA 17 CO 0.02 -0.60 -0.15 0.82 0.00 0.00 0.00 179.25 179.34 1ngk h ILE 18 N -0.18 0.70 -0.11 0.00 2.04 -0.69 -2.52 117.51 116.75 1ngk h ILE 18 Ca 0.04 -0.05 -0.19 0.00 1.00 0.00 0.00 64.86 65.66 1ngk h ILE 18 Cb 0.23 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1ngk h ILE 18 CO -0.11 0.01 -0.73 0.58 0.00 0.00 0.00 178.15 177.91 1ngk h VAL 19 N -0.44 1.34 -0.22 1.67 2.07 -1.24 0.21 116.25 119.64 1ngk h VAL 19 Ca -0.04 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1ngk h VAL 19 Cb 0.34 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1ngk h VAL 19 CO 0.07 0.63 0.14 0.77 0.02 0.00 0.00 177.57 179.20 1ngk h SER 20 N 0.37 0.24 -0.62 0.57 4.64 -1.37 0.11 113.55 117.49 1ngk h SER 20 Ca -0.03 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1ngk h SER 20 Cb 1.32 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 1ngk h SER 20 CO 0.13 0.18 0.09 -0.09 -0.87 0.00 0.00 176.83 176.28 1ngk h ARG 21 N 0.29 1.06 0.22 4.77 9.65 -1.23 -0.03 114.38 129.12 1ngk h ARG 21 Ca 0.08 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1ngk h ARG 21 Cb -0.03 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 1ngk h ARG 21 CO -0.02 0.97 -0.26 0.35 2.80 0.00 0.00 179.97 183.81 1ngk h PHE 22 N 0.99 -0.70 0.00 2.20 3.57 -0.36 -2.46 116.94 120.18 1ngk h PHE 22 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1ngk h PHE 22 Cb 0.44 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 1ngk h PHE 22 CO 0.03 -0.38 -0.02 1.88 -2.23 0.00 0.00 178.31 177.60 1ngk h TYR 23 N -0.54 0.00 -0.14 0.41 0.05 -0.63 -0.57 116.97 115.56 1ngk h TYR 23 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1ngk h TYR 23 Cb 0.51 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 1ngk h TYR 23 CO -0.19 0.02 -0.45 0.00 -1.05 0.00 0.00 178.16 176.48 1ngk h ALA 24 N 1.98 0.97 -0.19 3.88 0.00 -0.95 -2.76 119.26 122.20 1ngk h ALA 24 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1ngk h ALA 24 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ngk h ALA 24 CO 0.00 0.64 0.02 1.96 0.00 0.00 0.00 179.25 181.87 1ngk h GLN 25 N 0.28 0.32 -0.76 0.00 1.08 -0.67 -3.21 115.11 112.15 1ngk h GLN 25 Ca 0.02 -0.09 0.10 0.00 -1.45 0.00 0.00 58.65 57.23 1ngk h GLN 25 Cb 0.91 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.23 1ngk h GLN 25 CO 0.08 0.51 0.39 0.28 -0.95 0.00 0.00 178.83 179.13 1ngk h VAL 26 N 0.10 0.83 -0.50 -0.54 2.07 -1.17 -1.93 116.25 115.12 1ngk h VAL 26 Ca 0.06 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1ngk h VAL 26 Cb 0.35 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1ngk h VAL 26 CO 0.01 0.12 0.33 0.00 0.02 0.00 0.00 177.57 178.05 1ngk h ALA 27 N 1.46 1.97 -0.01 1.67 0.00 -1.49 -1.42 119.26 121.44 1ngk h ALA 27 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ngk h ALA 27 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ngk h ALA 27 CO -0.28 -0.07 -0.36 0.39 0.00 0.00 0.00 179.25 178.92 1ngk n GLU 28 N -4.47 0.93 -2.81 0.00 -0.58 -0.77 -4.90 120.64 108.04 1ngk n GLU 28 Ca 0.07 -0.65 -0.42 0.00 -0.42 0.00 0.00 57.16 55.74 1ngk n GLU 28 Cb 0.29 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1ngk n GLU 28 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ngk s ASP 29 N -2.52 6.90 0.32 1.62 2.15 -0.54 -4.95 116.67 119.66 1ngk s ASP 29 Ca 0.21 1.11 0.01 0.00 0.43 0.00 0.00 52.55 54.31 1ngk s ASP 29 Cb 0.19 -2.47 0.54 0.00 -0.30 0.00 0.00 42.92 40.87 1ngk s ASP 29 CO 0.55 -0.59 1.94 -0.33 -0.17 0.00 0.00 175.17 176.57 1ngk h GLU 30 N 7.67 0.84 -0.06 4.34 3.07 -1.92 -1.47 114.58 127.05 1ngk h GLU 30 Ca -0.22 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.49 1ngk h GLU 30 Cb 1.08 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1ngk h GLU 30 CO 0.92 0.63 -0.20 0.28 -1.40 0.00 0.00 179.01 179.24 1ngk h VAL 31 N 0.84 1.43 0.07 3.13 2.07 -1.95 -3.37 116.25 118.48 1ngk h VAL 31 Ca 0.21 -1.59 -0.24 0.00 0.82 0.00 0.00 66.70 65.90 1ngk h VAL 31 Cb 0.06 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1ngk h VAL 31 CO -0.03 0.45 -1.11 -0.07 0.02 0.00 0.00 177.57 176.82 1ngk h LEU 32 N -0.27 0.28 -1.70 2.57 3.38 -1.82 -3.11 115.31 114.63 1ngk h LEU 32 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ngk h LEU 32 Cb 0.83 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ngk h LEU 32 CO 0.04 1.20 0.00 0.08 0.09 0.00 0.00 178.44 179.85 1ngk h ARG 33 N 0.06 0.00 0.00 1.13 0.11 -1.43 0.65 114.38 114.89 1ngk h ARG 33 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1ngk h ARG 33 Cb 1.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.92 1ngk h ARG 33 CO 0.17 0.00 -0.08 0.00 0.10 0.00 0.00 179.97 180.16 1ngk h ARG 34 N 0.00 0.00 0.00 0.08 3.08 -1.69 -3.38 114.38 112.47 1ngk h ARG 34 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1ngk h ARG 34 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1ngk h ARG 34 CO 0.00 0.00 -1.79 0.28 -1.07 0.00 0.00 179.97 177.39 1ngk n VAL 35 N -2.76 0.79 -2.24 2.04 0.31 0.07 -4.96 118.33 111.58 1ngk n VAL 35 Ca 0.04 -0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 63.61 1ngk n VAL 35 Cb 0.50 -0.91 -0.03 0.00 -0.91 0.00 0.00 33.84 32.48 1ngk n VAL 35 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ngk s TYR 36 N -2.28 3.27 -0.35 3.52 1.51 -0.30 -4.93 117.35 117.80 1ngk s TYR 36 Ca -0.15 1.31 -0.27 0.00 -1.01 0.00 0.00 57.07 56.95 1ngk s TYR 36 Cb 0.04 -3.57 -0.05 0.00 -0.11 0.00 0.00 41.96 38.28 1ngk s TYR 36 CO 0.36 -1.69 2.18 -2.14 -1.11 0.00 0.00 175.55 173.15 1ngk s PRO 37 N -0.46 2.81 0.47 -1.71 0.02 -1.26 -4.85 135.00 130.02 1ngk s PRO 37 Ca 0.54 1.62 0.16 0.00 0.02 0.00 0.00 61.00 63.34 1ngk s PRO 37 Cb -0.36 -4.41 0.86 0.00 0.02 0.00 0.00 34.50 30.61 1ngk s PRO 37 CO 0.40 -2.47 1.41 1.05 -0.33 0.00 0.00 177.00 177.06 1ngk h GLU 38 N 16.05 0.00 -0.00 5.54 4.11 -1.91 -1.32 114.58 137.04 1ngk h GLU 38 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1ngk h GLU 38 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ngk h GLU 38 CO 1.05 0.00 -0.37 -0.25 0.07 0.00 0.00 179.01 179.51 1ngk n ASP 39 N -2.33 0.74 -2.90 3.06 8.00 -1.26 -4.45 116.55 117.40 1ngk n ASP 39 Ca -0.01 -0.55 -0.17 0.00 0.71 0.00 0.00 54.79 54.76 1ngk n ASP 39 Cb 0.45 0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1ngk n ASP 39 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ngk n ASP 40 N -1.08 2.01 -0.02 -2.24 2.03 -0.50 -4.89 116.55 111.85 1ngk n ASP 40 Ca 0.09 -3.09 -0.16 0.00 0.52 0.00 0.00 54.79 52.15 1ngk n ASP 40 Cb 0.34 -0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 40.08 1ngk n ASP 40 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ngk h LEU 41 N 2.95 0.46 -1.00 -2.67 3.38 -1.78 -1.07 115.31 115.58 1ngk h LEU 41 Ca 0.06 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.43 1ngk h LEU 41 Cb 0.96 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1ngk h LEU 41 CO 0.59 1.07 0.64 0.00 0.09 0.00 0.00 178.44 180.83 1ngk h ALA 42 N 0.39 1.43 -0.40 1.53 0.00 -1.96 -0.70 119.26 119.56 1ngk h ALA 42 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1ngk h ALA 42 Cb 1.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ngk h ALA 42 CO 0.08 0.37 -0.16 0.78 0.00 0.00 0.00 179.25 180.33 1ngk h GLY 43 N 1.12 0.88 0.78 0.00 0.00 -1.93 -1.70 103.07 102.21 1ngk h GLY 43 Ca 0.45 -0.77 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1ngk h GLY 43 CO -0.20 0.70 0.15 0.00 0.00 0.00 0.00 176.54 177.19 1ngk h ALA 44 N 0.82 0.41 -0.12 3.60 0.00 -0.56 -1.42 119.26 122.00 1ngk h ALA 44 Ca 0.09 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ngk h ALA 44 Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ngk h ALA 44 CO 0.05 -0.24 0.06 1.49 0.00 0.00 0.00 179.25 180.61 1ngk h GLU 45 N 0.31 0.16 -0.38 0.00 4.81 -1.08 -1.66 114.58 116.75 1ngk h GLU 45 Ca 0.15 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1ngk h GLU 45 Cb 0.09 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 1ngk h GLU 45 CO -0.13 0.21 -0.11 1.49 -0.73 0.00 0.00 179.01 179.74 1ngk h GLU 46 N 0.08 -0.02 -0.38 1.92 4.81 -1.13 -0.77 114.58 119.08 1ngk h GLU 46 Ca 0.04 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1ngk h GLU 46 Cb 0.10 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1ngk h GLU 46 CO -0.01 -0.02 0.02 0.00 -0.73 0.00 0.00 179.01 178.28 1ngk h ARG 47 N -0.03 0.67 -0.25 1.92 3.08 -1.12 0.37 114.38 119.02 1ngk h ARG 47 Ca 0.19 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ngk h ARG 47 Cb 0.31 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ngk h ARG 47 CO -0.41 0.75 0.16 1.25 -1.07 0.00 0.00 179.97 180.66 1ngk h LEU 48 N 0.49 0.28 -0.12 3.04 6.46 -1.17 -1.22 115.31 123.07 1ngk h LEU 48 Ca 0.11 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1ngk h LEU 48 Cb 0.44 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1ngk h LEU 48 CO 0.02 0.20 0.07 -0.09 -0.62 0.00 0.00 178.44 178.02 1ngk h ARG 49 N 0.33 0.15 -0.51 1.25 2.43 -0.92 -1.14 114.38 115.97 1ngk h ARG 49 Ca 0.09 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1ngk h ARG 49 Cb -0.04 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.41 1ngk h ARG 49 CO -0.02 0.13 0.09 0.52 -1.51 0.00 0.00 179.97 179.19 1ngk h MET 50 N 0.13 0.22 -0.10 0.20 2.86 -0.82 -0.65 114.93 116.77 1ngk h MET 50 Ca 0.04 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1ngk h MET 50 Cb 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1ngk h MET 50 CO -0.01 0.15 -0.04 0.35 1.06 0.00 0.00 176.91 178.42 1ngk h PHE 51 N 0.23 -0.09 -0.62 -0.22 3.57 -0.70 -1.36 116.94 117.75 1ngk h PHE 51 Ca 0.26 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 1ngk h PHE 51 Cb 0.36 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1ngk h PHE 51 CO -0.24 -0.07 0.05 -0.07 -2.23 0.00 0.00 178.31 175.76 1ngk h LEU 52 N -0.02 1.03 -0.21 0.59 3.38 -0.89 0.25 115.31 119.43 1ngk h LEU 52 Ca 0.05 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1ngk h LEU 52 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1ngk h LEU 52 CO -0.12 1.06 0.08 -0.33 0.09 0.00 0.00 178.44 179.22 1ngk h GLU 53 N 0.97 0.18 -0.13 1.13 5.08 -0.92 -1.83 114.58 119.05 1ngk h GLU 53 Ca 0.18 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1ngk h GLU 53 Cb 0.50 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ngk h GLU 53 CO 0.02 0.12 0.04 0.37 -1.00 0.00 0.00 179.01 178.56 1ngk h GLN 54 N 0.18 0.21 -0.77 2.33 4.15 -0.86 0.11 115.11 120.46 1ngk h GLN 54 Ca 0.09 -0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.62 1ngk h GLN 54 Cb 0.05 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.61 1ngk h GLN 54 CO -0.09 0.36 0.28 -0.92 -1.93 0.00 0.00 178.83 176.53 1ngk h TYR 55 N 0.02 0.47 -0.12 3.99 5.03 -0.27 -1.03 116.97 125.06 1ngk h TYR 55 Ca 0.04 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1ngk h TYR 55 Cb 0.24 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1ngk h TYR 55 CO 0.00 0.01 0.00 0.91 -1.32 0.00 0.00 178.16 177.76 1ngk n TRP 56 N -5.05 0.16 0.00 -3.82 7.02 -0.71 -4.89 117.44 110.15 1ngk n TRP 56 Ca 0.15 -0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1ngk n TRP 56 Cb 0.46 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 1ngk n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ngk n GLY 57 N 0.89 1.09 0.00 6.99 0.00 -0.39 -1.98 105.19 111.79 1ngk n GLY 57 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ngk n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngk n GLY 58 N -1.73 1.22 3.60 -0.02 0.00 0.37 -4.84 105.19 103.79 1ngk n GLY 58 Ca 0.00 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 1ngk n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ngk n PRO 59 N 0.00 0.76 -0.81 1.61 -0.02 -1.26 -4.60 135.00 130.68 1ngk n PRO 59 Ca 0.00 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1ngk n PRO 59 Cb 0.00 -2.13 0.26 0.00 -0.02 0.00 0.00 33.50 31.62 1ngk n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ngk n ARG 60 N -1.11 3.41 -0.28 -0.52 5.12 -1.26 -3.54 116.66 118.48 1ngk n ARG 60 Ca 0.14 -2.48 0.13 0.00 -1.93 0.00 0.00 57.85 53.71 1ngk n ARG 60 Cb 0.48 -2.06 0.39 0.00 -1.16 0.00 0.00 32.46 30.12 1ngk n ARG 60 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1ngk h THR 61 N 2.38 0.78 0.23 0.55 2.02 -1.91 -2.20 112.91 114.77 1ngk h THR 61 Ca 0.17 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1ngk h THR 61 Cb 1.96 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1ngk h THR 61 CO 0.56 0.12 -0.46 0.22 0.37 0.00 0.00 175.52 176.33 1ngk h TYR 62 N 0.65 -1.29 0.00 3.16 3.20 -1.80 -1.15 116.97 119.74 1ngk h TYR 62 Ca 0.47 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.26 1ngk h TYR 62 Cb 0.84 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 39.63 1ngk h TYR 62 CO -0.00 -0.57 -0.53 0.66 -1.64 0.00 0.00 178.16 176.07 1ngk h SER 63 N -0.76 0.00 -0.78 -2.11 4.64 -1.66 0.36 113.55 113.22 1ngk h SER 63 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ngk h SER 63 Cb 0.74 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 1ngk h SER 63 CO -0.20 0.53 0.49 -0.33 -0.87 0.00 0.00 176.83 176.45 1ngk h GLU 64 N 0.00 1.06 0.00 4.77 5.08 -1.11 0.16 114.58 124.54 1ngk h GLU 64 Ca -0.01 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 1ngk h GLU 64 Cb 1.00 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1ngk h GLU 64 CO 0.07 0.73 -1.93 1.04 -1.00 0.00 0.00 179.01 177.92 1ngk n GLN 65 N -4.39 0.65 -0.00 2.33 6.02 -0.46 -4.63 117.38 116.90 1ngk n GLN 65 Ca 0.09 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 57.18 1ngk n GLN 65 Cb 0.05 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 29.64 1ngk n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ngk n ARG 66 N -2.78 4.42 0.00 -1.09 5.12 0.12 -5.10 116.66 117.35 1ngk n ARG 66 Ca -0.19 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 1ngk n ARG 66 Cb 0.97 -0.74 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 1ngk n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ngk n GLY 67 N 1.45 -1.97 3.72 -0.13 0.00 0.54 -4.87 105.19 103.93 1ngk n GLY 67 Ca 0.00 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1ngk n GLY 67 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ngk s HIS 68 N 0.00 2.96 0.23 1.61 5.65 -1.26 -4.26 115.29 120.21 1ngk s HIS 68 Ca 0.00 0.46 -0.32 0.00 0.25 0.00 0.00 55.06 55.45 1ngk s HIS 68 Cb 0.00 -4.05 -0.13 0.00 -1.18 0.00 0.00 32.58 27.22 1ngk s HIS 68 CO 0.00 -3.95 1.54 -2.30 -0.65 0.00 0.00 174.74 169.38 1ngk n PRO 69 N 4.01 2.34 -3.20 2.88 -0.02 -1.26 -4.94 135.00 134.83 1ngk n PRO 69 Ca 0.15 0.84 -0.22 0.00 -2.02 0.00 0.00 63.50 62.24 1ngk n PRO 69 Cb 0.37 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 1ngk n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ngk n ARG 70 N 2.65 0.94 -0.26 -0.52 1.74 -1.26 -5.01 116.66 114.94 1ngk n ARG 70 Ca 0.13 -3.38 -0.06 0.00 -0.77 0.00 0.00 57.85 53.76 1ngk n ARG 70 Cb 0.33 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1ngk n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ngk h LEU 71 N 3.69 0.94 -0.47 0.55 3.38 -1.98 -1.18 115.31 120.25 1ngk h LEU 71 Ca 0.09 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1ngk h LEU 71 Cb 0.89 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1ngk h LEU 71 CO 0.50 0.81 0.24 0.08 0.09 0.00 0.00 178.44 180.15 1ngk h ARG 72 N 1.02 0.45 -0.40 1.13 0.11 -1.96 -0.17 114.38 114.56 1ngk h ARG 72 Ca 0.25 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 60.19 1ngk h ARG 72 Cb 0.11 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 1ngk h ARG 72 CO -0.03 0.30 -0.20 1.98 0.10 0.00 0.00 179.97 182.12 1ngk h MET 73 N 0.47 0.77 0.00 0.08 4.05 -1.85 -0.64 114.93 117.81 1ngk h MET 73 Ca 0.20 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.28 1ngk h MET 73 Cb 0.11 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1ngk h MET 73 CO -0.14 0.90 -0.21 0.00 0.23 0.00 0.00 176.91 177.69 1ngk h ARG 74 N 0.68 0.00 0.00 0.39 2.47 -0.85 -2.67 114.38 114.39 1ngk h ARG 74 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1ngk h ARG 74 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1ngk h ARG 74 CO 0.05 0.21 -0.77 0.45 0.56 0.00 0.00 179.97 180.47 1ngk h HIS 75 N 0.00 0.00 -0.36 3.04 3.86 -0.77 -3.40 115.15 117.51 1ngk h HIS 75 Ca -0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 1ngk h HIS 75 Cb 0.81 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1ngk h HIS 75 CO 0.00 0.00 0.26 0.00 0.86 0.00 0.00 177.93 179.05 1ngk h ALA 76 N 2.41 2.22 0.00 2.45 0.00 -0.75 -0.56 119.26 125.03 1ngk h ALA 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ngk h ALA 76 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ngk h ALA 76 CO 0.00 -0.31 0.00 -1.35 0.00 0.00 0.00 179.25 177.59 1ngk h PRO 77 N 0.09 0.00 -6.44 0.00 0.11 -1.78 -3.45 132.00 120.54 1ngk h PRO 77 Ca 0.17 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.60 1ngk h PRO 77 Cb 0.55 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.47 1ngk h PRO 77 CO -0.02 0.00 -0.75 -0.06 -0.21 0.00 0.00 178.00 176.96 1ngk s PHE 78 N -3.63 2.73 -0.66 0.65 0.40 -0.22 -5.07 117.98 112.18 1ngk s PHE 78 Ca -0.00 -0.15 -0.24 0.00 -0.60 0.00 0.00 56.93 55.95 1ngk s PHE 78 Cb 0.09 -1.53 0.06 0.00 0.51 0.00 0.00 43.02 42.15 1ngk s PHE 78 CO 0.38 0.32 1.02 1.03 0.70 0.00 0.00 175.22 178.68 1ngk s ARG 79 N -1.49 3.17 -0.55 0.44 0.52 -1.26 -4.92 118.95 114.86 1ngk s ARG 79 Ca 0.16 -0.62 -0.10 0.00 -0.52 0.00 0.00 55.73 54.66 1ngk s ARG 79 Cb -0.11 -4.19 0.14 0.00 0.52 0.00 0.00 34.95 31.31 1ngk s ARG 79 CO 0.07 -1.82 0.43 0.42 0.02 0.00 0.00 175.30 174.42 1ngk s ILE 80 N 4.37 4.43 0.32 1.52 1.01 -1.26 -4.91 121.20 126.68 1ngk s ILE 80 Ca 0.26 -2.02 0.02 0.00 0.00 0.00 0.00 60.65 58.90 1ngk s ILE 80 Cb -0.14 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1ngk s ILE 80 CO 0.13 -0.84 0.44 -1.54 0.00 0.00 0.00 174.94 173.13 1ngk n SER 81 N 4.61 0.77 -0.11 3.58 3.41 -1.26 -1.28 113.62 123.33 1ngk n SER 81 Ca -0.03 -1.61 0.17 0.00 -0.26 0.00 0.00 58.87 57.15 1ngk n SER 81 Cb 0.41 -0.27 0.57 0.00 -0.26 0.00 0.00 64.21 64.66 1ngk n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ngk h LEU 82 N 0.00 0.25 -0.41 1.04 3.38 -1.89 -1.82 115.31 115.86 1ngk h LEU 82 Ca -0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1ngk h LEU 82 Cb 0.58 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1ngk h LEU 82 CO 0.17 0.13 -0.07 0.40 0.09 0.00 0.00 178.44 179.16 1ngk h ILE 83 N 0.26 1.27 -0.20 1.22 2.04 -1.96 -1.10 117.51 119.05 1ngk h ILE 83 Ca 0.33 -1.15 -0.21 0.00 1.00 0.00 0.00 64.86 64.83 1ngk h ILE 83 Cb 0.93 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1ngk h ILE 83 CO -0.08 0.39 -0.69 -0.33 0.00 0.00 0.00 178.15 177.44 1ngk h GLU 84 N 0.60 0.80 -0.23 2.37 3.07 -1.79 -1.89 114.58 117.51 1ngk h GLU 84 Ca 0.11 -0.59 0.04 0.00 -0.50 0.00 0.00 59.36 58.42 1ngk h GLU 84 Cb 0.59 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.57 1ngk h GLU 84 CO 0.04 1.21 -0.04 -0.09 -1.40 0.00 0.00 179.01 178.73 1ngk h ARG 85 N 0.57 0.02 -0.55 2.33 1.12 -1.24 0.10 114.38 116.74 1ngk h ARG 85 Ca -0.03 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.79 1ngk h ARG 85 Cb 1.31 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.24 1ngk h ARG 85 CO 0.14 0.01 0.13 -0.44 -3.11 0.00 0.00 179.97 176.70 1ngk h ASP 86 N 0.02 0.83 -0.39 -3.80 3.32 -1.18 -0.46 116.42 114.77 1ngk h ASP 86 Ca 0.11 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1ngk h ASP 86 Cb 0.16 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1ngk h ASP 86 CO -0.22 0.85 0.21 0.00 -1.72 0.00 0.00 179.24 178.36 1ngk h ALA 87 N 1.01 0.49 -0.35 3.45 0.00 -1.09 -0.16 119.26 122.61 1ngk h ALA 87 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 87 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ngk h ALA 87 CO 0.00 0.02 0.21 2.35 0.00 0.00 0.00 179.25 181.83 1ngk h TRP 88 N 0.49 0.40 -0.78 0.00 7.01 -0.57 -2.34 115.95 120.17 1ngk h TRP 88 Ca 0.14 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 1ngk h TRP 88 Cb 0.06 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 1ngk h TRP 88 CO -0.03 0.24 0.32 -0.07 -2.79 0.00 0.00 178.44 176.12 1ngk h LEU 89 N 0.43 1.05 -0.01 0.65 3.38 -0.77 -1.55 115.31 118.49 1ngk h LEU 89 Ca 0.14 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ngk h LEU 89 Cb -0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1ngk h LEU 89 CO -0.06 0.92 -0.17 0.03 0.09 0.00 0.00 178.44 179.25 1ngk h ARG 90 N 1.12 -0.27 -0.77 1.13 3.08 -0.81 0.18 114.38 118.04 1ngk h ARG 90 Ca 0.26 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.38 1ngk h ARG 90 Cb 0.19 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1ngk h ARG 90 CO -0.02 -0.18 0.47 0.00 -1.07 0.00 0.00 179.97 179.17 1ngk h MET 92 N 0.89 0.92 -0.69 0.00 1.85 -0.99 -0.75 114.93 116.15 1ngk h MET 92 Ca 0.32 -0.46 -0.06 0.00 -0.61 0.00 0.00 59.70 58.89 1ngk h MET 92 Cb 0.10 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.11 1ngk h MET 92 CO -0.15 1.12 0.18 0.45 -0.40 0.00 0.00 176.91 178.11 1ngk h HIS 93 N 0.76 1.14 -0.09 1.39 -0.00 -0.37 0.30 115.15 118.28 1ngk h HIS 93 Ca 0.07 -0.12 0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1ngk h HIS 93 Cb 0.93 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 28.00 1ngk h HIS 93 CO 0.06 0.92 -0.03 1.15 -0.00 0.00 0.00 177.93 180.03 1ngk h THR 94 N 1.04 0.90 -0.33 2.45 2.02 -0.98 0.79 112.91 118.80 1ngk h THR 94 Ca 0.22 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.41 1ngk h THR 94 Cb 0.34 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1ngk h THR 94 CO -0.00 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.08 1ngk h ALA 95 N 1.08 0.42 -0.61 6.16 0.00 -0.72 -2.46 119.26 123.13 1ngk h ALA 95 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1ngk h ALA 95 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ngk h ALA 95 CO -0.10 -0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.28 1ngk h VAL 96 N 0.40 1.26 0.00 0.00 2.07 -0.81 -2.56 116.25 116.62 1ngk h VAL 96 Ca 0.13 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ngk h VAL 96 Cb 0.00 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ngk h VAL 96 CO -0.06 0.41 0.00 0.00 0.02 0.00 0.00 177.57 177.94 1ngk h ALA 97 N 1.03 1.00 -0.00 1.67 0.00 -0.52 -1.34 119.26 121.09 1ngk h ALA 97 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ngk h ALA 97 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ngk h ALA 97 CO 0.03 0.00 -0.05 -1.13 0.00 0.00 0.00 179.25 178.10 1ngk n SER 98 N -2.75 0.12 -4.73 0.00 3.41 -0.96 -4.76 113.62 103.95 1ngk n SER 98 Ca -0.01 -0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.12 1ngk n SER 98 Cb 0.13 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 1ngk n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ngk s ILE 99 N -2.65 5.30 0.83 -1.33 -1.09 -0.51 -5.07 121.20 116.67 1ngk s ILE 99 Ca 0.25 0.58 -0.11 0.00 -2.23 0.00 0.00 60.65 59.14 1ngk s ILE 99 Cb 0.20 -3.65 0.09 0.00 -1.58 0.00 0.00 42.46 37.52 1ngk s ILE 99 CO 0.49 0.38 1.09 1.51 -1.23 0.00 0.00 174.94 177.18 1ngk s ASP 100 N 0.50 4.14 0.43 3.58 1.47 -1.26 -4.79 116.67 120.73 1ngk s ASP 100 Ca 0.17 1.47 0.23 0.00 1.18 0.00 0.00 52.55 55.60 1ngk s ASP 100 Cb -0.13 -2.19 0.89 0.00 -0.34 0.00 0.00 42.92 41.15 1ngk s ASP 100 CO 0.04 -2.21 1.82 0.77 0.68 0.00 0.00 175.17 176.27 1ngk h SER 101 N -1.25 0.00 -0.35 2.11 4.64 -1.97 -0.70 113.55 116.02 1ngk h SER 101 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1ngk h SER 101 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1ngk h SER 101 CO 0.56 0.25 -0.26 -0.33 -0.87 0.00 0.00 176.83 176.18 1ngk h GLU 102 N 0.00 0.86 0.01 4.77 4.39 -1.98 -2.63 114.58 120.00 1ngk h GLU 102 Ca -0.00 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.32 1ngk h GLU 102 Cb 0.76 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1ngk h GLU 102 CO 0.03 1.02 -0.00 1.15 -1.16 0.00 0.00 179.01 180.05 1ngk h THR 103 N 0.74 1.53 -3.51 1.13 2.02 -1.87 -3.41 112.91 109.53 1ngk h THR 103 Ca 0.09 -2.02 -0.67 0.00 0.77 0.00 0.00 66.41 64.58 1ngk h THR 103 Cb 0.81 2.83 -0.38 0.00 -1.74 0.00 0.00 68.15 69.66 1ngk h THR 103 CO 0.07 0.50 -0.57 -0.22 0.37 0.00 0.00 175.52 175.67 1ngk s LEU 104 N -8.40 4.79 1.04 2.58 2.96 -0.29 -4.51 118.68 116.86 1ngk s LEU 104 Ca -0.16 -2.64 -0.14 0.00 -0.22 0.00 0.00 54.13 50.97 1ngk s LEU 104 Cb -0.02 -1.72 0.21 0.00 0.50 0.00 0.00 46.19 45.16 1ngk s LEU 104 CO 0.61 -0.35 1.10 1.51 -1.32 0.00 0.00 176.35 177.90 1ngk s ASP 105 N 0.54 2.29 0.21 3.68 1.47 -0.99 -4.18 116.67 119.68 1ngk s ASP 105 Ca 0.14 1.03 -0.10 0.00 1.18 0.00 0.00 52.55 54.81 1ngk s ASP 105 Cb -0.22 -1.60 0.27 0.00 -0.34 0.00 0.00 42.92 41.02 1ngk s ASP 105 CO -0.03 -3.32 1.75 0.44 0.68 0.00 0.00 175.17 174.69 1ngk h ASP 106 N -2.02 0.28 -0.53 2.11 5.19 -1.98 -0.12 116.42 119.34 1ngk h ASP 106 Ca -0.53 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 55.92 1ngk h ASP 106 Cb 1.33 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 1ngk h ASP 106 CO 0.54 0.17 0.21 -0.08 -3.12 0.00 0.00 179.24 176.95 1ngk h GLU 107 N 0.45 0.79 0.04 3.56 4.81 -1.99 -1.70 114.58 120.54 1ngk h GLU 107 Ca 0.30 -0.14 -0.26 0.00 -0.13 0.00 0.00 59.36 59.13 1ngk h GLU 107 Cb 0.34 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ngk h GLU 107 CO -0.28 0.70 -1.06 0.45 -0.73 0.00 0.00 179.01 178.08 1ngk h HIS 108 N 0.72 0.78 -0.04 0.92 3.86 -1.80 -2.38 115.15 117.19 1ngk h HIS 108 Ca 0.18 -0.45 0.03 0.00 -1.16 0.00 0.00 60.37 58.97 1ngk h HIS 108 Cb 0.20 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1ngk h HIS 108 CO 0.01 1.29 -0.20 -0.09 0.86 0.00 0.00 177.93 179.80 1ngk h ARG 109 N 0.26 -0.29 -0.52 2.45 2.43 -0.97 -0.08 114.38 117.66 1ngk h ARG 109 Ca -0.12 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1ngk h ARG 109 Cb 1.72 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 31.31 1ngk h ARG 109 CO 0.19 -0.19 0.31 0.00 -1.51 0.00 0.00 179.97 178.77 1ngk h ARG 110 N -0.30 0.72 -0.43 0.20 2.47 -1.31 -1.63 114.38 114.10 1ngk h ARG 110 Ca 0.07 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1ngk h ARG 110 Cb 0.40 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 1ngk h ARG 110 CO -0.22 0.53 0.26 1.49 0.56 0.00 0.00 179.97 182.59 1ngk h GLU 111 N 0.70 0.51 -0.10 0.04 4.81 -1.19 -0.70 114.58 118.66 1ngk h GLU 111 Ca 0.19 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1ngk h GLU 111 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1ngk h GLU 111 CO -0.03 0.34 0.02 1.25 -0.73 0.00 0.00 179.01 179.85 1ngk h LEU 112 N 0.53 -0.00 -0.63 1.64 5.85 -0.78 -2.24 115.31 119.67 1ngk h LEU 112 Ca 0.17 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1ngk h LEU 112 Cb -0.01 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ngk h LEU 112 CO -0.07 0.01 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.52 1ngk h LEU 113 N 0.06 0.58 -0.45 2.25 3.38 -1.14 -1.36 115.31 118.63 1ngk h LEU 113 Ca 0.05 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1ngk h LEU 113 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ngk h LEU 113 CO -0.06 0.95 0.27 0.44 0.09 0.00 0.00 178.44 180.13 1ngk h ASP 114 N 0.43 0.45 0.46 -0.43 3.45 -1.05 -0.86 116.42 118.88 1ngk h ASP 114 Ca 0.03 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 1ngk h ASP 114 Cb 0.97 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.64 1ngk h ASP 114 CO 0.09 0.32 -0.22 0.22 -1.57 0.00 0.00 179.24 178.08 1ngk h TYR 115 N 0.55 -0.58 -0.98 4.55 5.03 -1.05 -1.68 116.97 122.81 1ngk h TYR 115 Ca 0.18 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.60 1ngk h TYR 115 Cb -0.01 0.19 -0.09 0.00 1.55 0.00 0.00 36.73 38.38 1ngk h TYR 115 CO -0.06 -0.32 0.61 -0.07 -1.32 0.00 0.00 178.16 176.99 1ngk h LEU 116 N -0.70 0.88 0.11 2.82 3.38 -1.20 0.16 115.31 120.76 1ngk h LEU 116 Ca -0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ngk h LEU 116 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ngk h LEU 116 CO 0.10 0.46 -0.05 -0.08 0.09 0.00 0.00 178.44 178.96 1ngk h GLU 117 N 0.95 -0.14 -0.73 1.13 4.57 -1.02 -0.74 114.58 118.61 1ngk h GLU 117 Ca 0.49 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.66 1ngk h GLU 117 Cb 0.50 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1ngk h GLU 117 CO -0.27 -0.01 0.37 1.98 -1.18 0.00 0.00 179.01 179.89 1ngk h MET 118 N -0.23 1.03 -0.18 1.92 1.85 -0.46 -1.97 114.93 116.89 1ngk h MET 118 Ca -0.01 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 58.91 1ngk h MET 118 Cb 0.19 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1ngk h MET 118 CO 0.02 0.79 -0.00 0.00 -0.40 0.00 0.00 176.91 177.33 1ngk h ALA 119 N 1.18 0.24 -0.36 0.39 0.00 -0.60 -2.34 119.26 117.77 1ngk h ALA 119 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ngk h ALA 119 Cb 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ngk h ALA 119 CO -0.04 -0.05 0.15 0.00 0.00 0.00 0.00 179.25 179.32 1ngk h ALA 120 N 0.77 0.47 -0.81 0.00 0.00 -1.04 -2.23 119.26 116.42 1ngk h ALA 120 Ca 0.05 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ngk h ALA 120 Cb 0.39 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1ngk h ALA 120 CO 0.01 0.06 0.53 0.45 0.00 0.00 0.00 179.25 180.30 1ngk h HIS 121 N 0.44 0.87 0.00 0.00 3.86 -1.34 -2.33 115.15 116.64 1ngk h HIS 121 Ca 0.12 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1ngk h HIS 121 Cb 0.17 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.36 1ngk h HIS 121 CO -0.01 0.44 0.00 0.43 0.86 0.00 0.00 177.93 179.66 1ngk n SER 122 N -4.49 0.45 -0.89 2.45 7.64 -0.86 -2.95 113.62 114.96 1ngk n SER 122 Ca 0.13 0.56 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1ngk n SER 122 Cb 0.25 -0.68 0.17 0.00 -1.01 0.00 0.00 64.21 62.94 1ngk n SER 122 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngk n LEU 123 N -1.94 2.78 -4.71 -3.43 4.77 -0.88 -4.92 117.00 108.67 1ngk n LEU 123 Ca 0.05 -0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 1ngk n LEU 123 Cb 0.33 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1ngk n LEU 123 CO 0.25 0.47 1.24 -0.69 -1.33 0.00 0.00 177.39 177.32 1ngk s VAL 124 N -1.99 2.89 -0.00 4.08 1.01 -1.15 -4.83 120.40 120.40 1ngk s VAL 124 Ca 0.30 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1ngk s VAL 124 Cb 0.20 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1ngk s VAL 124 CO 0.31 0.03 0.82 -0.46 0.00 0.00 0.00 175.10 175.79 1ngk n ASN 125 N 4.57 0.08 -3.72 3.32 0.23 -0.41 -5.04 115.26 114.30 1ngk n ASN 125 Ca 0.14 -1.65 -0.14 0.00 -0.53 0.00 0.00 54.58 52.40 1ngk n ASN 125 Cb 0.40 -0.13 -0.09 0.00 -2.08 0.00 0.00 39.78 37.88 1ngk n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1ngk s SER 126 N -0.67 -0.41 0.40 0.53 0.15 -1.03 -4.78 113.70 107.89 1ngk s SER 126 Ca 0.01 0.68 0.22 0.00 0.70 0.00 0.00 55.95 57.55 1ngk s SER 126 Cb 0.01 0.73 0.59 0.00 -1.71 0.00 0.00 66.02 65.63 1ngk s SER 126 CO 0.00 -0.26 1.68 -0.65 1.20 0.00 0.00 173.24 175.21 1ngk h PRO 127 N 4.86 0.00 0.00 5.44 0.11 -1.99 -3.37 132.00 137.05 1ngk h PRO 127 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ngk h PRO 127 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ngk h PRO 127 CO 0.28 0.26 0.00 1.97 -0.21 0.00 0.00 178.00 180.31