#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk h LYS 3 N 0.00 0.32 -6.99 -0.52 3.64 -2.02 -3.39 116.57 107.62 1ngk h LYS 3 Ca 0.00 -0.55 -0.55 0.00 -1.27 0.00 0.00 60.65 58.28 1ngk h LYS 3 Cb 0.00 0.21 0.13 0.00 -0.41 0.00 0.00 32.23 32.15 1ngk h LYS 3 CO 0.00 1.21 0.66 -1.13 -2.27 0.00 0.00 179.45 177.92 1ngk n SER 4 N -3.52 3.07 -0.28 4.20 3.41 -1.26 -4.79 113.62 114.45 1ngk n SER 4 Ca -0.22 1.08 0.06 0.00 -0.26 0.00 0.00 58.87 59.53 1ngk n SER 4 Cb 1.06 -1.59 0.21 0.00 -0.26 0.00 0.00 64.21 63.64 1ngk n SER 4 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ngk h PHE 5 N 2.01 0.69 -0.09 7.33 3.57 -1.93 0.82 116.94 129.34 1ngk h PHE 5 Ca -0.51 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.07 1ngk h PHE 5 Cb 1.28 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 1ngk h PHE 5 CO 0.48 0.15 -0.27 -0.92 -2.23 0.00 0.00 178.31 175.52 1ngk h TYR 6 N 0.57 -0.73 -0.32 0.41 3.20 -1.36 -2.16 116.97 116.59 1ngk h TYR 6 Ca 0.44 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.20 1ngk h TYR 6 Cb 0.64 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1ngk h TYR 6 CO -0.11 -0.35 -0.38 -0.44 -1.64 0.00 0.00 178.16 175.24 1ngk h ASP 7 N -0.36 0.80 -0.85 -2.11 3.32 -1.71 0.14 116.42 115.65 1ngk h ASP 7 Ca 0.09 -0.35 0.16 0.00 0.02 0.00 0.00 57.03 56.94 1ngk h ASP 7 Cb 0.49 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 1ngk h ASP 7 CO -0.29 1.08 0.55 0.00 -1.72 0.00 0.00 179.24 178.87 1ngk h ALA 8 N 0.95 2.01 -0.21 3.45 0.00 -0.48 -1.57 119.26 123.42 1ngk h ALA 8 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 8 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ngk h ALA 8 CO 0.08 -0.25 0.00 1.33 0.00 0.00 0.00 179.25 180.41 1ngk n VAL 9 N -4.52 0.26 0.00 0.00 0.24 -0.85 -4.91 118.33 108.55 1ngk n VAL 9 Ca 0.17 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1ngk n VAL 9 Cb 0.54 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 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 1.28 1.14 7.00 7.63 0.00 -0.59 -4.60 105.19 117.06 1ngk n GLY 10 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.58 1.79 0.33 -0.02 0.00 0.49 -3.58 105.19 102.62 1ngk n GLY 11 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.64 1.53 -0.96 4.61 0.00 -1.96 -1.46 119.26 120.38 1ngk h ALA 12 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ngk h ALA 12 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1ngk h ALA 12 CO 0.00 -0.15 0.63 -0.22 0.00 0.00 0.00 179.25 179.52 1ngk h LYS 13 N 0.63 1.22 -0.10 0.00 3.64 -1.97 -0.34 116.57 119.64 1ngk h LYS 13 Ca 0.55 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.78 1ngk h LYS 13 Cb 0.91 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1ngk h LYS 13 CO -0.42 0.81 -0.25 1.15 -2.27 0.00 0.00 179.45 178.47 1ngk h THR 14 N 1.26 1.39 -0.24 1.00 2.02 -1.36 -1.99 112.91 114.99 1ngk h THR 14 Ca 0.37 -1.56 -0.11 0.00 0.77 0.00 0.00 66.41 65.88 1ngk h THR 14 Cb -0.07 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1ngk h THR 14 CO -0.10 0.45 -0.32 -0.26 0.37 0.00 0.00 175.52 175.66 1ngk h PHE 15 N -0.08 0.57 -0.66 3.16 0.04 -1.34 0.52 116.94 119.15 1ngk h PHE 15 Ca -0.00 -0.14 -0.07 0.00 2.80 0.00 0.00 57.97 60.55 1ngk h PHE 15 Cb 0.86 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1ngk h PHE 15 CO 0.11 0.76 0.12 0.22 -0.60 0.00 0.00 178.31 178.92 1ngk h ASP 16 N 0.42 1.04 -0.28 2.17 1.82 -1.09 -1.33 116.42 119.17 1ngk h ASP 16 Ca 0.05 -0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.42 1ngk h ASP 16 Cb 0.77 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1ngk h ASP 16 CO 0.06 1.03 0.11 0.00 -1.61 0.00 0.00 179.24 178.82 1ngk h ALA 17 N 1.05 0.37 0.56 -0.78 0.00 -0.68 -0.40 119.26 119.39 1ngk h ALA 17 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ngk h ALA 17 Cb 0.42 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ngk h ALA 17 CO 0.01 -0.02 -0.27 0.82 0.00 0.00 0.00 179.25 179.79 1ngk h ILE 18 N 0.31 0.40 -0.29 0.00 2.04 -0.82 -1.38 117.51 117.76 1ngk h ILE 18 Ca 0.09 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 1ngk h ILE 18 Cb 0.20 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1ngk h ILE 18 CO -0.01 0.03 -0.08 0.58 0.00 0.00 0.00 178.15 178.67 1ngk h VAL 19 N -0.90 1.21 0.04 1.67 2.07 -1.27 0.34 116.25 119.41 1ngk h VAL 19 Ca -0.08 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1ngk h VAL 19 Cb 0.63 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1ngk h VAL 19 CO 0.13 0.30 -0.02 -1.28 0.02 0.00 0.00 177.57 176.72 1ngk h SER 20 N 0.44 -0.04 -0.15 0.57 0.87 -1.07 -1.01 113.55 113.16 1ngk h SER 20 Ca 0.09 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 1ngk h SER 20 Cb 0.42 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1ngk h SER 20 CO 0.02 0.29 -0.15 0.03 -0.53 0.00 0.00 176.83 176.49 1ngk h ARG 21 N -0.37 0.54 0.32 2.24 3.08 -0.94 -2.36 114.38 116.88 1ngk h ARG 21 Ca -0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1ngk h ARG 21 Cb 0.34 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1ngk h ARG 21 CO 0.01 0.67 -0.37 0.35 -1.07 0.00 0.00 179.97 179.56 1ngk h PHE 22 N 0.49 -1.02 0.00 3.04 3.57 -0.22 -1.36 116.94 121.45 1ngk h PHE 22 Ca 0.09 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1ngk h PHE 22 Cb 0.54 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1ngk h PHE 22 CO 0.02 -0.51 -0.13 1.88 -2.23 0.00 0.00 178.31 177.33 1ngk h TYR 23 N -0.74 0.00 -0.33 0.41 0.05 -1.12 -0.35 116.97 114.89 1ngk h TYR 23 Ca -0.02 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 1ngk h TYR 23 Cb 0.68 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1ngk h TYR 23 CO -0.23 0.13 -0.30 0.00 -1.05 0.00 0.00 178.16 176.71 1ngk h ALA 24 N 1.87 0.85 -0.29 3.88 0.00 -1.14 -2.29 119.26 122.14 1ngk h ALA 24 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1ngk h ALA 24 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ngk h ALA 24 CO 0.02 0.64 0.06 1.96 0.00 0.00 0.00 179.25 181.92 1ngk h GLN 25 N 0.60 0.46 -0.86 0.00 1.08 0.02 -3.07 115.11 113.35 1ngk h GLN 25 Ca 0.07 -0.12 0.17 0.00 -1.45 0.00 0.00 58.65 57.33 1ngk h GLN 25 Cb 0.81 -0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 28.08 1ngk h GLN 25 CO 0.07 0.56 0.41 0.28 -0.95 0.00 0.00 178.83 179.20 1ngk h VAL 26 N 0.29 0.63 -0.84 -0.54 2.07 -0.94 0.15 116.25 117.08 1ngk h VAL 26 Ca 0.09 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.53 1ngk h VAL 26 Cb 0.31 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1ngk h VAL 26 CO 0.00 0.10 0.54 0.00 0.02 0.00 0.00 177.57 178.23 1ngk h ALA 27 N 1.61 1.73 -0.40 1.67 0.00 -1.32 -1.91 119.26 120.64 1ngk h ALA 27 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ngk h ALA 27 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ngk h ALA 27 CO -0.43 0.09 0.00 -1.91 0.00 0.00 0.00 179.25 177.00 1ngk n GLU 28 N -4.52 2.32 -3.15 0.00 4.07 0.43 -4.83 120.64 114.96 1ngk n GLU 28 Ca 0.14 -2.01 -0.43 0.00 -0.06 0.00 0.00 57.16 54.80 1ngk n GLU 28 Cb 0.34 -1.48 -0.07 0.00 -0.06 0.00 0.00 31.44 30.17 1ngk n GLU 28 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1ngk s ASP 29 N -1.39 6.31 0.53 4.31 -1.08 -0.65 -4.95 116.67 119.76 1ngk s ASP 29 Ca 0.38 -0.33 0.31 0.00 -0.52 0.00 0.00 52.55 52.39 1ngk s ASP 29 Cb 0.21 -2.30 1.46 0.00 -1.46 0.00 0.00 42.92 40.83 1ngk s ASP 29 CO 0.30 -0.71 1.88 -0.08 0.52 0.00 0.00 175.17 177.07 1ngk h GLU 30 N 8.79 0.03 0.00 4.34 4.57 -1.89 0.22 114.58 130.64 1ngk h GLU 30 Ca -0.26 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1ngk h GLU 30 Cb 1.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1ngk h GLU 30 CO 0.86 0.02 -0.24 0.28 -1.18 0.00 0.00 179.01 178.76 1ngk h VAL 31 N 0.03 0.92 0.00 0.32 2.07 -1.93 -3.40 116.25 114.27 1ngk h VAL 31 Ca 0.44 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1ngk h VAL 31 Cb 1.72 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1ngk h VAL 31 CO -0.02 0.31 -0.24 -0.07 0.02 0.00 0.00 177.57 177.57 1ngk h LEU 32 N -1.00 0.00 -0.93 2.57 3.38 -1.73 -3.26 115.31 114.35 1ngk h LEU 32 Ca -0.05 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.18 1ngk h LEU 32 Cb 0.68 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.27 1ngk h LEU 32 CO -0.03 0.18 0.17 0.03 0.09 0.00 0.00 178.44 178.88 1ngk h ARG 33 N 0.00 0.10 -0.68 1.13 3.08 -0.58 -1.04 114.38 116.38 1ngk h ARG 33 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ngk h ARG 33 Cb 1.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1ngk h ARG 33 CO 0.02 0.06 0.00 0.54 -1.07 0.00 0.00 179.97 179.53 1ngk n ARG 34 N -5.34 2.67 -0.13 0.04 5.12 -1.23 -4.31 116.66 113.48 1ngk n ARG 34 Ca 0.23 -2.58 -0.27 0.00 -1.93 0.00 0.00 57.85 53.30 1ngk n ARG 34 Cb 0.77 -1.56 -0.11 0.00 -1.16 0.00 0.00 32.46 30.40 1ngk n ARG 34 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ngk n VAL 35 N 1.62 1.53 -2.18 1.55 0.31 -0.42 -4.90 118.33 115.85 1ngk n VAL 35 Ca 0.24 -0.31 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 1ngk n VAL 35 Cb 0.62 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 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 -2.47 2.29 -0.42 3.52 1.51 -1.08 -4.91 117.35 115.78 1ngk s TYR 36 Ca -0.36 0.57 -0.38 0.00 -1.01 0.00 0.00 57.07 55.89 1ngk s TYR 36 Cb 0.12 -3.84 -0.16 0.00 -0.11 0.00 0.00 41.96 37.97 1ngk s TYR 36 CO 0.52 -2.83 1.50 -2.30 -1.11 0.00 0.00 175.55 171.33 1ngk n PRO 37 N 7.22 0.00 0.23 -1.71 -0.02 -1.26 -4.80 135.00 134.66 1ngk n PRO 37 Ca 0.17 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.81 1ngk n PRO 37 Cb 0.44 -1.25 0.85 0.00 -0.02 0.00 0.00 33.50 33.52 1ngk n PRO 37 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ngk h GLU 38 N 5.42 0.00 -0.01 -0.52 4.22 -1.91 -2.73 114.58 119.05 1ngk h GLU 38 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.18 1ngk h GLU 38 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ngk h GLU 38 CO 0.85 0.00 -0.31 -0.40 -2.18 0.00 0.00 179.01 176.97 1ngk n ASP 39 N -3.85 1.72 -1.05 1.04 3.85 -1.26 -4.41 116.55 112.58 1ngk n ASP 39 Ca 0.00 -1.34 0.05 0.00 -0.71 0.00 0.00 54.79 52.79 1ngk n ASP 39 Cb 0.24 0.27 0.09 0.00 -1.35 0.00 0.00 41.12 40.37 1ngk n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1ngk n ASP 40 N -0.10 1.24 -0.35 -1.12 2.03 -1.03 -4.89 116.55 112.33 1ngk n ASP 40 Ca 0.12 -2.72 -0.03 0.00 0.52 0.00 0.00 54.79 52.67 1ngk n ASP 40 Cb 0.43 -0.38 0.09 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.89 1.11 -0.07 -2.67 3.38 -1.77 -2.19 115.31 113.98 1ngk h LEU 41 Ca -0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1ngk h LEU 41 Cb 1.51 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1ngk h LEU 41 CO 0.05 0.84 0.02 0.00 0.09 0.00 0.00 178.44 179.45 1ngk h ALA 42 N 1.32 0.10 -0.77 1.53 0.00 -1.94 -2.41 119.26 117.07 1ngk h ALA 42 Ca 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ngk h ALA 42 Cb -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1ngk h ALA 42 CO -0.07 -0.30 0.46 0.78 0.00 0.00 0.00 179.25 180.12 1ngk h GLY 43 N -0.06 1.12 0.92 0.00 0.00 -1.91 -1.63 103.07 101.50 1ngk h GLY 43 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1ngk h GLY 43 CO -0.00 0.45 0.09 0.00 0.00 0.00 0.00 176.54 177.08 1ngk h ALA 44 N 1.44 0.25 -0.58 3.60 0.00 -1.30 -1.15 119.26 121.53 1ngk h ALA 44 Ca 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ngk h ALA 44 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1ngk h ALA 44 CO -0.05 -0.18 0.36 1.49 0.00 0.00 0.00 179.25 180.86 1ngk h GLU 45 N 0.19 0.69 -0.54 0.00 4.81 -1.13 -1.67 114.58 116.92 1ngk h GLU 45 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ngk h GLU 45 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1ngk h GLU 45 CO -0.01 0.46 0.35 1.49 -0.73 0.00 0.00 179.01 180.57 1ngk h GLU 46 N 0.71 0.72 -0.39 1.92 4.81 -0.99 -0.58 114.58 120.78 1ngk h GLU 46 Ca 0.23 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1ngk h GLU 46 Cb 0.00 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1ngk h GLU 46 CO -0.09 0.49 -0.06 0.00 -0.73 0.00 0.00 179.01 178.62 1ngk h ARG 47 N 0.73 0.73 -0.59 1.92 3.08 -0.93 -0.79 114.38 118.53 1ngk h ARG 47 Ca 0.20 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1ngk h ARG 47 Cb -0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1ngk h ARG 47 CO -0.04 0.85 0.29 1.25 -1.07 0.00 0.00 179.97 181.24 1ngk h LEU 48 N 0.54 0.78 0.11 3.04 5.85 -1.13 0.91 115.31 125.41 1ngk h LEU 48 Ca 0.10 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ngk h LEU 48 Cb 0.56 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ngk h LEU 48 CO 0.03 0.69 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.68 1ngk h ARG 49 N 0.81 -0.14 -0.62 1.25 2.43 -0.97 -0.88 114.38 116.25 1ngk h ARG 49 Ca 0.20 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.45 1ngk h ARG 49 Cb 0.12 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1ngk h ARG 49 CO -0.03 -0.03 0.31 0.52 -1.51 0.00 0.00 179.97 179.23 1ngk h MET 50 N -0.22 0.54 -0.08 0.20 2.86 -0.98 0.63 114.93 117.88 1ngk h MET 50 Ca -0.02 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1ngk h MET 50 Cb 0.18 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ngk h MET 50 CO 0.02 0.36 0.01 0.35 1.06 0.00 0.00 176.91 178.71 1ngk h PHE 51 N 0.56 0.01 -0.55 -0.22 3.57 -0.58 -1.05 116.94 118.68 1ngk h PHE 51 Ca 0.29 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 1ngk h PHE 51 Cb 0.25 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1ngk h PHE 51 CO -0.11 -0.00 0.01 -0.07 -2.23 0.00 0.00 178.31 175.91 1ngk h LEU 52 N 0.04 0.95 -0.49 0.59 3.38 -0.54 0.77 115.31 120.01 1ngk h LEU 52 Ca 0.04 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.80 1ngk h LEU 52 Cb 0.04 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 1ngk h LEU 52 CO -0.06 1.02 0.01 -0.33 0.09 0.00 0.00 178.44 179.17 1ngk h GLU 53 N 0.85 0.13 0.13 1.13 5.08 -0.79 -1.99 114.58 119.12 1ngk h GLU 53 Ca 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1ngk h GLU 53 Cb 0.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ngk h GLU 53 CO 0.03 0.08 -0.06 0.37 -1.00 0.00 0.00 179.01 178.43 1ngk h GLN 54 N 0.13 -0.17 -0.85 2.33 4.15 -0.73 0.40 115.11 120.38 1ngk h GLN 54 Ca 0.24 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.85 1ngk h GLN 54 Cb 0.36 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 27.98 1ngk h GLN 54 CO -0.39 0.07 0.39 -0.92 -1.93 0.00 0.00 178.83 176.04 1ngk h TYR 55 N -0.38 0.67 -0.28 3.99 5.03 -0.57 -1.33 116.97 124.09 1ngk h TYR 55 Ca -0.02 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 1ngk h TYR 55 Cb 0.31 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.42 1ngk h TYR 55 CO -0.00 0.07 0.01 0.91 -1.32 0.00 0.00 178.16 177.82 1ngk n TRP 56 N -4.97 1.00 -0.61 -3.82 7.02 -0.77 -4.87 117.44 110.42 1ngk n TRP 56 Ca 0.18 -0.36 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1ngk n TRP 56 Cb 0.52 -0.30 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.29 0.68 0.00 6.99 0.00 -0.50 -0.94 105.19 111.70 1ngk n GLY 57 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.61 -0.28 3.65 -0.02 0.00 0.14 -4.82 105.19 101.25 1ngk n GLY 58 Ca 0.00 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 1.55 -0.85 1.61 -0.02 -1.26 -4.61 135.00 131.42 1ngk n PRO 59 Ca 0.00 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1ngk n PRO 59 Cb 0.00 -2.18 0.25 0.00 -0.02 0.00 0.00 33.50 31.55 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 0.03 3.26 -0.27 -0.52 1.74 -1.26 -3.19 116.66 116.45 1ngk n ARG 60 Ca 0.09 -2.53 -0.04 0.00 -0.77 0.00 0.00 57.85 54.60 1ngk n ARG 60 Cb 0.40 -2.06 0.08 0.00 -1.02 0.00 0.00 32.46 29.85 1ngk n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1ngk h THR 61 N 2.21 1.15 -0.60 0.55 2.02 -1.90 -2.86 112.91 113.49 1ngk h THR 61 Ca 0.22 -0.34 0.11 0.00 0.77 0.00 0.00 66.41 67.18 1ngk h THR 61 Cb 2.07 0.09 -0.12 0.00 -1.74 0.00 0.00 68.15 68.45 1ngk h THR 61 CO 0.62 0.18 -0.29 0.22 0.37 0.00 0.00 175.52 176.62 1ngk h TYR 62 N 0.98 -0.77 -0.61 3.16 3.20 -1.79 -0.98 116.97 120.15 1ngk h TYR 62 Ca 0.29 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 1ngk h TYR 62 Cb -0.05 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1ngk h TYR 62 CO -0.03 -0.36 0.17 1.03 -1.64 0.00 0.00 178.16 177.33 1ngk h SER 63 N -0.13 0.88 -0.54 -2.11 0.87 -1.71 0.26 113.55 111.07 1ngk h SER 63 Ca 0.25 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1ngk h SER 63 Cb 0.54 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1ngk h SER 63 CO -0.67 0.84 0.04 -0.33 -0.53 0.00 0.00 176.83 176.18 1ngk h GLU 64 N 0.91 0.97 0.12 2.24 5.08 -1.19 -0.01 114.58 122.70 1ngk h GLU 64 Ca 0.20 -0.27 -0.30 0.00 -1.00 0.00 0.00 59.36 57.99 1ngk h GLU 64 Cb 0.30 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ngk h GLU 64 CO -0.00 0.93 -1.46 1.96 -1.00 0.00 0.00 179.01 179.44 1ngk h GLN 65 N 0.90 0.25 0.00 2.33 1.08 -0.85 -3.41 115.11 115.41 1ngk h GLN 65 Ca 0.17 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 56.94 1ngk h GLN 65 Cb 0.47 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1ngk h GLN 65 CO 0.02 1.13 -1.25 0.54 -0.95 0.00 0.00 178.83 178.31 1ngk n ARG 66 N -3.46 0.58 0.00 1.46 5.12 0.88 -5.11 116.66 116.13 1ngk n ARG 66 Ca -0.14 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 1ngk n ARG 66 Cb 1.04 -1.13 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 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 2.27 -1.83 3.58 -0.13 0.00 -0.02 -4.88 105.19 104.18 1ngk n GLY 67 Ca -0.02 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.74 1ngk n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ngk n HIS 68 N 0.00 1.06 -0.27 1.61 8.25 -1.26 -4.36 115.22 120.25 1ngk n HIS 68 Ca 0.00 0.67 0.08 0.00 -0.26 0.00 0.00 57.72 58.20 1ngk n HIS 68 Cb 0.00 -2.22 0.22 0.00 1.12 0.00 0.00 29.99 29.11 1ngk n HIS 68 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ngk h PRO 69 N 1.77 0.43 -6.93 -0.41 0.11 -1.97 -3.46 132.00 121.54 1ngk h PRO 69 Ca -0.40 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.09 1ngk h PRO 69 Cb 1.35 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.19 1ngk h PRO 69 CO 0.59 0.28 -0.94 0.54 -0.21 0.00 0.00 178.00 178.26 1ngk n ARG 70 N -5.01 -1.59 -0.28 1.05 1.74 -1.26 -4.75 116.66 106.56 1ngk n ARG 70 Ca 0.17 0.18 -0.05 0.00 -0.77 0.00 0.00 57.85 57.38 1ngk n ARG 70 Cb 0.48 -3.89 0.09 0.00 -1.02 0.00 0.00 32.46 28.12 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 -1.77 1.06 -0.47 0.55 4.07 -1.98 -0.68 115.31 116.08 1ngk h LEU 71 Ca -0.65 -0.15 0.08 0.00 0.08 0.00 0.00 57.88 57.24 1ngk h LEU 71 Cb 1.39 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 42.79 1ngk h LEU 71 CO 0.69 0.93 0.06 0.03 -1.08 0.00 0.00 178.44 179.07 1ngk h ARG 72 N 1.13 0.18 -0.11 1.13 2.47 -1.94 0.42 114.38 117.66 1ngk h ARG 72 Ca 0.26 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.82 1ngk h ARG 72 Cb 0.19 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1ngk h ARG 72 CO -0.02 0.12 -0.57 0.52 0.56 0.00 0.00 179.97 180.57 1ngk h MET 73 N 0.19 0.36 -0.16 0.04 2.86 -1.77 -1.18 114.93 115.26 1ngk h MET 73 Ca 0.24 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1ngk h MET 73 Cb 0.33 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1ngk h MET 73 CO -0.34 0.83 -0.04 0.00 1.06 0.00 0.00 176.91 178.42 1ngk h ARG 74 N 0.27 0.24 -0.00 1.72 2.47 -0.49 -2.91 114.38 115.68 1ngk h ARG 74 Ca -0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1ngk h ARG 74 Cb 1.09 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1ngk h ARG 74 CO 0.10 0.30 -0.66 0.72 0.56 0.00 0.00 179.97 180.99 1ngk n HIS 75 N -4.36 0.00 -0.28 3.04 8.25 0.08 -4.42 115.22 117.53 1ngk n HIS 75 Ca -0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1ngk n HIS 75 Cb 0.20 -0.10 0.40 0.00 1.12 0.00 0.00 29.99 31.61 1ngk n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngk h ALA 76 N 3.22 1.91 0.00 -1.41 0.00 -1.00 -0.42 119.26 121.56 1ngk h ALA 76 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ngk h ALA 76 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ngk h ALA 76 CO 0.00 -0.19 0.13 -1.35 0.00 0.00 0.00 179.25 177.84 1ngk h PRO 77 N 0.63 0.00 -6.62 0.00 0.11 -1.77 -3.43 132.00 120.91 1ngk h PRO 77 Ca 0.48 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.91 1ngk h PRO 77 Cb 0.89 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.81 1ngk h PRO 77 CO -0.23 0.00 -0.79 -0.06 -0.21 0.00 0.00 178.00 176.71 1ngk s PHE 78 N -3.92 2.60 -0.73 0.65 0.40 -0.17 -5.07 117.98 111.74 1ngk s PHE 78 Ca -0.04 -0.23 -0.21 0.00 -0.60 0.00 0.00 56.93 55.86 1ngk s PHE 78 Cb 0.09 -1.41 0.10 0.00 0.51 0.00 0.00 43.02 42.31 1ngk s PHE 78 CO 0.29 0.35 0.96 1.03 0.70 0.00 0.00 175.22 178.55 1ngk s ARG 79 N -1.89 3.24 -0.45 0.44 0.52 -1.26 -4.91 118.95 114.65 1ngk s ARG 79 Ca 0.17 -1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 54.03 1ngk s ARG 79 Cb -0.11 -4.44 0.07 0.00 0.52 0.00 0.00 34.95 31.00 1ngk s ARG 79 CO 0.09 -1.74 0.34 0.42 0.02 0.00 0.00 175.30 174.43 1ngk s ILE 80 N 3.34 4.86 0.30 1.52 1.01 -1.26 -4.91 121.20 126.05 1ngk s ILE 80 Ca 0.23 -1.17 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1ngk s ILE 80 Cb -0.15 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.45 1ngk s ILE 80 CO 0.03 -0.54 0.37 -1.54 0.00 0.00 0.00 174.94 173.27 1ngk n SER 81 N 5.10 1.27 0.08 3.58 3.41 -1.24 -0.57 113.62 125.24 1ngk n SER 81 Ca -0.12 -1.84 0.16 0.00 -0.26 0.00 0.00 58.87 56.82 1ngk n SER 81 Cb 0.44 -0.18 0.67 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.02 -0.36 1.04 4.07 -1.88 -1.22 115.31 116.98 1ngk h LEU 82 Ca -0.15 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 1ngk h LEU 82 Cb 0.65 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 1ngk h LEU 82 CO 0.22 0.01 0.08 0.40 -1.08 0.00 0.00 178.44 178.07 1ngk h ILE 83 N 0.02 1.23 -0.18 1.22 2.04 -1.95 -0.25 117.51 119.63 1ngk h ILE 83 Ca 0.18 -0.78 -0.19 0.00 1.00 0.00 0.00 64.86 65.06 1ngk h ILE 83 Cb 0.68 1.05 0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1ngk h ILE 83 CO -0.00 0.26 -0.65 -0.33 0.00 0.00 0.00 178.15 177.43 1ngk h GLU 84 N 0.43 0.76 -0.31 2.37 3.07 -1.73 -1.92 114.58 117.25 1ngk h GLU 84 Ca 0.11 -0.57 0.05 0.00 -0.50 0.00 0.00 59.36 58.45 1ngk h GLU 84 Cb 0.32 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 1ngk h GLU 84 CO 0.00 1.19 0.02 -0.09 -1.40 0.00 0.00 179.01 178.73 1ngk h ARG 85 N 0.49 0.11 -0.25 2.33 2.43 -1.21 0.21 114.38 118.49 1ngk h ARG 85 Ca -0.03 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1ngk h ARG 85 Cb 1.27 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1ngk h ARG 85 CO 0.14 0.07 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.94 1ngk h ASP 86 N 0.11 0.51 -0.20 -3.80 3.32 -1.00 -1.12 116.42 114.24 1ngk h ASP 86 Ca 0.15 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1ngk h ASP 86 Cb 0.19 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ngk h ASP 86 CO -0.23 0.78 -0.15 0.00 -1.72 0.00 0.00 179.24 177.92 1ngk h ALA 87 N 1.25 0.29 -0.16 3.45 0.00 -0.96 -0.74 119.26 122.39 1ngk h ALA 87 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ngk h ALA 87 Cb 0.73 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1ngk h ALA 87 CO 0.06 0.18 -0.09 2.35 0.00 0.00 0.00 179.25 181.74 1ngk h TRP 88 N 0.14 -0.22 -0.68 0.00 7.01 -0.81 -1.10 115.95 120.28 1ngk h TRP 88 Ca 0.04 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 1ngk h TRP 88 Cb 0.67 0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.83 1ngk h TRP 88 CO 0.07 -0.15 0.22 -0.07 -2.79 0.00 0.00 178.44 175.73 1ngk h LEU 89 N -0.09 0.96 0.03 0.65 3.38 -1.18 0.06 115.31 119.13 1ngk h LEU 89 Ca 0.09 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ngk h LEU 89 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1ngk h LEU 89 CO -0.21 0.89 -0.16 -0.09 0.09 0.00 0.00 178.44 178.96 1ngk h ARG 90 N 1.00 -0.27 -0.42 1.13 2.43 -0.73 0.23 114.38 117.75 1ngk h ARG 90 Ca 0.22 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1ngk h ARG 90 Cb 0.27 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1ngk h ARG 90 CO -0.01 -0.18 0.27 0.00 -1.51 0.00 0.00 179.97 178.54 1ngk h MET 92 N 0.54 0.86 -0.80 0.00 1.85 -0.81 -1.15 114.93 115.42 1ngk h MET 92 Ca 0.16 -0.27 -0.04 0.00 -0.61 0.00 0.00 59.70 58.94 1ngk h MET 92 Cb -0.04 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 31.88 1ngk h MET 92 CO -0.05 0.89 0.33 0.45 -0.40 0.00 0.00 176.91 178.13 1ngk h HIS 93 N 0.78 1.22 0.52 1.39 -0.00 -0.41 -0.02 115.15 118.63 1ngk h HIS 93 Ca 0.14 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1ngk h HIS 93 Cb 0.55 -0.37 0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1ngk h HIS 93 CO 0.03 0.91 -0.25 1.15 -0.00 0.00 0.00 177.93 179.78 1ngk h THR 94 N 1.17 0.49 -0.36 2.45 2.02 -1.14 -0.19 112.91 117.35 1ngk h THR 94 Ca 0.27 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.48 1ngk h THR 94 Cb 0.21 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 1ngk h THR 94 CO -0.02 0.01 -0.19 0.00 0.37 0.00 0.00 175.52 175.68 1ngk h ALA 95 N -0.24 0.06 -0.69 6.16 0.00 -1.02 -1.97 119.26 121.56 1ngk h ALA 95 Ca -0.07 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ngk h ALA 95 Cb 0.54 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1ngk h ALA 95 CO 0.12 -0.57 0.16 0.28 0.00 0.00 0.00 179.25 179.23 1ngk h VAL 96 N -0.14 1.26 0.00 0.00 2.07 -0.97 -2.19 116.25 116.28 1ngk h VAL 96 Ca 0.18 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1ngk h VAL 96 Cb 0.41 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ngk h VAL 96 CO -0.45 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.52 1ngk h ALA 97 N 1.11 1.00 0.00 1.67 0.00 -0.43 -1.98 119.26 120.63 1ngk h ALA 97 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ngk h ALA 97 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ngk h ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 1ngk n SER 98 N -2.92 0.40 -4.69 0.00 3.41 -0.80 -4.71 113.62 104.31 1ngk n SER 98 Ca -0.01 0.55 -0.40 0.00 -0.26 0.00 0.00 58.87 58.75 1ngk n SER 98 Cb 0.14 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 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 -3.09 5.05 0.76 -1.33 -1.09 -0.75 -5.06 121.20 115.70 1ngk s ILE 99 Ca 0.10 1.28 -0.12 0.00 -2.23 0.00 0.00 60.65 59.68 1ngk s ILE 99 Cb 0.14 -3.97 0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1ngk s ILE 99 CO 0.49 0.20 1.11 1.51 -1.23 0.00 0.00 174.94 177.02 1ngk s ASP 100 N 0.94 4.41 0.52 3.58 3.84 -1.26 -4.81 116.67 123.89 1ngk s ASP 100 Ca 0.32 1.95 0.31 0.00 -0.00 0.00 0.00 52.55 55.14 1ngk s ASP 100 Cb -0.16 -2.54 1.25 0.00 -1.38 0.00 0.00 42.92 40.09 1ngk s ASP 100 CO 0.13 -2.10 1.94 0.77 -0.00 0.00 0.00 175.17 175.92 1ngk h SER 101 N -0.90 0.00 -0.19 2.11 4.64 -1.96 -1.54 113.55 115.71 1ngk h SER 101 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1ngk h SER 101 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1ngk h SER 101 CO 0.51 0.05 0.03 -0.33 -0.87 0.00 0.00 176.83 176.21 1ngk h GLU 102 N 0.00 0.32 0.19 4.77 5.08 -1.97 -3.20 114.58 119.78 1ngk h GLU 102 Ca -0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ngk h GLU 102 Cb 0.57 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ngk h GLU 102 CO 0.01 0.49 -0.09 1.15 -1.00 0.00 0.00 179.01 179.56 1ngk h THR 103 N 0.11 0.89 -3.47 1.13 2.02 -1.87 -3.42 112.91 108.31 1ngk h THR 103 Ca 0.06 -0.86 -0.71 0.00 0.77 0.00 0.00 66.41 65.67 1ngk h THR 103 Cb 0.32 1.36 -0.31 0.00 -1.74 0.00 0.00 68.15 67.79 1ngk h THR 103 CO 0.00 0.18 -0.50 -0.22 0.37 0.00 0.00 175.52 175.35 1ngk s LEU 104 N -9.30 5.15 1.01 2.58 0.20 -0.60 -4.47 118.68 113.24 1ngk s LEU 104 Ca -0.14 -1.70 -0.17 0.00 0.69 0.00 0.00 54.13 52.80 1ngk s LEU 104 Cb 0.02 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 1ngk s LEU 104 CO 0.55 -0.54 -0.33 0.47 -0.29 0.00 0.00 176.35 176.22 1ngk n ASP 105 N 4.79 -3.43 -0.16 3.68 8.00 -1.21 -4.19 116.55 124.04 1ngk n ASP 105 Ca -0.08 0.14 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 1ngk n ASP 105 Cb 0.42 -0.92 -0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1ngk n ASP 105 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ngk h ASP 106 N -1.42 0.95 -0.42 -2.24 3.32 -1.99 -0.49 116.42 114.13 1ngk h ASP 106 Ca -0.45 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.08 1ngk h ASP 106 Cb 1.32 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1ngk h ASP 106 CO 0.30 1.10 -0.34 -0.33 -1.72 0.00 0.00 179.24 178.25 1ngk h GLU 107 N 0.78 0.96 -0.01 3.56 5.08 -1.99 -2.07 114.58 120.90 1ngk h GLU 107 Ca 0.12 -0.48 -0.20 0.00 -1.00 0.00 0.00 59.36 57.79 1ngk h GLU 107 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ngk h GLU 107 CO 0.05 1.14 -0.87 0.45 -1.00 0.00 0.00 179.01 178.79 1ngk h HIS 108 N 0.80 0.45 -0.06 4.33 3.86 -1.91 -2.61 115.15 120.02 1ngk h HIS 108 Ca 0.08 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1ngk h HIS 108 Cb 0.93 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1ngk h HIS 108 CO 0.06 1.04 0.03 -0.09 0.86 0.00 0.00 177.93 179.83 1ngk h ARG 109 N 0.18 0.08 -0.14 2.45 2.43 -1.05 -0.98 114.38 117.36 1ngk h ARG 109 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1ngk h ARG 109 Cb 1.49 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1ngk h ARG 109 CO 0.14 0.14 0.09 -0.09 -1.51 0.00 0.00 179.97 178.74 1ngk h ARG 110 N -0.00 0.19 -0.50 0.20 2.43 -1.40 0.52 114.38 115.82 1ngk h ARG 110 Ca 0.02 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1ngk h ARG 110 Cb 0.08 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 1ngk h ARG 110 CO -0.00 0.14 0.19 1.49 -1.51 0.00 0.00 179.97 180.28 1ngk h GLU 111 N 0.18 0.36 0.23 0.20 4.81 -1.38 0.27 114.58 119.25 1ngk h GLU 111 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1ngk h GLU 111 Cb -0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1ngk h GLU 111 CO -0.01 0.24 -0.11 1.25 -0.73 0.00 0.00 179.01 179.64 1ngk h LEU 112 N 0.37 -0.26 -1.20 1.64 5.85 -0.88 -2.21 115.31 118.62 1ngk h LEU 112 Ca 0.24 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1ngk h LEU 112 Cb 0.25 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1ngk h LEU 112 CO -0.24 -0.03 0.54 -0.07 -0.34 0.00 0.00 178.44 178.31 1ngk h LEU 113 N -0.50 0.93 -0.90 2.25 4.07 -0.66 -0.72 115.31 119.78 1ngk h LEU 113 Ca -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 1ngk h LEU 113 Cb 0.37 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 1ngk h LEU 113 CO 0.05 0.67 0.42 0.44 -1.08 0.00 0.00 178.44 178.95 1ngk h ASP 114 N 1.10 1.09 0.18 -0.43 5.19 -0.38 -0.54 116.42 122.64 1ngk h ASP 114 Ca 0.30 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1ngk h ASP 114 Cb -0.12 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.12 1ngk h ASP 114 CO -0.07 0.91 -0.09 0.22 -3.12 0.00 0.00 179.24 177.09 1ngk h TYR 115 N 1.20 -0.23 -0.61 4.55 5.03 -0.68 -2.40 116.97 123.83 1ngk h TYR 115 Ca 0.29 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.69 1ngk h TYR 115 Cb 0.09 0.07 -0.07 0.00 1.55 0.00 0.00 36.73 38.38 1ngk h TYR 115 CO 0.01 0.13 0.25 -0.07 -1.32 0.00 0.00 178.16 177.16 1ngk h LEU 116 N -0.63 0.27 -0.45 2.82 3.38 -1.03 0.31 115.31 119.97 1ngk h LEU 116 Ca -0.02 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ngk h LEU 116 Cb 0.46 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1ngk h LEU 116 CO 0.04 0.16 0.28 -0.33 0.09 0.00 0.00 178.44 178.68 1ngk h GLU 117 N 0.44 0.54 -0.21 1.13 4.39 -1.14 0.16 114.58 119.89 1ngk h GLU 117 Ca 0.30 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.95 1ngk h GLU 117 Cb 0.36 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1ngk h GLU 117 CO -0.29 0.36 0.03 1.98 -1.16 0.00 0.00 179.01 179.93 1ngk h MET 118 N 0.56 0.35 -0.29 2.33 4.05 -0.81 -2.94 114.93 118.18 1ngk h MET 118 Ca 0.18 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1ngk h MET 118 Cb -0.00 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1ngk h MET 118 CO -0.07 0.50 0.10 0.00 0.23 0.00 0.00 176.91 177.67 1ngk h ALA 119 N 0.84 0.37 -0.58 0.39 0.00 -0.16 -1.64 119.26 118.48 1ngk h ALA 119 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ngk h ALA 119 Cb 0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1ngk h ALA 119 CO 0.00 -0.02 0.33 0.00 0.00 0.00 0.00 179.25 179.57 1ngk h ALA 120 N 0.94 0.75 -0.62 0.00 0.00 -1.02 -2.08 119.26 117.23 1ngk h ALA 120 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ngk h ALA 120 Cb 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ngk h ALA 120 CO -0.01 0.03 0.22 1.25 0.00 0.00 0.00 179.25 180.74 1ngk h HIS 121 N 0.64 0.94 0.00 0.00 6.17 -1.31 -2.62 115.15 118.97 1ngk h HIS 121 Ca 0.25 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1ngk h HIS 121 Cb 0.09 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 29.74 1ngk h HIS 121 CO -0.07 0.74 0.00 0.66 0.71 0.00 0.00 177.93 179.96 1ngk h SER 122 N 0.90 0.00 -0.02 3.26 4.64 -0.59 -2.77 113.55 118.97 1ngk h SER 122 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ngk h SER 122 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ngk h SER 122 CO -0.01 0.00 -0.15 0.18 -0.87 0.00 0.00 176.83 175.98 1ngk n LEU 123 N -2.41 2.29 -4.71 5.97 4.77 -0.99 -4.92 117.00 117.00 1ngk n LEU 123 Ca -0.00 -0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 54.65 1ngk n LEU 123 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1ngk n LEU 123 CO 0.15 0.41 1.38 -0.69 -1.33 0.00 0.00 177.39 177.31 1ngk s VAL 124 N -1.80 2.38 0.00 4.08 1.01 -1.05 -4.77 120.40 120.26 1ngk s VAL 124 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1ngk s VAL 124 Cb 0.16 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1ngk s VAL 124 CO 0.33 0.01 0.50 -0.46 0.00 0.00 0.00 175.10 175.47 1ngk n ASN 125 N 4.72 0.19 -3.72 3.32 0.23 0.27 -5.02 115.26 115.24 1ngk n ASN 125 Ca 0.16 -1.09 -0.14 0.00 -0.53 0.00 0.00 54.58 52.99 1ngk n ASN 125 Cb 0.37 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.98 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 -0.09 -0.32 0.26 0.53 0.15 -0.75 -4.82 113.70 108.67 1ngk s SER 126 Ca 0.00 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.28 1ngk s SER 126 Cb 0.00 0.49 0.88 0.00 -1.71 0.00 0.00 66.02 65.68 1ngk s SER 126 CO 0.00 -0.38 1.75 1.55 1.20 0.00 0.00 173.24 177.37 1ngk h PRO 127 N 4.24 0.00 0.00 5.44 0.13 -1.98 -3.30 132.00 136.53 1ngk h PRO 127 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ngk h PRO 127 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ngk h PRO 127 CO 0.35 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.09