#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk s LYS 3 N 0.00 2.51 0.43 0.54 -0.14 -1.26 -5.13 119.74 116.69 1ngk s LYS 3 Ca 0.00 -0.67 -0.21 0.00 -1.36 0.00 0.00 55.97 53.73 1ngk s LYS 3 Cb 0.00 -2.08 -0.11 0.00 -1.68 0.00 0.00 37.83 33.97 1ngk s LYS 3 CO 0.00 -0.03 0.96 -1.54 -0.76 0.00 0.00 175.35 173.98 1ngk s SER 4 N 0.90 6.87 0.20 2.83 1.04 -1.26 -4.94 113.70 119.34 1ngk s SER 4 Ca -0.07 1.74 -0.11 0.00 0.48 0.00 0.00 55.95 57.98 1ngk s SER 4 Cb -0.15 -2.55 0.25 0.00 0.10 0.00 0.00 66.02 63.68 1ngk s SER 4 CO -0.01 -0.41 1.69 0.15 0.98 0.00 0.00 173.24 175.64 1ngk h PHE 5 N 1.94 0.08 -0.54 5.02 3.57 -1.93 -0.88 116.94 124.21 1ngk h PHE 5 Ca -0.49 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.15 1ngk h PHE 5 Cb 1.19 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 39.87 1ngk h PHE 5 CO 0.61 -0.08 -0.34 -0.92 -2.23 0.00 0.00 178.31 175.35 1ngk h TYR 6 N 0.18 -0.93 -0.47 0.41 3.20 -1.51 -1.53 116.97 116.31 1ngk h TYR 6 Ca 0.29 0.07 -0.13 0.00 3.14 0.00 0.00 58.73 62.10 1ngk h TYR 6 Cb 0.44 0.49 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1ngk h TYR 6 CO -0.29 -0.38 -0.21 -0.44 -1.64 0.00 0.00 178.16 175.20 1ngk h ASP 7 N -0.19 0.98 -0.49 -2.11 3.32 -1.79 0.34 116.42 116.49 1ngk h ASP 7 Ca 0.21 -0.37 0.06 0.00 0.02 0.00 0.00 57.03 56.96 1ngk h ASP 7 Cb 0.55 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1ngk h ASP 7 CO -0.64 1.15 0.33 0.00 -1.72 0.00 0.00 179.24 178.36 1ngk h ALA 8 N 0.92 1.93 -0.32 3.45 0.00 -0.31 -1.51 119.26 123.42 1ngk h ALA 8 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ngk h ALA 8 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ngk h ALA 8 CO 0.06 -0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.62 1ngk n VAL 9 N -4.47 0.40 0.00 0.00 0.24 -0.66 -4.89 118.33 108.95 1ngk n VAL 9 Ca 0.07 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1ngk n VAL 9 Cb 0.26 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.42 1.06 7.00 7.63 0.00 -0.57 -4.63 105.19 117.10 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 -1.81 2.46 0.31 -0.02 0.00 0.12 -3.53 105.19 102.72 1ngk n GLY 11 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.98 1.25 -0.73 4.61 0.00 -1.96 -1.80 119.26 119.64 1ngk h ALA 12 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 12 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ngk h ALA 12 CO 0.00 -0.02 0.48 -0.22 0.00 0.00 0.00 179.25 179.50 1ngk h LYS 13 N 0.69 0.96 -0.13 0.00 3.64 -1.97 -1.12 116.57 118.65 1ngk h LYS 13 Ca 0.44 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1ngk h LYS 13 Cb 0.54 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ngk h LYS 13 CO -0.32 0.64 -0.02 1.15 -2.27 0.00 0.00 179.45 178.64 1ngk h THR 14 N 0.99 1.27 -0.24 1.00 2.02 -1.38 -1.72 112.91 114.85 1ngk h THR 14 Ca 0.27 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 1ngk h THR 14 Cb -0.11 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1ngk h THR 14 CO -0.06 0.26 -0.14 -0.26 0.37 0.00 0.00 175.52 175.70 1ngk h PHE 15 N -0.06 0.43 -0.28 3.16 0.04 -1.28 -0.16 116.94 118.78 1ngk h PHE 15 Ca 0.03 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 1ngk h PHE 15 Cb 0.41 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1ngk h PHE 15 CO 0.04 0.53 -0.07 0.22 -0.60 0.00 0.00 178.31 178.44 1ngk h ASP 16 N 0.37 0.55 -0.15 2.17 3.58 -1.15 -1.28 116.42 120.52 1ngk h ASP 16 Ca 0.07 -0.36 0.04 0.00 0.42 0.00 0.00 57.03 57.19 1ngk h ASP 16 Cb 0.47 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1ngk h ASP 16 CO 0.03 0.79 -0.09 0.00 -2.88 0.00 0.00 179.24 177.09 1ngk h ALA 17 N 0.78 0.04 0.23 -0.78 0.00 -0.88 -0.78 119.26 117.87 1ngk h ALA 17 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ngk h ALA 17 Cb 0.55 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ngk h ALA 17 CO 0.03 -0.53 -0.13 0.82 0.00 0.00 0.00 179.25 179.44 1ngk h ILE 18 N -0.08 0.73 -0.25 0.00 2.04 -0.92 -2.03 117.51 117.00 1ngk h ILE 18 Ca 0.09 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.79 1ngk h ILE 18 Cb 0.21 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1ngk h ILE 18 CO -0.20 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 178.04 1ngk h VAL 19 N -0.34 1.30 -0.51 1.67 2.07 -1.17 0.34 116.25 119.61 1ngk h VAL 19 Ca -0.03 -1.70 -0.09 0.00 0.82 0.00 0.00 66.70 65.70 1ngk h VAL 19 Cb 0.27 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1ngk h VAL 19 CO 0.04 0.54 -0.04 0.77 0.02 0.00 0.00 177.57 178.90 1ngk h SER 20 N 0.53 0.92 -0.02 0.57 4.64 -1.11 0.74 113.55 119.81 1ngk h SER 20 Ca 0.02 -0.33 -0.14 0.00 -0.47 0.00 0.00 61.79 60.88 1ngk h SER 20 Cb 1.04 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1ngk h SER 20 CO 0.10 1.02 -0.45 0.03 -0.87 0.00 0.00 176.83 176.67 1ngk h ARG 21 N 0.79 0.56 0.07 4.77 -0.00 -1.21 -1.05 114.38 118.31 1ngk h ARG 21 Ca 0.14 -0.31 0.01 0.00 -0.50 0.00 0.00 59.98 59.32 1ngk h ARG 21 Cb 0.58 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 1ngk h ARG 21 CO 0.03 0.90 -0.10 0.35 0.00 0.00 0.00 179.97 181.16 1ngk h PHE 22 N 0.46 -0.25 -0.03 3.04 3.57 -0.72 -1.20 116.94 121.82 1ngk h PHE 22 Ca 0.03 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1ngk h PHE 22 Cb 0.96 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1ngk h PHE 22 CO 0.04 -0.15 -0.26 1.88 -2.23 0.00 0.00 178.31 177.59 1ngk h TYR 23 N -0.20 0.05 -0.43 0.41 0.05 -0.67 -0.11 116.97 116.06 1ngk h TYR 23 Ca 0.01 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 1ngk h TYR 23 Cb 0.21 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 1ngk h TYR 23 CO -0.13 0.30 -0.10 0.00 -1.05 0.00 0.00 178.16 177.19 1ngk h ALA 24 N 1.70 1.02 -0.40 3.88 0.00 -1.01 -2.63 119.26 121.82 1ngk h ALA 24 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1ngk h ALA 24 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ngk h ALA 24 CO 0.04 0.59 -0.09 1.96 0.00 0.00 0.00 179.25 181.75 1ngk h GLN 25 N 0.70 0.77 -0.41 0.00 1.08 -0.01 -3.14 115.11 114.10 1ngk h GLN 25 Ca 0.12 -0.29 0.08 0.00 -1.45 0.00 0.00 58.65 57.11 1ngk h GLN 25 Cb 0.57 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.87 1ngk h GLN 25 CO 0.03 0.90 -0.09 0.28 -0.95 0.00 0.00 178.83 179.01 1ngk h VAL 26 N 0.59 0.60 -0.53 -0.54 2.07 -0.96 -0.29 116.25 117.19 1ngk h VAL 26 Ca 0.10 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.75 1ngk h VAL 26 Cb 0.61 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1ngk h VAL 26 CO 0.04 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.00 1ngk h ALA 27 N 1.40 2.31 -0.01 1.67 0.00 -1.46 -0.48 119.26 122.70 1ngk h ALA 27 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 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 -0.41 -0.46 -0.06 -1.91 0.00 0.00 0.00 179.25 176.41 1ngk n GLU 28 N -4.42 1.33 -3.64 0.00 4.07 -0.19 -4.78 120.64 113.01 1ngk n GLU 28 Ca 0.09 -0.70 -0.38 0.00 -0.06 0.00 0.00 57.16 56.12 1ngk n GLU 28 Cb 0.51 -1.49 -0.11 0.00 -0.06 0.00 0.00 31.44 30.29 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 -2.15 5.84 0.32 4.31 -1.08 -0.19 -4.97 116.67 118.75 1ngk s ASP 29 Ca 0.35 -0.04 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 1ngk s ASP 29 Cb 0.21 -2.08 0.70 0.00 -1.46 0.00 0.00 42.92 40.29 1ngk s ASP 29 CO 0.39 -0.03 1.86 -0.33 0.52 0.00 0.00 175.17 177.57 1ngk h GLU 30 N 8.24 0.81 0.23 4.34 3.07 -1.89 -0.10 114.58 129.28 1ngk h GLU 30 Ca -0.36 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.44 1ngk h GLU 30 Cb 1.18 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1ngk h GLU 30 CO 0.57 0.53 -0.11 0.28 -1.40 0.00 0.00 179.01 178.88 1ngk h VAL 31 N 0.83 0.49 0.03 3.13 2.07 -1.93 -3.40 116.25 117.48 1ngk h VAL 31 Ca 0.46 -0.95 -0.22 0.00 0.82 0.00 0.00 66.70 66.82 1ngk h VAL 31 Cb 0.60 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1ngk h VAL 31 CO -0.23 0.13 -0.97 -0.07 0.02 0.00 0.00 177.57 176.45 1ngk h LEU 32 N -0.98 0.28 -2.13 2.57 3.38 -1.79 -3.27 115.31 113.37 1ngk h LEU 32 Ca -0.03 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.74 1ngk h LEU 32 Cb 0.45 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ngk h LEU 32 CO 0.05 1.10 0.31 0.08 0.09 0.00 0.00 178.44 180.07 1ngk h ARG 33 N 0.10 0.00 0.00 1.13 0.11 -0.97 0.13 114.38 114.88 1ngk h ARG 33 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1ngk h ARG 33 Cb 1.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.72 1ngk h ARG 33 CO 0.15 0.00 -0.75 0.00 0.10 0.00 0.00 179.97 179.47 1ngk h ARG 34 N 0.00 0.00 0.04 0.08 2.47 -1.78 -3.39 114.38 111.80 1ngk h ARG 34 Ca 0.10 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.67 1ngk h ARG 34 Cb 0.71 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 1ngk h ARG 34 CO -0.00 0.00 -0.77 0.28 0.56 0.00 0.00 179.97 180.04 1ngk h VAL 35 N 0.00 1.34 -2.69 2.04 2.07 -0.89 -3.45 116.25 114.67 1ngk h VAL 35 Ca 0.00 -2.33 -0.54 0.00 0.82 0.00 0.00 66.70 64.65 1ngk h VAL 35 Cb 0.95 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1ngk h VAL 35 CO 0.00 0.55 1.01 -0.31 0.02 0.00 0.00 177.57 178.84 1ngk s TYR 36 N -2.34 2.27 -0.48 1.57 1.51 -1.10 -4.91 117.35 113.87 1ngk s TYR 36 Ca -0.22 0.35 -0.44 0.00 -1.01 0.00 0.00 57.07 55.75 1ngk s TYR 36 Cb 0.02 -3.88 -0.19 0.00 -0.11 0.00 0.00 41.96 37.80 1ngk s TYR 36 CO 0.69 -3.56 1.92 -2.30 -1.11 0.00 0.00 175.55 171.19 1ngk n PRO 37 N 6.38 0.13 -0.26 -1.71 -0.02 -1.26 -4.83 135.00 133.43 1ngk n PRO 37 Ca 0.16 0.04 0.24 0.00 -2.02 0.00 0.00 63.50 61.92 1ngk n PRO 37 Cb 0.42 -1.59 0.59 0.00 -0.02 0.00 0.00 33.50 32.91 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 7.64 0.24 -0.35 -0.52 4.22 -1.91 -2.63 114.58 121.27 1ngk h GLU 38 Ca -0.25 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.17 1ngk h GLU 38 Cb 1.39 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1ngk h GLU 38 CO 1.04 0.16 0.00 -0.40 -2.18 0.00 0.00 179.01 177.63 1ngk n ASP 39 N -4.44 2.79 -1.45 1.04 3.85 -1.26 -4.41 116.55 112.67 1ngk n ASP 39 Ca 0.21 -1.91 0.02 0.00 -0.71 0.00 0.00 54.79 52.41 1ngk n ASP 39 Cb 0.88 -0.22 0.01 0.00 -1.35 0.00 0.00 41.12 40.43 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 1.05 0.73 0.16 -1.12 2.03 -0.99 -4.90 116.55 113.50 1ngk n ASP 40 Ca 0.18 -2.00 0.02 0.00 0.52 0.00 0.00 54.79 53.51 1ngk n ASP 40 Cb 0.49 -0.22 0.33 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.88 0.07 0.02 -2.67 3.38 -1.77 -1.72 115.31 113.49 1ngk h LEU 41 Ca -0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ngk h LEU 41 Cb 1.83 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1ngk h LEU 41 CO 0.05 0.42 -0.01 0.00 0.09 0.00 0.00 178.44 178.99 1ngk h ALA 42 N 1.58 -0.02 -0.73 1.53 0.00 -1.94 -1.37 119.26 118.31 1ngk h ALA 42 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1ngk h ALA 42 Cb 0.67 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1ngk h ALA 42 CO 0.05 -0.34 0.30 0.78 0.00 0.00 0.00 179.25 180.04 1ngk h GLY 43 N -0.37 1.16 0.98 0.00 0.00 -1.93 -1.01 103.07 101.89 1ngk h GLY 43 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1ngk h GLY 43 CO 0.00 0.58 0.09 0.00 0.00 0.00 0.00 176.54 177.22 1ngk h ALA 44 N 1.15 0.19 -0.43 3.60 0.00 -1.29 0.55 119.26 123.03 1ngk h ALA 44 Ca 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ngk h ALA 44 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ngk h ALA 44 CO -0.02 -0.34 0.27 1.49 0.00 0.00 0.00 179.25 180.65 1ngk h GLU 45 N 0.19 0.53 -0.86 0.00 4.81 -1.05 -2.00 114.58 116.19 1ngk h GLU 45 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1ngk h GLU 45 Cb -0.01 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1ngk h GLU 45 CO -0.02 0.35 0.45 1.49 -0.73 0.00 0.00 179.01 180.54 1ngk h GLU 46 N 0.54 1.22 -0.49 1.92 4.81 -0.69 -1.73 114.58 120.16 1ngk h GLU 46 Ca 0.16 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1ngk h GLU 46 Cb -0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 1ngk h GLU 46 CO -0.05 0.91 -0.21 0.00 -0.73 0.00 0.00 179.01 178.93 1ngk h ARG 47 N 1.22 1.01 -0.44 1.92 3.08 -0.63 -0.30 114.38 120.23 1ngk h ARG 47 Ca 0.30 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1ngk h ARG 47 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1ngk h ARG 47 CO -0.04 1.11 0.21 1.25 -1.07 0.00 0.00 179.97 181.43 1ngk h LEU 48 N 0.87 0.57 -0.02 3.04 5.85 -1.22 -0.48 115.31 123.92 1ngk h LEU 48 Ca 0.11 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ngk h LEU 48 Cb 0.80 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1ngk h LEU 48 CO 0.07 0.54 0.01 -0.09 -0.34 0.00 0.00 178.44 178.63 1ngk h ARG 49 N 0.57 0.03 -0.95 1.25 2.43 -1.17 -0.78 114.38 115.76 1ngk h ARG 49 Ca 0.15 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1ngk h ARG 49 Cb 0.11 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1ngk h ARG 49 CO -0.02 0.03 0.62 0.52 -1.51 0.00 0.00 179.97 179.61 1ngk h MET 50 N 0.01 1.18 -0.19 0.20 2.86 -0.94 -0.53 114.93 117.52 1ngk h MET 50 Ca 0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1ngk h MET 50 Cb 0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1ngk h MET 50 CO -0.00 0.78 0.07 0.35 1.06 0.00 0.00 176.91 179.17 1ngk h PHE 51 N 1.22 0.30 -0.49 -0.22 3.57 -0.70 -2.24 116.94 118.37 1ngk h PHE 51 Ca 0.37 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 1ngk h PHE 51 Cb -0.02 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1ngk h PHE 51 CO -0.01 0.37 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.20 1ngk h LEU 52 N 0.14 0.97 -0.52 0.59 4.07 -0.86 -0.01 115.31 119.69 1ngk h LEU 52 Ca 0.06 -0.34 0.05 0.00 0.08 0.00 0.00 57.88 57.73 1ngk h LEU 52 Cb 0.20 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 41.63 1ngk h LEU 52 CO -0.00 1.12 0.27 -0.33 -1.08 0.00 0.00 178.44 178.41 1ngk h GLU 53 N 0.85 0.50 0.06 1.13 5.08 -1.04 -2.22 114.58 118.93 1ngk h GLU 53 Ca 0.12 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ngk h GLU 53 Cb 0.72 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ngk h GLU 53 CO 0.06 0.33 -0.03 0.37 -1.00 0.00 0.00 179.01 178.74 1ngk h GLN 54 N 0.51 -0.08 -1.00 2.33 4.15 -1.14 0.52 115.11 120.41 1ngk h GLN 54 Ca 0.23 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.78 1ngk h GLN 54 Cb 0.14 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 27.76 1ngk h GLN 54 CO -0.16 0.14 0.63 -0.92 -1.93 0.00 0.00 178.83 176.59 1ngk h TYR 55 N -0.29 1.13 -0.51 3.99 5.03 -0.75 -2.06 116.97 123.51 1ngk h TYR 55 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1ngk h TYR 55 Cb 0.26 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.18 1ngk h TYR 55 CO -0.00 0.43 0.00 0.91 -1.32 0.00 0.00 178.16 178.18 1ngk n TRP 56 N -4.63 0.95 0.00 -3.82 7.02 -0.86 -4.89 117.44 111.21 1ngk n TRP 56 Ca 0.19 -0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 1ngk n TRP 56 Cb 0.38 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 29.16 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 1.12 1.03 0.00 6.99 0.00 -0.77 -1.31 105.19 112.24 1ngk n GLY 57 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.62 0.48 3.62 -0.02 0.00 0.18 -4.81 105.19 103.02 1ngk n GLY 58 Ca 0.00 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 1.33 -0.97 1.61 -0.02 -1.26 -4.53 135.00 131.16 1ngk n PRO 59 Ca 0.00 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 61.93 1ngk n PRO 59 Cb 0.00 -2.12 0.32 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.13 3.83 -0.32 -0.52 1.74 -1.26 -3.29 116.66 116.71 1ngk n ARG 60 Ca 0.10 -3.10 0.04 0.00 -0.77 0.00 0.00 57.85 54.11 1ngk n ARG 60 Cb 0.41 -2.20 0.23 0.00 -1.02 0.00 0.00 32.46 29.88 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 2.80 1.07 -0.31 0.55 2.02 -1.90 -3.01 112.91 114.12 1ngk h THR 61 Ca 0.21 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 67.10 1ngk h THR 61 Cb 2.22 -0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 68.47 1ngk h THR 61 CO 0.67 0.19 -0.26 0.22 0.37 0.00 0.00 175.52 176.71 1ngk h TYR 62 N 1.06 -0.70 -0.74 3.16 3.20 -1.79 -1.19 116.97 119.97 1ngk h TYR 62 Ca 0.40 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.31 1ngk h TYR 62 Cb 0.19 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 1ngk h TYR 62 CO -0.00 -0.34 0.43 0.66 -1.64 0.00 0.00 178.16 177.28 1ngk h SER 63 N -0.24 0.90 -0.93 -2.11 4.64 -1.70 0.22 113.55 114.34 1ngk h SER 63 Ca 0.16 -0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 1ngk h SER 63 Cb 0.49 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 1ngk h SER 63 CO -0.45 0.71 0.59 -0.33 -0.87 0.00 0.00 176.83 176.48 1ngk h GLU 64 N 1.01 1.08 0.10 4.77 5.08 -1.38 0.22 114.58 125.46 1ngk h GLU 64 Ca 0.26 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 58.23 1ngk h GLU 64 Cb -0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1ngk h GLU 64 CO -0.05 0.71 -1.73 1.96 -1.00 0.00 0.00 179.01 178.90 1ngk h GLN 65 N 1.11 0.22 -0.00 2.33 1.08 -0.79 -3.40 115.11 115.66 1ngk h GLN 65 Ca 0.39 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1ngk h GLN 65 Cb 0.10 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1ngk h GLN 65 CO -0.15 1.04 -0.11 0.54 -0.95 0.00 0.00 178.83 179.20 1ngk n ARG 66 N -3.39 3.67 0.00 1.46 5.12 0.74 -5.11 116.66 119.15 1ngk n ARG 66 Ca -0.22 -0.26 0.00 0.00 -1.93 0.00 0.00 57.85 55.44 1ngk n ARG 66 Cb 1.05 -0.81 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 0.79 -1.17 3.69 -0.13 0.00 0.77 -4.81 105.19 104.33 1ngk n GLY 67 Ca 0.01 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.02 2.20 -0.31 1.61 8.25 -1.26 -4.20 115.22 121.49 1ngk n HIS 68 Ca 0.00 0.56 0.10 0.00 -0.26 0.00 0.00 57.72 58.12 1ngk n HIS 68 Cb 0.00 -2.40 0.26 0.00 1.12 0.00 0.00 29.99 28.97 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 2.59 0.57 -6.98 -0.41 0.11 -1.96 -3.45 132.00 122.46 1ngk h PRO 69 Ca -0.45 -0.03 -0.60 0.00 0.11 0.00 0.00 66.00 65.02 1ngk h PRO 69 Cb 1.29 -0.13 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 1ngk h PRO 69 CO 0.63 0.38 -0.98 0.54 -0.21 0.00 0.00 178.00 178.36 1ngk n ARG 70 N -4.90 -0.90 -0.05 1.05 1.74 -1.26 -4.73 116.66 107.60 1ngk n ARG 70 Ca 0.19 0.12 -0.02 0.00 -0.77 0.00 0.00 57.85 57.38 1ngk n ARG 70 Cb 0.52 -3.32 0.25 0.00 -1.02 0.00 0.00 32.46 28.89 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 -2.08 0.61 0.08 0.55 3.38 -1.98 -1.22 115.31 114.65 1ngk h LEU 71 Ca -0.68 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.20 1ngk h LEU 71 Cb 1.40 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 1ngk h LEU 71 CO 0.63 0.66 -0.37 -0.09 0.09 0.00 0.00 178.44 179.36 1ngk h ARG 72 N 0.62 -0.56 -0.21 1.13 2.43 -1.93 -0.98 114.38 114.88 1ngk h ARG 72 Ca 0.13 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1ngk h ARG 72 Cb 0.34 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1ngk h ARG 72 CO 0.01 -0.37 -0.18 0.52 -1.51 0.00 0.00 179.97 178.44 1ngk h MET 73 N -0.58 0.37 0.00 0.20 2.86 -1.81 -0.74 114.93 115.23 1ngk h MET 73 Ca 0.04 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1ngk h MET 73 Cb 0.62 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1ngk h MET 73 CO -0.24 0.55 -0.17 0.00 1.06 0.00 0.00 176.91 178.11 1ngk h ARG 74 N 0.34 0.00 -0.01 1.72 3.08 -0.86 -2.89 114.38 115.77 1ngk h ARG 74 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ngk h ARG 74 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ngk h ARG 74 CO 0.03 0.17 -0.80 0.72 -1.07 0.00 0.00 179.97 179.03 1ngk n HIS 75 N -3.45 0.00 -0.29 3.04 8.25 -0.41 -4.46 115.22 117.90 1ngk n HIS 75 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1ngk n HIS 75 Cb 0.34 -0.01 0.41 0.00 1.12 0.00 0.00 29.99 31.86 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 3.33 1.92 0.00 -1.41 0.00 -0.93 0.22 119.26 122.40 1ngk h ALA 76 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ngk h ALA 76 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ngk h ALA 76 CO 0.00 -0.23 0.00 -2.30 0.00 0.00 0.00 179.25 176.72 1ngk n PRO 77 N -4.61 0.00 -5.27 0.00 -0.02 -1.26 -4.71 135.00 119.13 1ngk n PRO 77 Ca 0.20 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 1ngk n PRO 77 Cb 0.60 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.42 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 -3.00 2.39 -0.69 6.00 0.40 0.07 -5.08 117.98 118.06 1ngk s PHE 78 Ca 0.02 -0.53 -0.25 0.00 -0.60 0.00 0.00 56.93 55.57 1ngk s PHE 78 Cb 0.02 -1.54 0.05 0.00 0.51 0.00 0.00 43.02 42.06 1ngk s PHE 78 CO 0.07 -0.09 1.14 1.03 0.70 0.00 0.00 175.22 178.07 1ngk s ARG 79 N -0.45 3.19 -0.46 0.44 0.52 -1.26 -4.89 118.95 116.03 1ngk s ARG 79 Ca 0.05 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 54.72 1ngk s ARG 79 Cb -0.11 -4.18 0.10 0.00 0.52 0.00 0.00 34.95 31.27 1ngk s ARG 79 CO 0.01 -1.97 0.34 0.42 0.02 0.00 0.00 175.30 174.12 1ngk s ILE 80 N 4.99 4.49 0.52 1.52 1.01 -1.26 -4.91 121.20 127.56 1ngk s ILE 80 Ca 0.31 -1.48 0.04 0.00 0.00 0.00 0.00 60.65 59.51 1ngk s ILE 80 Cb -0.11 -3.82 0.09 0.00 0.01 0.00 0.00 42.46 38.63 1ngk s ILE 80 CO 0.14 -0.65 0.71 -1.54 0.00 0.00 0.00 174.94 173.60 1ngk n SER 81 N 5.00 1.40 -0.08 3.58 3.41 -1.25 -0.41 113.62 125.27 1ngk n SER 81 Ca -0.10 -2.07 0.19 0.00 -0.26 0.00 0.00 58.87 56.62 1ngk n SER 81 Cb 0.42 -0.42 0.62 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.16 -0.30 1.04 3.38 -1.88 -0.99 115.31 116.71 1ngk h LEU 82 Ca -0.24 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1ngk h LEU 82 Cb 0.98 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1ngk h LEU 82 CO 0.30 0.08 0.13 0.40 0.09 0.00 0.00 178.44 179.43 1ngk h ILE 83 N 0.17 1.17 -0.20 1.22 2.04 -1.95 0.12 117.51 120.07 1ngk h ILE 83 Ca 0.31 -0.52 -0.17 0.00 1.00 0.00 0.00 64.86 65.48 1ngk h ILE 83 Cb 0.99 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1ngk h ILE 83 CO -0.05 0.18 -0.57 -0.33 0.00 0.00 0.00 178.15 177.38 1ngk h GLU 84 N 0.34 0.63 -0.16 2.37 3.07 -1.74 -2.07 114.58 117.01 1ngk h GLU 84 Ca 0.10 -0.41 0.03 0.00 -0.50 0.00 0.00 59.36 58.58 1ngk h GLU 84 Cb 0.16 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1ngk h GLU 84 CO -0.01 1.02 -0.00 -0.09 -1.40 0.00 0.00 179.01 178.53 1ngk h ARG 85 N 0.48 0.05 -0.65 2.33 2.43 -1.12 -0.15 114.38 117.74 1ngk h ARG 85 Ca 0.01 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1ngk h ARG 85 Cb 1.13 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1ngk h ARG 85 CO 0.11 0.03 0.10 -0.44 -1.51 0.00 0.00 179.97 178.27 1ngk h ASP 86 N 0.05 1.03 -0.66 -3.80 3.45 -0.92 -1.02 116.42 114.55 1ngk h ASP 86 Ca 0.07 -0.24 -0.08 0.00 0.43 0.00 0.00 57.03 57.21 1ngk h ASP 86 Cb 0.09 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.56 1ngk h ASP 86 CO -0.13 1.02 0.09 0.00 -1.57 0.00 0.00 179.24 178.65 1ngk h ALA 87 N 1.09 0.87 -0.27 3.45 0.00 -1.28 -0.13 119.26 122.99 1ngk h ALA 87 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ngk h ALA 87 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ngk h ALA 87 CO 0.01 0.66 0.14 2.35 0.00 0.00 0.00 179.25 182.41 1ngk h TRP 88 N 1.02 0.39 -0.64 0.00 7.01 -0.71 -2.16 115.95 120.85 1ngk h TRP 88 Ca 0.20 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.10 1ngk h TRP 88 Cb 0.47 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 1ngk h TRP 88 CO 0.03 0.34 0.09 -0.07 -2.79 0.00 0.00 178.44 176.04 1ngk h LEU 89 N 0.32 1.02 -0.14 0.65 3.38 -1.03 -1.28 115.31 118.23 1ngk h LEU 89 Ca 0.10 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ngk h LEU 89 Cb 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1ngk h LEU 89 CO -0.01 1.02 -0.11 0.03 0.09 0.00 0.00 178.44 179.45 1ngk h ARG 90 N 0.99 -0.12 -0.77 1.13 3.08 -0.88 0.23 114.38 118.04 1ngk h ARG 90 Ca 0.19 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1ngk h ARG 90 Cb 0.45 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1ngk h ARG 90 CO 0.01 -0.08 0.40 0.00 -1.07 0.00 0.00 179.97 179.23 1ngk h MET 92 N 1.06 0.87 -0.79 0.00 1.85 -0.99 -1.22 114.93 115.71 1ngk h MET 92 Ca 0.27 -0.54 0.01 0.00 -0.61 0.00 0.00 59.70 58.83 1ngk h MET 92 Cb 0.06 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.11 1ngk h MET 92 CO -0.04 1.18 0.53 0.45 -0.40 0.00 0.00 176.91 178.62 1ngk h HIS 93 N 0.67 1.00 0.05 1.39 -0.00 -0.38 0.18 115.15 118.06 1ngk h HIS 93 Ca 0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1ngk h HIS 93 Cb 1.14 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 28.21 1ngk h HIS 93 CO 0.07 0.63 -0.02 1.15 -0.00 0.00 0.00 177.93 179.76 1ngk h THR 94 N 1.08 0.98 -0.22 2.45 2.02 -1.11 -0.74 112.91 117.36 1ngk h THR 94 Ca 0.29 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.44 1ngk h THR 94 Cb -0.12 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1ngk h THR 94 CO -0.06 0.02 -0.06 0.00 0.37 0.00 0.00 175.52 175.78 1ngk h ALA 95 N 0.85 0.14 -0.43 6.16 0.00 -0.81 -2.52 119.26 122.65 1ngk h ALA 95 Ca -0.01 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ngk h ALA 95 Cb 0.08 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ngk h ALA 95 CO 0.01 -0.48 0.07 0.28 0.00 0.00 0.00 179.25 179.13 1ngk h VAL 96 N -0.01 1.20 0.00 0.00 2.07 -0.50 -2.75 116.25 116.27 1ngk h VAL 96 Ca 0.11 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1ngk h VAL 96 Cb 0.17 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ngk h VAL 96 CO -0.24 0.27 -0.04 0.00 0.02 0.00 0.00 177.57 177.59 1ngk h ALA 97 N 1.45 1.02 0.00 1.67 0.00 -0.72 -2.33 119.26 120.35 1ngk h ALA 97 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 97 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ngk h ALA 97 CO 0.00 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1ngk n SER 98 N -3.17 0.00 -4.72 0.00 3.41 -1.01 -4.72 113.62 103.40 1ngk n SER 98 Ca -0.00 0.08 -0.39 0.00 -0.26 0.00 0.00 58.87 58.30 1ngk n SER 98 Cb 0.29 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.71 5.10 0.82 -1.33 -1.09 -0.88 -5.06 121.20 116.05 1ngk s ILE 99 Ca 0.23 1.18 -0.11 0.00 -2.23 0.00 0.00 60.65 59.72 1ngk s ILE 99 Cb 0.19 -3.92 0.08 0.00 -1.58 0.00 0.00 42.46 37.24 1ngk s ILE 99 CO 0.46 0.31 1.09 1.51 -1.23 0.00 0.00 174.94 177.08 1ngk s ASP 100 N 0.60 4.13 0.41 3.58 1.47 -1.26 -4.81 116.67 120.79 1ngk s ASP 100 Ca 0.31 1.62 0.27 0.00 1.18 0.00 0.00 52.55 55.94 1ngk s ASP 100 Cb -0.16 -2.33 0.86 0.00 -0.34 0.00 0.00 42.92 40.95 1ngk s ASP 100 CO 0.14 -2.25 1.78 0.77 0.68 0.00 0.00 175.17 176.30 1ngk h SER 101 N -1.28 0.00 -0.45 2.11 4.64 -1.97 -0.99 113.55 115.62 1ngk h SER 101 Ca -0.46 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.73 1ngk h SER 101 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1ngk h SER 101 CO 0.54 0.00 -0.23 -0.33 -0.87 0.00 0.00 176.83 175.94 1ngk h GLU 102 N 0.00 0.95 0.05 4.77 5.08 -1.98 -2.70 114.58 120.75 1ngk h GLU 102 Ca 0.00 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1ngk h GLU 102 Cb 0.70 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ngk h GLU 102 CO 0.00 1.09 -0.02 1.15 -1.00 0.00 0.00 179.01 180.22 1ngk h THR 103 N 0.79 1.19 -3.47 1.13 2.02 -1.88 -3.41 112.91 109.28 1ngk h THR 103 Ca 0.10 -1.62 -0.66 0.00 0.77 0.00 0.00 66.41 64.99 1ngk h THR 103 Cb 0.81 2.13 -0.39 0.00 -1.74 0.00 0.00 68.15 68.96 1ngk h THR 103 CO 0.07 0.36 -0.56 -0.22 0.37 0.00 0.00 175.52 175.54 1ngk s LEU 104 N -8.63 4.67 0.95 2.58 0.20 -0.39 -4.44 118.68 113.62 1ngk s LEU 104 Ca -0.14 -2.82 -0.12 0.00 0.69 0.00 0.00 54.13 51.74 1ngk s LEU 104 Cb -0.01 -1.71 0.16 0.00 -0.43 0.00 0.00 46.19 44.20 1ngk s LEU 104 CO 0.52 -0.30 1.09 1.51 -0.29 0.00 0.00 176.35 178.88 1ngk s ASP 105 N 0.22 2.97 0.34 3.68 1.47 -1.02 -4.22 116.67 120.12 1ngk s ASP 105 Ca 0.16 1.48 0.07 0.00 1.18 0.00 0.00 52.55 55.44 1ngk s ASP 105 Cb -0.23 -2.15 0.77 0.00 -0.34 0.00 0.00 42.92 40.96 1ngk s ASP 105 CO -0.02 -2.95 1.87 0.44 0.68 0.00 0.00 175.17 175.19 1ngk h ASP 106 N -1.77 0.70 -0.17 2.11 3.32 -1.98 -0.11 116.42 118.52 1ngk h ASP 106 Ca -0.51 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.52 1ngk h ASP 106 Cb 1.30 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ngk h ASP 106 CO 0.54 0.36 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.25 1ngk h GLU 107 N 0.75 0.37 -0.06 3.56 4.81 -1.98 -1.66 114.58 120.37 1ngk h GLU 107 Ca 0.45 -0.17 -0.19 0.00 -0.13 0.00 0.00 59.36 59.32 1ngk h GLU 107 Cb 0.65 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1ngk h GLU 107 CO -0.21 0.69 -0.76 0.45 -0.73 0.00 0.00 179.01 178.45 1ngk h HIS 108 N 0.05 0.51 -0.25 0.92 3.86 -1.78 -2.63 115.15 115.83 1ngk h HIS 108 Ca 0.04 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 59.05 1ngk h HIS 108 Cb 0.58 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1ngk h HIS 108 CO 0.07 1.00 0.03 -0.09 0.86 0.00 0.00 177.93 179.79 1ngk h ARG 109 N 0.24 0.11 -0.43 2.45 2.43 -1.01 -0.66 114.38 117.51 1ngk h ARG 109 Ca -0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1ngk h ARG 109 Cb 1.34 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1ngk h ARG 109 CO 0.13 0.07 0.22 -0.09 -1.51 0.00 0.00 179.97 178.79 1ngk h ARG 110 N 0.12 0.61 -0.85 0.20 9.65 -1.30 -0.53 114.38 122.27 1ngk h ARG 110 Ca 0.11 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1ngk h ARG 110 Cb 0.13 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 1ngk h ARG 110 CO -0.17 0.52 0.51 1.49 2.80 0.00 0.00 179.97 185.12 1ngk h GLU 111 N 0.55 1.16 0.27 0.20 4.81 -1.27 -0.33 114.58 119.97 1ngk h GLU 111 Ca 0.15 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1ngk h GLU 111 Cb 0.10 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1ngk h GLU 111 CO -0.02 0.81 -0.13 1.25 -0.73 0.00 0.00 179.01 180.20 1ngk h LEU 112 N 1.17 -0.30 -1.20 1.64 5.85 -0.85 -2.45 115.31 119.16 1ngk h LEU 112 Ca 0.30 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ngk h LEU 112 Cb -0.04 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1ngk h LEU 112 CO -0.06 0.01 0.44 -0.07 -0.34 0.00 0.00 178.44 178.42 1ngk h LEU 113 N -0.64 0.87 -0.66 2.25 3.38 -1.03 -1.19 115.31 118.30 1ngk h LEU 113 Ca -0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ngk h LEU 113 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ngk h LEU 113 CO 0.06 0.67 0.37 0.44 0.09 0.00 0.00 178.44 180.07 1ngk h ASP 114 N 1.00 0.82 -0.31 -0.43 3.45 -1.04 -1.01 116.42 118.90 1ngk h ASP 114 Ca 0.26 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 1ngk h ASP 114 Cb -0.04 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 1ngk h ASP 114 CO -0.05 0.67 0.15 0.22 -1.57 0.00 0.00 179.24 178.66 1ngk h TYR 115 N 0.90 0.44 -0.32 4.55 5.03 -0.91 -2.40 116.97 124.26 1ngk h TYR 115 Ca 0.23 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.42 1ngk h TYR 115 Cb 0.02 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 1ngk h TYR 115 CO -0.01 0.39 -0.24 -0.07 -1.32 0.00 0.00 178.16 176.91 1ngk h LEU 116 N 0.37 0.64 -0.22 2.82 3.38 -1.03 -0.05 115.31 121.22 1ngk h LEU 116 Ca 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ngk h LEU 116 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ngk h LEU 116 CO -0.01 0.86 0.07 -0.33 0.09 0.00 0.00 178.44 179.13 1ngk h GLU 117 N 0.55 0.33 -0.32 1.13 4.39 -1.16 -0.48 114.58 119.02 1ngk h GLU 117 Ca 0.08 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1ngk h GLU 117 Cb 0.71 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1ngk h GLU 117 CO 0.05 0.41 0.04 1.98 -1.16 0.00 0.00 179.01 180.33 1ngk h MET 118 N 0.19 0.54 -0.63 2.33 4.05 -1.24 -2.53 114.93 117.64 1ngk h MET 118 Ca 0.07 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1ngk h MET 118 Cb 0.21 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1ngk h MET 118 CO -0.00 0.64 0.31 0.00 0.23 0.00 0.00 176.91 178.09 1ngk h ALA 119 N 0.88 0.81 -0.32 0.39 0.00 -0.97 -1.50 119.26 118.55 1ngk h ALA 119 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ngk h ALA 119 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ngk h ALA 119 CO 0.01 0.37 0.16 0.00 0.00 0.00 0.00 179.25 179.79 1ngk h ALA 120 N 1.14 0.41 -1.01 0.00 0.00 -1.03 -2.49 119.26 116.27 1ngk h ALA 120 Ca 0.22 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ngk h ALA 120 Cb 0.11 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1ngk h ALA 120 CO -0.03 -0.03 0.66 1.25 0.00 0.00 0.00 179.25 181.10 1ngk h HIS 121 N 0.38 1.24 0.00 0.00 6.17 -1.27 -2.28 115.15 119.40 1ngk h HIS 121 Ca 0.11 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.22 1ngk h HIS 121 Cb 0.11 -0.41 0.00 0.00 2.52 0.00 0.00 27.41 29.63 1ngk h HIS 121 CO -0.02 0.72 0.00 -1.13 0.71 0.00 0.00 177.93 178.21 1ngk n SER 122 N -4.44 0.00 -0.74 3.26 3.41 -0.58 -1.89 113.62 112.64 1ngk n SER 122 Ca 0.14 0.43 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1ngk n SER 122 Cb 0.09 -0.46 0.07 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.46 2.53 -4.72 1.04 4.32 -0.86 -4.93 117.00 112.91 1ngk n LEU 123 Ca 0.03 -0.97 -0.42 0.00 -0.02 0.00 0.00 56.01 54.63 1ngk n LEU 123 Cb 0.13 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1ngk n LEU 123 CO 0.11 0.44 1.26 -0.69 -1.22 0.00 0.00 177.39 177.29 1ngk s VAL 124 N -1.67 2.39 0.00 4.08 1.01 -0.79 -4.76 120.40 120.66 1ngk s VAL 124 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1ngk s VAL 124 Cb 0.16 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1ngk s VAL 124 CO 0.27 0.03 0.35 -0.46 0.00 0.00 0.00 175.10 175.28 1ngk n ASN 125 N 3.67 0.00 -3.81 3.32 2.04 0.45 -5.01 115.26 115.92 1ngk n ASN 125 Ca 0.13 -1.00 -0.12 0.00 -0.44 0.00 0.00 54.58 53.15 1ngk n ASN 125 Cb 0.37 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.53 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 0.00 -0.11 0.48 0.53 0.15 -0.78 -4.78 113.70 109.19 1ngk s SER 126 Ca 0.00 0.05 0.28 0.00 0.70 0.00 0.00 55.95 56.97 1ngk s SER 126 Cb 0.00 0.31 0.99 0.00 -1.71 0.00 0.00 66.02 65.61 1ngk s SER 126 CO 0.00 -0.35 1.85 1.55 1.20 0.00 0.00 173.24 177.49 1ngk h PRO 127 N 4.40 0.00 0.00 5.44 0.13 -1.98 -3.32 132.00 136.67 1ngk h PRO 127 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ngk h PRO 127 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ngk h PRO 127 CO 0.39 0.10 0.00 1.97 -0.23 0.00 0.00 178.00 180.23