#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 0.51 -2.26 -0.52 3.00 -1.26 -4.61 118.16 113.01 1ngk n LYS 3 Ca 0.00 0.17 -0.37 0.00 -0.00 0.00 0.00 58.31 58.11 1ngk n LYS 3 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 35.03 33.65 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 -6.59 6.23 0.17 3.14 1.04 -1.26 -4.84 113.70 111.59 1ngk s SER 4 Ca -0.30 2.31 -0.23 0.00 0.48 0.00 0.00 55.95 58.20 1ngk s SER 4 Cb 0.10 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.68 1ngk s SER 4 CO 0.44 -0.87 1.59 0.15 0.98 0.00 0.00 173.24 175.53 1ngk h PHE 5 N 2.15 -1.01 -0.55 5.02 3.57 -1.92 0.37 116.94 124.56 1ngk h PHE 5 Ca -0.49 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.17 1ngk h PHE 5 Cb 1.24 0.51 -0.11 0.00 2.79 0.00 0.00 35.95 40.39 1ngk h PHE 5 CO 0.54 -0.40 -0.33 -0.92 -2.23 0.00 0.00 178.31 174.97 1ngk h TYR 6 N -0.24 -0.91 -0.38 0.41 3.20 -1.41 -0.60 116.97 117.03 1ngk h TYR 6 Ca 0.18 0.07 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 1ngk h TYR 6 Cb 0.55 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1ngk h TYR 6 CO -0.60 -0.38 -0.10 -0.44 -1.64 0.00 0.00 178.16 175.01 1ngk h ASP 7 N -0.18 0.75 -0.93 -2.11 3.32 -1.67 0.43 116.42 116.03 1ngk h ASP 7 Ca 0.22 -0.36 0.16 0.00 0.02 0.00 0.00 57.03 57.06 1ngk h ASP 7 Cb 0.55 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 1ngk h ASP 7 CO -0.65 0.94 0.59 0.00 -1.72 0.00 0.00 179.24 178.40 1ngk h ALA 8 N 0.83 1.83 -0.30 3.45 0.00 0.64 -1.77 119.26 123.94 1ngk h ALA 8 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ngk h ALA 8 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ngk h ALA 8 CO 0.04 -0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.52 1ngk n VAL 9 N -4.59 0.39 0.00 0.00 0.24 -0.32 -4.89 118.33 109.15 1ngk n VAL 9 Ca 0.19 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1ngk n VAL 9 Cb 0.51 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.29 1.08 7.00 7.63 0.00 -0.66 -4.57 105.19 116.96 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 -1.44 2.88 0.28 -0.02 0.00 0.15 -3.67 105.19 103.37 1ngk n GLY 11 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.95 0.92 -0.72 4.61 0.00 -1.96 -2.07 119.26 119.08 1ngk h ALA 12 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ngk h ALA 12 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 1ngk h ALA 12 CO 0.00 0.24 0.40 -0.22 0.00 0.00 0.00 179.25 179.67 1ngk h LYS 13 N 0.89 0.69 -0.02 0.00 3.64 -1.98 0.34 116.57 120.13 1ngk h LYS 13 Ca 0.28 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1ngk h LYS 13 Cb -0.01 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1ngk h LYS 13 CO -0.10 0.46 -0.01 1.15 -2.27 0.00 0.00 179.45 178.68 1ngk h THR 14 N 0.71 1.32 -0.23 1.00 2.02 -1.47 -2.26 112.91 114.01 1ngk h THR 14 Ca 0.34 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 1ngk h THR 14 Cb 0.26 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1ngk h THR 14 CO -0.21 0.26 -0.09 -0.26 0.37 0.00 0.00 175.52 175.58 1ngk h PHE 15 N -0.35 0.38 -0.32 3.16 0.04 -1.20 -0.68 116.94 117.96 1ngk h PHE 15 Ca 0.01 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1ngk h PHE 15 Cb 0.42 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 1ngk h PHE 15 CO 0.06 0.45 -0.27 0.22 -0.60 0.00 0.00 178.31 178.18 1ngk h ASP 16 N 0.34 0.66 -0.23 2.17 3.58 -0.88 -2.01 116.42 120.05 1ngk h ASP 16 Ca 0.07 -0.24 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 1ngk h ASP 16 Cb 0.38 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1ngk h ASP 16 CO 0.02 0.90 -0.15 0.00 -2.88 0.00 0.00 179.24 177.13 1ngk h ALA 17 N 1.15 0.33 0.51 -0.78 0.00 -0.75 -0.10 119.26 119.61 1ngk h ALA 17 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ngk h ALA 17 Cb 0.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ngk h ALA 17 CO 0.06 0.22 -0.28 0.82 0.00 0.00 0.00 179.25 180.06 1ngk h ILE 18 N 0.21 0.42 -0.39 0.00 2.04 -1.09 -1.47 117.51 117.23 1ngk h ILE 18 Ca 0.05 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.76 1ngk h ILE 18 Cb 0.67 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1ngk h ILE 18 CO 0.04 0.00 -0.35 0.58 0.00 0.00 0.00 178.15 178.43 1ngk h VAL 19 N -0.74 1.27 0.05 1.67 2.07 -1.40 0.14 116.25 119.31 1ngk h VAL 19 Ca -0.06 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 65.96 1ngk h VAL 19 Cb 0.59 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1ngk h VAL 19 CO 0.09 0.51 -0.17 -1.28 0.02 0.00 0.00 177.57 176.73 1ngk h SER 20 N 0.75 -0.49 -0.08 0.57 0.87 -1.05 -0.02 113.55 114.10 1ngk h SER 20 Ca 0.07 0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1ngk h SER 20 Cb 0.93 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1ngk h SER 20 CO 0.09 -0.24 -0.23 0.03 -0.53 0.00 0.00 176.83 175.94 1ngk h ARG 21 N -0.31 0.50 0.10 2.24 -0.00 -1.06 -1.89 114.38 113.96 1ngk h ARG 21 Ca 0.04 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.98 59.33 1ngk h ARG 21 Cb 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 29.97 30.29 1ngk h ARG 21 CO -0.13 0.70 -0.05 0.35 0.00 0.00 0.00 179.97 180.83 1ngk h PHE 22 N 0.44 -0.14 -0.31 3.04 3.57 -0.51 -1.62 116.94 121.41 1ngk h PHE 22 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1ngk h PHE 22 Cb 0.65 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1ngk h PHE 22 CO 0.02 -0.09 0.05 1.88 -2.23 0.00 0.00 178.31 177.94 1ngk h TYR 23 N -0.15 0.47 -0.43 0.41 0.05 -0.73 -0.29 116.97 116.30 1ngk h TYR 23 Ca -0.01 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 1ngk h TYR 23 Cb 0.12 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1ngk h TYR 23 CO -0.08 0.43 0.16 0.00 -1.05 0.00 0.00 178.16 177.62 1ngk h ALA 24 N 1.61 1.48 -0.39 3.88 0.00 -1.13 -2.33 119.26 122.37 1ngk h ALA 24 Ca 0.11 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1ngk h ALA 24 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ngk h ALA 24 CO 0.00 0.40 -0.25 1.96 0.00 0.00 0.00 179.25 181.36 1ngk h GLN 25 N 0.61 0.85 -0.44 0.00 1.08 -0.15 -3.18 115.11 113.88 1ngk h GLN 25 Ca 0.15 -0.40 0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1ngk h GLN 25 Cb 0.15 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.50 1ngk h GLN 25 CO -0.01 1.04 0.05 0.28 -0.95 0.00 0.00 178.83 179.23 1ngk h VAL 26 N 0.66 0.71 -0.46 -0.54 2.07 -0.70 -1.39 116.25 116.61 1ngk h VAL 26 Ca 0.08 -0.06 0.11 0.00 0.82 0.00 0.00 66.70 67.65 1ngk h VAL 26 Cb 0.82 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ngk h VAL 26 CO 0.07 0.03 0.32 0.00 0.02 0.00 0.00 177.57 178.01 1ngk h ALA 27 N 1.37 2.27 -0.08 1.67 0.00 -1.41 0.02 119.26 123.10 1ngk h ALA 27 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ngk h ALA 27 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ngk h ALA 27 CO -0.32 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 178.92 1ngk n GLU 28 N -4.43 1.89 -3.44 0.00 1.02 -0.58 -4.86 120.64 110.23 1ngk n GLU 28 Ca 0.08 -1.30 -0.40 0.00 -0.02 0.00 0.00 57.16 55.52 1ngk n GLU 28 Cb 0.45 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 1ngk n GLU 28 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ngk s ASP 29 N -1.88 6.17 0.25 1.62 -1.08 -0.01 -4.97 116.67 116.77 1ngk s ASP 29 Ca 0.35 -0.07 -0.04 0.00 -0.52 0.00 0.00 52.55 52.27 1ngk s ASP 29 Cb 0.20 -2.18 0.40 0.00 -1.46 0.00 0.00 42.92 39.88 1ngk s ASP 29 CO 0.31 -0.25 1.82 -0.33 0.52 0.00 0.00 175.17 177.25 1ngk h GLU 30 N 8.37 0.83 0.41 4.34 3.07 -1.90 -1.23 114.58 128.47 1ngk h GLU 30 Ca -0.31 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.48 1ngk h GLU 30 Cb 1.16 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1ngk h GLU 30 CO 0.65 0.55 -0.20 0.28 -1.40 0.00 0.00 179.01 178.89 1ngk h VAL 31 N 0.85 0.43 0.02 3.13 2.07 -1.93 -3.39 116.25 117.44 1ngk h VAL 31 Ca 0.41 -0.57 -0.21 0.00 0.82 0.00 0.00 66.70 67.14 1ngk h VAL 31 Cb 0.34 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1ngk h VAL 31 CO -0.23 0.08 -0.98 -0.07 0.02 0.00 0.00 177.57 176.38 1ngk h LEU 32 N -0.95 0.13 -1.61 2.57 4.07 -1.79 -3.25 115.31 114.48 1ngk h LEU 32 Ca -0.06 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1ngk h LEU 32 Cb 0.56 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1ngk h LEU 32 CO 0.09 1.03 0.00 0.08 -1.08 0.00 0.00 178.44 178.57 1ngk h ARG 33 N 0.04 0.00 -0.01 1.13 0.11 -1.26 0.21 114.38 114.59 1ngk h ARG 33 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1ngk h ARG 33 Cb 1.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.77 1ngk h ARG 33 CO 0.14 0.00 -0.31 0.54 0.10 0.00 0.00 179.97 180.44 1ngk n ARG 34 N -2.54 0.77 -0.13 0.08 5.12 -1.23 -4.33 116.66 114.42 1ngk n ARG 34 Ca -0.01 -0.47 -0.26 0.00 -1.93 0.00 0.00 57.85 55.18 1ngk n ARG 34 Cb 0.12 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 29.82 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 -0.70 1.53 -2.27 1.55 0.31 0.04 -4.87 118.33 113.92 1ngk n VAL 35 Ca 0.11 -0.41 -0.43 0.00 -0.01 0.00 0.00 64.34 63.61 1ngk n VAL 35 Cb 0.36 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 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 -2.50 2.58 -0.49 3.52 1.51 -1.09 -4.95 117.35 115.93 1ngk s TYR 36 Ca -0.36 0.73 -0.46 0.00 -1.01 0.00 0.00 57.07 55.98 1ngk s TYR 36 Cb 0.12 -3.65 -0.19 0.00 -0.11 0.00 0.00 41.96 38.13 1ngk s TYR 36 CO 0.54 -2.44 1.72 -2.30 -1.11 0.00 0.00 175.55 171.97 1ngk n PRO 37 N 6.64 0.07 0.10 -1.71 -0.02 -1.26 -4.84 135.00 133.98 1ngk n PRO 37 Ca 0.15 0.02 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1ngk n PRO 37 Cb 0.44 -1.54 0.44 0.00 -0.02 0.00 0.00 33.50 32.82 1ngk n PRO 37 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ngk n GLU 38 N 4.83 0.14 -0.46 -0.52 -0.00 -1.26 -2.78 120.64 120.59 1ngk n GLU 38 Ca 0.36 0.41 0.11 0.00 -0.00 0.00 0.00 57.16 58.04 1ngk n GLU 38 Cb -0.04 -1.78 0.34 0.00 -0.00 0.00 0.00 31.44 29.95 1ngk n GLU 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1ngk n ASP 39 N -2.05 4.25 -1.84 -1.84 3.85 -1.26 -4.48 116.55 113.17 1ngk n ASP 39 Ca 0.02 -2.16 -0.01 0.00 -0.71 0.00 0.00 54.79 51.92 1ngk n ASP 39 Cb 0.19 -0.52 0.02 0.00 -1.35 0.00 0.00 41.12 39.46 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 1.46 -0.03 0.06 -1.12 2.03 -1.12 -4.95 116.55 112.87 1ngk n ASP 40 Ca 0.25 -2.05 -0.16 0.00 0.52 0.00 0.00 54.79 53.35 1ngk n ASP 40 Cb 0.72 0.06 -0.06 0.00 -0.72 0.00 0.00 41.12 41.11 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 0.99 0.66 -0.09 -2.67 3.38 -1.79 -1.93 115.31 113.86 1ngk h LEU 41 Ca -0.37 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.09 1ngk h LEU 41 Cb 1.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1ngk h LEU 41 CO -0.07 1.33 0.00 0.00 0.09 0.00 0.00 178.44 179.79 1ngk h ALA 42 N 0.63 0.08 -0.85 1.53 0.00 -1.94 -1.19 119.26 117.52 1ngk h ALA 42 Ca -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ngk h ALA 42 Cb 1.62 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1ngk h ALA 42 CO 0.18 -0.46 0.46 0.78 0.00 0.00 0.00 179.25 180.21 1ngk h GLY 43 N 0.03 1.26 0.85 0.00 0.00 -1.95 -1.45 103.07 101.81 1ngk h GLY 43 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1ngk h GLY 43 CO -0.07 0.55 0.03 0.00 0.00 0.00 0.00 176.54 177.04 1ngk h ALA 44 N 1.25 0.30 -0.52 3.60 0.00 -1.18 -1.13 119.26 121.58 1ngk h ALA 44 Ca 0.30 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1ngk h ALA 44 Cb 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1ngk h ALA 44 CO -0.05 -0.01 0.23 1.49 0.00 0.00 0.00 179.25 180.90 1ngk h GLU 45 N 0.17 0.43 -0.70 0.00 4.81 -1.04 -2.12 114.58 116.12 1ngk h GLU 45 Ca 0.07 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ngk h GLU 45 Cb 0.34 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1ngk h GLU 45 CO 0.01 0.28 0.43 1.49 -0.73 0.00 0.00 179.01 180.48 1ngk h GLU 46 N 0.44 0.95 -0.42 1.92 4.81 -0.98 -1.32 114.58 119.97 1ngk h GLU 46 Ca 0.24 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1ngk h GLU 46 Cb 0.22 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1ngk h GLU 46 CO -0.21 0.67 0.04 0.00 -0.73 0.00 0.00 179.01 178.78 1ngk h ARG 47 N 0.96 0.72 -0.35 1.92 3.08 -0.91 -0.48 114.38 119.32 1ngk h ARG 47 Ca 0.25 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1ngk h ARG 47 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1ngk h ARG 47 CO -0.05 0.77 0.15 1.25 -1.07 0.00 0.00 179.97 181.03 1ngk h LEU 48 N 0.56 0.47 -0.11 3.04 5.85 -1.20 0.07 115.31 123.99 1ngk h LEU 48 Ca 0.12 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1ngk h LEU 48 Cb 0.43 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1ngk h LEU 48 CO 0.01 0.49 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.34 1ngk h ARG 49 N 0.43 -0.22 -0.65 1.25 2.43 -1.10 0.14 114.38 116.65 1ngk h ARG 49 Ca 0.12 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1ngk h ARG 49 Cb 0.15 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1ngk h ARG 49 CO -0.01 -0.15 0.39 0.52 -1.51 0.00 0.00 179.97 179.21 1ngk h MET 50 N -0.23 0.74 0.01 0.20 2.86 -0.90 0.11 114.93 117.72 1ngk h MET 50 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1ngk h MET 50 Cb 0.36 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1ngk h MET 50 CO -0.24 0.49 -0.03 0.35 1.06 0.00 0.00 176.91 178.54 1ngk h PHE 51 N 0.76 -0.06 -0.61 -0.22 3.57 -0.56 -1.76 116.94 118.05 1ngk h PHE 51 Ca 0.27 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 1ngk h PHE 51 Cb 0.05 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1ngk h PHE 51 CO -0.06 -0.04 0.02 -0.07 -2.23 0.00 0.00 178.31 175.94 1ngk h LEU 52 N -0.05 1.04 -0.51 0.59 3.38 -0.49 0.15 115.31 119.42 1ngk h LEU 52 Ca 0.01 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.76 1ngk h LEU 52 Cb 0.06 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1ngk h LEU 52 CO -0.02 1.08 0.18 -0.33 0.09 0.00 0.00 178.44 179.43 1ngk h GLU 53 N 0.96 0.35 -0.19 1.13 5.08 -0.92 -2.21 114.58 118.78 1ngk h GLU 53 Ca 0.18 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1ngk h GLU 53 Cb 0.53 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ngk h GLU 53 CO 0.03 0.23 -0.02 0.37 -1.00 0.00 0.00 179.01 178.62 1ngk h GLN 54 N 0.36 0.35 -0.94 2.33 4.15 -0.72 0.21 115.11 120.86 1ngk h GLN 54 Ca 0.25 -0.12 0.08 0.00 0.77 0.00 0.00 58.65 59.63 1ngk h GLN 54 Cb 0.27 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.87 1ngk h GLN 54 CO -0.26 0.58 0.61 -0.92 -1.93 0.00 0.00 178.83 176.91 1ngk h TYR 55 N 0.10 1.08 -0.49 3.99 5.03 -0.38 -2.43 116.97 123.86 1ngk h TYR 55 Ca 0.05 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.28 1ngk h TYR 55 Cb 0.43 -0.35 -0.07 0.00 1.55 0.00 0.00 36.73 38.29 1ngk h TYR 55 CO 0.04 0.53 0.14 0.91 -1.32 0.00 0.00 178.16 178.46 1ngk n TRP 56 N -4.52 1.66 -0.42 -3.82 7.02 -0.86 -4.86 117.44 111.65 1ngk n TRP 56 Ca 0.15 -0.79 0.00 0.00 -1.02 0.00 0.00 57.50 55.84 1ngk n TRP 56 Cb 0.24 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.63 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 0.11 0.78 0.00 6.99 0.00 -0.91 -1.07 105.19 111.08 1ngk n GLY 57 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.42 1.23 3.64 -0.02 0.00 0.74 -4.78 105.19 103.58 1ngk n GLY 58 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 1.56 -1.14 1.61 -0.02 -1.26 -4.61 135.00 131.14 1ngk n PRO 59 Ca 0.00 0.56 -0.16 0.00 -2.02 0.00 0.00 63.50 61.87 1ngk n PRO 59 Cb 0.00 -2.12 0.23 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.24 2.86 -0.08 -0.52 1.74 -1.26 -3.21 116.66 116.43 1ngk n ARG 60 Ca 0.08 -3.05 -0.00 0.00 -0.77 0.00 0.00 57.85 54.11 1ngk n ARG 60 Cb 0.38 -2.19 0.28 0.00 -1.02 0.00 0.00 32.46 29.91 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 1.69 1.19 -0.25 0.55 2.02 -1.90 -3.08 112.91 113.13 1ngk h THR 61 Ca 0.48 -0.59 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1ngk h THR 61 Cb 2.64 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 69.59 1ngk h THR 61 CO 0.95 0.23 -0.26 0.22 0.37 0.00 0.00 175.52 177.03 1ngk h TYR 62 N 0.70 -0.69 0.00 3.16 3.20 -1.80 -1.11 116.97 120.44 1ngk h TYR 62 Ca 0.17 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1ngk h TYR 62 Cb 0.16 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1ngk h TYR 62 CO 0.01 -0.33 -0.54 0.77 -1.64 0.00 0.00 178.16 176.43 1ngk h SER 63 N -0.26 0.00 -0.83 -2.11 0.02 -1.72 0.23 113.55 108.87 1ngk h SER 63 Ca 0.14 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1ngk h SER 63 Cb 0.48 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1ngk h SER 63 CO -0.40 0.54 0.55 -0.33 -1.14 0.00 0.00 176.83 176.04 1ngk h GLU 64 N 0.00 1.10 0.07 3.45 5.08 -1.38 0.42 114.58 123.32 1ngk h GLU 64 Ca -0.01 -0.07 -0.30 0.00 -1.00 0.00 0.00 59.36 57.98 1ngk h GLU 64 Cb 1.01 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1ngk h GLU 64 CO 0.07 0.74 -1.60 1.96 -1.00 0.00 0.00 179.01 179.17 1ngk h GLN 65 N 1.13 0.15 0.00 2.33 1.08 -0.78 -3.40 115.11 115.62 1ngk h GLN 65 Ca 0.30 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1ngk h GLN 65 Cb -0.12 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1ngk h GLN 65 CO -0.06 0.93 0.00 0.54 -0.95 0.00 0.00 178.83 179.28 1ngk n ARG 66 N -3.32 6.25 -0.00 1.46 5.12 0.77 -5.10 116.66 121.84 1ngk n ARG 66 Ca -0.17 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1ngk n ARG 66 Cb 1.04 -0.53 -0.00 0.00 -1.16 0.00 0.00 32.46 31.81 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 0.90 -2.05 3.60 -0.13 0.00 0.14 -4.85 105.19 102.80 1ngk n GLY 67 Ca 0.00 -1.41 -0.45 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.13 1.40 -0.23 1.61 8.25 -1.26 -4.30 115.22 120.56 1ngk n HIS 68 Ca 0.00 0.67 -0.05 0.00 -0.26 0.00 0.00 57.72 58.08 1ngk n HIS 68 Cb 0.00 -2.28 0.01 0.00 1.12 0.00 0.00 29.99 28.84 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 2.45 -0.13 -6.70 -0.41 0.11 -1.97 -3.45 132.00 121.90 1ngk h PRO 69 Ca -0.41 0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.17 1ngk h PRO 69 Cb 1.33 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.40 1ngk h PRO 69 CO 0.64 -0.09 -0.94 0.54 -0.21 0.00 0.00 178.00 177.94 1ngk n ARG 70 N -5.44 -1.76 -0.31 1.05 1.74 -1.26 -4.75 116.66 105.94 1ngk n ARG 70 Ca 0.05 0.26 -0.01 0.00 -0.77 0.00 0.00 57.85 57.38 1ngk n ARG 70 Cb 0.36 -3.83 0.17 0.00 -1.02 0.00 0.00 32.46 28.14 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 -1.98 1.03 -0.45 0.55 3.38 -1.99 -1.37 115.31 114.47 1ngk h LEU 71 Ca -0.66 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.34 1ngk h LEU 71 Cb 1.39 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1ngk h LEU 71 CO 0.61 0.75 0.16 0.03 0.09 0.00 0.00 178.44 180.08 1ngk h ARG 72 N 1.21 0.32 -0.21 1.13 3.08 -1.93 0.58 114.38 118.56 1ngk h ARG 72 Ca 0.33 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.24 1ngk h ARG 72 Cb -0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1ngk h ARG 72 CO -0.07 0.21 -0.35 0.52 -1.07 0.00 0.00 179.97 179.21 1ngk h MET 73 N 0.33 0.44 -0.10 0.04 2.86 -1.81 -1.48 114.93 115.21 1ngk h MET 73 Ca 0.21 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1ngk h MET 73 Cb 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1ngk h MET 73 CO -0.22 0.74 -0.29 0.00 1.06 0.00 0.00 176.91 178.20 1ngk h ARG 74 N 0.38 0.18 -0.02 1.72 -0.00 -0.37 -2.89 114.38 113.38 1ngk h ARG 74 Ca 0.04 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1ngk h ARG 74 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.75 1ngk h ARG 74 CO 0.06 0.46 -0.22 0.72 0.00 0.00 0.00 179.97 180.99 1ngk n HIS 75 N -4.14 0.00 -0.24 3.04 8.25 0.11 -4.37 115.22 117.87 1ngk n HIS 75 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1ngk n HIS 75 Cb 0.38 -0.03 0.31 0.00 1.12 0.00 0.00 29.99 31.76 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 4.10 1.64 0.00 -1.41 0.00 -1.05 -0.80 119.26 121.74 1ngk h ALA 76 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ngk h ALA 76 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ngk h ALA 76 CO 0.00 0.22 0.00 -2.30 0.00 0.00 0.00 179.25 177.17 1ngk n PRO 77 N -4.49 0.01 -5.15 0.00 -0.02 -1.26 -4.70 135.00 119.39 1ngk n PRO 77 Ca 0.13 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 1ngk n PRO 77 Cb 0.24 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.06 1ngk n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ngk s PHE 78 N -2.89 2.19 -0.73 6.00 0.40 -0.31 -5.08 117.98 117.57 1ngk s PHE 78 Ca 0.01 -0.59 -0.27 0.00 -0.60 0.00 0.00 56.93 55.48 1ngk s PHE 78 Cb 0.01 -1.44 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1ngk s PHE 78 CO 0.03 -0.16 1.27 1.03 0.70 0.00 0.00 175.22 178.10 1ngk s ARG 79 N -0.22 3.21 -0.42 0.44 0.52 -1.26 -4.87 118.95 116.35 1ngk s ARG 79 Ca -0.00 -0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 54.88 1ngk s ARG 79 Cb -0.12 -4.17 0.05 0.00 0.52 0.00 0.00 34.95 31.24 1ngk s ARG 79 CO 0.02 -2.12 0.29 0.42 0.02 0.00 0.00 175.30 173.93 1ngk s ILE 80 N 5.68 4.75 0.48 1.52 1.01 -1.26 -4.91 121.20 128.46 1ngk s ILE 80 Ca 0.36 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1ngk s ILE 80 Cb -0.08 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.68 1ngk s ILE 80 CO 0.16 -0.42 0.54 -1.54 0.00 0.00 0.00 174.94 173.67 1ngk n SER 81 N 5.05 2.07 -0.12 3.58 3.41 -1.26 -0.37 113.62 125.99 1ngk n SER 81 Ca -0.11 -2.42 0.22 0.00 -0.26 0.00 0.00 58.87 56.30 1ngk n SER 81 Cb 0.45 -0.22 0.65 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.12 -0.33 1.04 4.07 -1.89 -0.66 115.31 117.65 1ngk h LEU 82 Ca -0.26 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.68 1ngk h LEU 82 Cb 1.06 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 1ngk h LEU 82 CO 0.38 0.05 0.08 0.40 -1.08 0.00 0.00 178.44 178.28 1ngk h ILE 83 N 0.12 1.22 -0.33 1.22 2.04 -1.96 0.15 117.51 119.97 1ngk h ILE 83 Ca 0.36 -0.74 -0.17 0.00 1.00 0.00 0.00 64.86 65.31 1ngk h ILE 83 Cb 1.25 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1ngk h ILE 83 CO -0.05 0.25 -0.47 -0.33 0.00 0.00 0.00 178.15 177.55 1ngk h GLU 84 N 0.38 0.91 -0.18 2.37 3.07 -1.72 -1.99 114.58 117.42 1ngk h GLU 84 Ca 0.10 -0.53 0.04 0.00 -0.50 0.00 0.00 59.36 58.47 1ngk h GLU 84 Cb 0.30 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1ngk h GLU 84 CO 0.00 1.18 -0.04 -0.09 -1.40 0.00 0.00 179.01 178.66 1ngk h ARG 85 N 0.71 0.01 -0.70 2.33 2.43 -1.00 -0.18 114.38 117.98 1ngk h ARG 85 Ca 0.04 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1ngk h ARG 85 Cb 1.08 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1ngk h ARG 85 CO 0.11 0.01 0.18 -0.44 -1.51 0.00 0.00 179.97 178.31 1ngk h ASP 86 N 0.01 1.05 -0.50 -3.80 3.32 -0.68 -1.58 116.42 114.24 1ngk h ASP 86 Ca 0.09 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1ngk h ASP 86 Cb 0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1ngk h ASP 86 CO -0.18 1.01 -0.12 0.00 -1.72 0.00 0.00 179.24 178.23 1ngk h ALA 87 N 1.08 0.79 0.04 3.45 0.00 -1.21 -0.06 119.26 123.35 1ngk h ALA 87 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ngk h ALA 87 Cb 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ngk h ALA 87 CO 0.00 0.67 -0.04 2.35 0.00 0.00 0.00 179.25 182.23 1ngk h TRP 88 N 0.88 -0.10 -0.56 0.00 7.01 -0.84 -1.77 115.95 120.57 1ngk h TRP 88 Ca 0.13 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 1ngk h TRP 88 Cb 0.68 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.76 1ngk h TRP 88 CO 0.04 -0.07 0.13 -0.07 -2.79 0.00 0.00 178.44 175.69 1ngk h LEU 89 N -0.09 0.81 -0.34 0.65 3.38 -1.23 -0.27 115.31 118.21 1ngk h LEU 89 Ca 0.00 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1ngk h LEU 89 Cb 0.09 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ngk h LEU 89 CO -0.01 0.79 0.17 -0.09 0.09 0.00 0.00 178.44 179.39 1ngk h ARG 90 N 0.83 0.34 -0.44 1.13 2.43 -0.83 0.15 114.38 117.99 1ngk h ARG 90 Ca 0.18 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1ngk h ARG 90 Cb 0.30 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1ngk h ARG 90 CO -0.00 0.22 -0.13 0.00 -1.51 0.00 0.00 179.97 178.55 1ngk h MET 92 N 0.74 0.69 -0.87 0.00 1.85 -0.84 -1.46 114.93 115.03 1ngk h MET 92 Ca 0.12 -0.53 -0.03 0.00 -0.61 0.00 0.00 59.70 58.65 1ngk h MET 92 Cb 0.63 0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.72 1ngk h MET 92 CO 0.04 1.15 0.44 0.45 -0.40 0.00 0.00 176.91 178.59 1ngk h HIS 93 N 0.49 1.23 -0.04 1.39 -0.00 -0.64 0.84 115.15 118.42 1ngk h HIS 93 Ca -0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1ngk h HIS 93 Cb 1.32 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 1ngk h HIS 93 CO 0.07 0.87 0.02 1.15 -0.00 0.00 0.00 177.93 180.04 1ngk h THR 94 N 1.23 1.00 0.02 2.45 2.02 -1.36 0.91 112.91 119.17 1ngk h THR 94 Ca 0.30 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.49 1ngk h THR 94 Cb 0.09 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1ngk h THR 94 CO -0.04 0.01 -0.16 0.00 0.37 0.00 0.00 175.52 175.70 1ngk h ALA 95 N 1.02 -0.21 -0.52 6.16 0.00 -0.77 -2.22 119.26 122.73 1ngk h ALA 95 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ngk h ALA 95 Cb 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ngk h ALA 95 CO -0.01 -0.66 0.21 0.28 0.00 0.00 0.00 179.25 179.07 1ngk h VAL 96 N -0.27 1.21 -0.06 0.00 2.07 -0.77 -1.78 116.25 116.64 1ngk h VAL 96 Ca 0.04 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1ngk h VAL 96 Cb 0.33 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1ngk h VAL 96 CO -0.13 0.25 0.13 0.00 0.02 0.00 0.00 177.57 177.83 1ngk h ALA 97 N 1.06 1.43 0.00 1.67 0.00 -0.65 -1.77 119.26 120.99 1ngk h ALA 97 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ngk h ALA 97 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ngk h ALA 97 CO -0.01 -0.16 0.00 -1.13 0.00 0.00 0.00 179.25 177.94 1ngk n SER 98 N -3.43 0.24 -4.72 0.00 3.41 -0.67 -4.72 113.62 103.73 1ngk n SER 98 Ca -0.01 0.54 -0.38 0.00 -0.26 0.00 0.00 58.87 58.76 1ngk n SER 98 Cb 0.21 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 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 -3.08 5.20 0.96 -1.33 -1.09 -0.67 -5.07 121.20 116.13 1ngk s ILE 99 Ca 0.09 0.91 -0.11 0.00 -2.23 0.00 0.00 60.65 59.31 1ngk s ILE 99 Cb 0.12 -3.80 0.17 0.00 -1.58 0.00 0.00 42.46 37.38 1ngk s ILE 99 CO 0.41 0.34 1.09 1.51 -1.23 0.00 0.00 174.94 177.06 1ngk s ASP 100 N 0.57 2.71 0.30 3.58 3.84 -1.26 -4.82 116.67 121.59 1ngk s ASP 100 Ca 0.25 1.73 0.24 0.00 -0.00 0.00 0.00 52.55 54.77 1ngk s ASP 100 Cb -0.15 -2.35 0.44 0.00 -1.38 0.00 0.00 42.92 39.48 1ngk s ASP 100 CO 0.10 -3.16 1.56 0.77 -0.00 0.00 0.00 175.17 174.44 1ngk h SER 101 N -1.91 0.00 -0.10 2.11 4.64 -1.98 -1.57 113.55 114.75 1ngk h SER 101 Ca -0.50 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.70 1ngk h SER 101 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ngk h SER 101 CO 0.49 0.01 -0.28 -0.08 -0.87 0.00 0.00 176.83 176.11 1ngk h GLU 102 N 0.00 0.37 0.40 4.77 4.57 -1.98 -2.44 114.58 120.26 1ngk h GLU 102 Ca 0.00 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 1ngk h GLU 102 Cb 0.89 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1ngk h GLU 102 CO 0.00 0.88 -0.19 1.15 -1.18 0.00 0.00 179.01 179.66 1ngk h THR 103 N -0.08 0.61 -3.73 0.32 2.02 -1.91 -3.40 112.91 106.74 1ngk h THR 103 Ca -0.01 -0.27 -0.66 0.00 0.77 0.00 0.00 66.41 66.24 1ngk h THR 103 Cb 0.89 0.74 -0.39 0.00 -1.74 0.00 0.00 68.15 67.66 1ngk h THR 103 CO 0.06 0.05 -0.75 -0.22 0.37 0.00 0.00 175.52 175.03 1ngk s LEU 104 N -9.82 4.12 0.68 2.58 2.96 -0.59 -4.45 118.68 114.15 1ngk s LEU 104 Ca -0.15 -1.83 -0.09 0.00 -0.22 0.00 0.00 54.13 51.84 1ngk s LEU 104 Cb 0.03 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.20 1ngk s LEU 104 CO 0.59 -0.31 1.02 1.51 -1.32 0.00 0.00 176.35 177.85 1ngk s ASP 105 N 1.02 5.24 0.27 3.68 1.47 -0.92 -3.88 116.67 123.55 1ngk s ASP 105 Ca 0.03 0.80 -0.00 0.00 1.18 0.00 0.00 52.55 54.57 1ngk s ASP 105 Cb -0.19 -1.60 0.63 0.00 -0.34 0.00 0.00 42.92 41.42 1ngk s ASP 105 CO -0.08 -1.38 1.67 0.44 0.68 0.00 0.00 175.17 176.51 1ngk h ASP 106 N -0.54 0.08 -0.27 2.11 3.32 -1.98 0.51 116.42 119.67 1ngk h ASP 106 Ca -0.45 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 1ngk h ASP 106 Cb 1.28 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 1ngk h ASP 106 CO 0.62 -0.07 0.07 -0.08 -1.72 0.00 0.00 179.24 178.06 1ngk h GLU 107 N 0.28 0.42 -0.23 3.56 4.57 -1.98 -1.63 114.58 119.58 1ngk h GLU 107 Ca 0.51 -0.10 -0.20 0.00 -1.18 0.00 0.00 59.36 58.39 1ngk h GLU 107 Cb 0.95 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1ngk h GLU 107 CO -0.57 0.50 -0.62 0.45 -1.18 0.00 0.00 179.01 177.58 1ngk h HIS 108 N 0.26 1.06 -0.63 0.92 3.86 -1.67 -2.38 115.15 116.57 1ngk h HIS 108 Ca 0.08 -0.42 0.13 0.00 -1.16 0.00 0.00 60.37 59.01 1ngk h HIS 108 Cb 0.26 -0.18 -0.10 0.00 1.06 0.00 0.00 27.41 28.45 1ngk h HIS 108 CO 0.01 1.24 0.08 -0.09 0.86 0.00 0.00 177.93 180.03 1ngk h ARG 109 N 0.58 0.19 -0.14 2.45 2.43 -0.91 -0.25 114.38 118.73 1ngk h ARG 109 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ngk h ARG 109 Cb 1.24 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1ngk h ARG 109 CO 0.13 0.12 0.05 -0.09 -1.51 0.00 0.00 179.97 178.68 1ngk h ARG 110 N 0.19 0.21 -0.42 0.20 2.43 -1.12 -0.69 114.38 115.18 1ngk h ARG 110 Ca 0.34 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1ngk h ARG 110 Cb 0.54 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1ngk h ARG 110 CO -0.48 0.31 0.27 1.49 -1.51 0.00 0.00 179.97 180.05 1ngk h GLU 111 N 0.06 0.53 0.19 0.20 4.81 -1.10 0.30 114.58 119.58 1ngk h GLU 111 Ca 0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1ngk h GLU 111 Cb 0.18 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ngk h GLU 111 CO -0.00 0.35 -0.09 1.25 -0.73 0.00 0.00 179.01 179.79 1ngk h LEU 112 N 0.55 -0.22 -0.47 1.64 5.85 -0.94 -1.85 115.31 119.86 1ngk h LEU 112 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ngk h LEU 112 Cb -0.04 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ngk h LEU 112 CO -0.05 -0.15 0.30 -0.07 -0.34 0.00 0.00 178.44 178.14 1ngk h LEU 113 N -0.27 0.55 -0.54 2.25 4.07 -1.04 -1.14 115.31 119.19 1ngk h LEU 113 Ca -0.03 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 57.98 1ngk h LEU 113 Cb 0.21 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.75 1ngk h LEU 113 CO 0.04 0.42 0.20 0.44 -1.08 0.00 0.00 178.44 178.46 1ngk h ASP 114 N 0.64 0.21 -0.25 -0.43 5.19 -0.86 -0.37 116.42 120.55 1ngk h ASP 114 Ca 0.17 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1ngk h ASP 114 Cb -0.05 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1ngk h ASP 114 CO -0.04 0.14 0.09 0.22 -3.12 0.00 0.00 179.24 176.54 1ngk h TYR 115 N 0.39 0.39 -0.71 4.55 5.03 -1.03 -2.35 116.97 123.24 1ngk h TYR 115 Ca 0.26 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.49 1ngk h TYR 115 Cb 0.28 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 1ngk h TYR 115 CO -0.16 0.42 0.25 -0.07 -1.32 0.00 0.00 178.16 177.28 1ngk h LEU 116 N 0.24 1.01 0.03 2.82 3.38 -0.80 0.22 115.31 122.20 1ngk h LEU 116 Ca 0.08 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ngk h LEU 116 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ngk h LEU 116 CO -0.00 0.93 -0.06 -0.33 0.09 0.00 0.00 178.44 179.07 1ngk h GLU 117 N 1.03 -0.11 -0.34 1.13 5.08 -1.05 -0.85 114.58 119.47 1ngk h GLU 117 Ca 0.23 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ngk h GLU 117 Cb 0.27 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ngk h GLU 117 CO -0.01 -0.07 0.22 1.98 -1.00 0.00 0.00 179.01 180.12 1ngk h MET 118 N -0.11 0.46 -0.45 2.33 4.05 -1.18 -2.20 114.93 117.83 1ngk h MET 118 Ca 0.01 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1ngk h MET 118 Cb 0.13 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1ngk h MET 118 CO -0.04 0.33 0.09 0.00 0.23 0.00 0.00 176.91 177.52 1ngk h ALA 119 N 1.11 0.59 -0.83 0.39 0.00 -0.85 -1.22 119.26 118.45 1ngk h ALA 119 Ca 0.12 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ngk h ALA 119 Cb -0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1ngk h ALA 119 CO -0.03 0.29 0.54 0.00 0.00 0.00 0.00 179.25 180.06 1ngk h ALA 120 N 0.96 1.08 -0.68 0.00 0.00 -1.05 -2.13 119.26 117.44 1ngk h ALA 120 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1ngk h ALA 120 Cb 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ngk h ALA 120 CO 0.00 0.42 0.18 1.25 0.00 0.00 0.00 179.25 181.11 1ngk h HIS 121 N 1.09 1.10 0.00 0.00 6.17 -1.09 -2.41 115.15 120.00 1ngk h HIS 121 Ca 0.32 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1ngk h HIS 121 Cb -0.07 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 29.55 1ngk h HIS 121 CO -0.02 0.89 0.00 -1.13 0.71 0.00 0.00 177.93 178.38 1ngk n SER 122 N -4.25 0.44 -0.53 3.26 3.41 -0.49 -2.61 113.62 112.86 1ngk n SER 122 Ca 0.05 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 1ngk n SER 122 Cb 0.24 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.47 1ngk n SER 122 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ngk n LEU 123 N -2.05 2.04 -4.70 1.04 4.77 -0.91 -4.93 117.00 112.28 1ngk n LEU 123 Ca 0.00 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 1ngk n LEU 123 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1ngk n LEU 123 CO 0.11 0.37 1.38 -0.69 -1.33 0.00 0.00 177.39 177.23 1ngk s VAL 124 N -2.08 2.64 -0.01 4.08 1.01 -1.07 -4.76 120.40 120.20 1ngk s VAL 124 Ca 0.18 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1ngk s VAL 124 Cb 0.16 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1ngk s VAL 124 CO 0.44 0.01 0.71 -0.46 0.00 0.00 0.00 175.10 175.79 1ngk n ASN 125 N 5.16 0.41 -3.67 3.32 2.04 0.50 -5.01 115.26 118.01 1ngk n ASN 125 Ca 0.16 -1.45 -0.15 0.00 -0.44 0.00 0.00 54.58 52.70 1ngk n ASN 125 Cb 0.39 -0.06 -0.08 0.00 -2.53 0.00 0.00 39.78 37.50 1ngk n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1ngk s SER 126 N -0.49 -0.39 0.16 0.53 0.15 -0.82 -4.78 113.70 108.06 1ngk s SER 126 Ca 0.02 0.39 0.25 0.00 0.70 0.00 0.00 55.95 57.31 1ngk s SER 126 Cb 0.01 0.45 0.92 0.00 -1.71 0.00 0.00 66.02 65.70 1ngk s SER 126 CO 0.00 -0.48 1.78 -0.81 1.20 0.00 0.00 173.24 174.92 1ngk n PRO 127 N 1.28 0.17 0.00 5.44 -0.04 -1.26 -4.03 135.00 136.55 1ngk n PRO 127 Ca -0.20 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ngk n PRO 127 Cb 0.56 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1ngk n PRO 127 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43