#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 3.07 0.47 -0.52 2.20 -1.26 -5.12 119.74 118.58 1ngk s LYS 3 Ca 0.00 -0.80 -0.22 0.00 -0.36 0.00 0.00 55.97 54.60 1ngk s LYS 3 Cb 0.00 -2.72 -0.08 0.00 -1.51 0.00 0.00 37.83 33.53 1ngk s LYS 3 CO 0.00 -0.23 1.09 -1.54 -0.36 0.00 0.00 175.35 174.31 1ngk s SER 4 N 1.34 6.27 0.23 1.43 1.04 -1.26 -4.92 113.70 117.83 1ngk s SER 4 Ca 0.05 2.09 -0.05 0.00 0.48 0.00 0.00 55.95 58.51 1ngk s SER 4 Cb -0.14 -2.58 0.40 0.00 0.10 0.00 0.00 66.02 63.81 1ngk s SER 4 CO -0.10 -0.84 1.75 0.15 0.98 0.00 0.00 173.24 175.18 1ngk h PHE 5 N 1.81 0.54 -0.35 5.02 3.57 -1.93 -0.95 116.94 124.66 1ngk h PHE 5 Ca -0.49 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.11 1ngk h PHE 5 Cb 1.23 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 1ngk h PHE 5 CO 0.55 0.12 -0.31 -0.92 -2.23 0.00 0.00 178.31 175.52 1ngk h TYR 6 N 0.49 -0.84 -0.66 0.41 3.20 -1.64 -1.23 116.97 116.70 1ngk h TYR 6 Ca 0.38 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.23 1ngk h TYR 6 Cb 0.52 0.42 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 1ngk h TYR 6 CO -0.15 -0.37 0.10 -0.44 -1.64 0.00 0.00 178.16 175.67 1ngk h ASP 7 N -0.26 1.05 -0.34 -2.11 3.32 -1.75 0.26 116.42 116.59 1ngk h ASP 7 Ca 0.16 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1ngk h ASP 7 Cb 0.52 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1ngk h ASP 7 CO -0.50 1.04 0.22 0.00 -1.72 0.00 0.00 179.24 178.28 1ngk h ALA 8 N 1.08 1.74 -0.51 3.45 0.00 -0.15 -2.32 119.26 122.56 1ngk h ALA 8 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ngk h ALA 8 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ngk h ALA 8 CO 0.01 0.23 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1ngk n VAL 9 N -4.48 0.67 0.00 0.00 0.24 -0.57 -4.85 118.33 109.34 1ngk n VAL 9 Ca 0.02 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1ngk n VAL 9 Cb 0.07 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 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 1.48 0.95 7.00 7.63 0.00 -0.87 -4.58 105.19 116.80 1ngk n GLY 10 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.90 1.76 0.29 -0.02 0.00 0.92 -3.58 105.19 102.66 1ngk n GLY 11 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.78 1.15 -0.57 4.61 0.00 -1.96 -2.22 119.26 119.50 1ngk h ALA 12 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ngk h ALA 12 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1ngk h ALA 12 CO 0.00 -0.12 0.34 -0.22 0.00 0.00 0.00 179.25 179.25 1ngk h LYS 13 N 0.57 0.65 -0.24 0.00 3.64 -1.97 0.52 116.57 119.74 1ngk h LYS 13 Ca 0.43 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1ngk h LYS 13 Cb 0.59 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1ngk h LYS 13 CO -0.36 0.43 0.06 1.15 -2.27 0.00 0.00 179.45 178.47 1ngk h THR 14 N 0.67 1.21 -0.18 1.00 2.02 -1.47 -1.14 112.91 115.02 1ngk h THR 14 Ca 0.23 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.63 1ngk h THR 14 Cb 0.04 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1ngk h THR 14 CO -0.11 0.22 -0.37 -0.26 0.37 0.00 0.00 175.52 175.37 1ngk h PHE 15 N 0.21 0.45 -0.35 3.16 0.04 -1.25 -1.08 116.94 118.12 1ngk h PHE 15 Ca 0.07 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1ngk h PHE 15 Cb 0.27 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1ngk h PHE 15 CO 0.01 0.71 0.16 0.22 -0.60 0.00 0.00 178.31 178.82 1ngk h ASP 16 N 0.33 0.46 -0.82 2.17 1.82 -0.81 -2.02 116.42 117.55 1ngk h ASP 16 Ca 0.04 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 1ngk h ASP 16 Cb 0.80 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.66 1ngk h ASP 16 CO 0.06 0.46 0.42 0.00 -1.61 0.00 0.00 179.24 178.58 1ngk h ALA 17 N 1.02 1.19 0.21 -0.78 0.00 -0.77 -1.17 119.26 118.96 1ngk h ALA 17 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ngk h ALA 17 Cb 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ngk h ALA 17 CO -0.01 0.63 -0.10 0.82 0.00 0.00 0.00 179.25 180.59 1ngk h ILE 18 N 1.16 0.88 -0.06 0.00 2.04 -1.14 -2.23 117.51 118.17 1ngk h ILE 18 Ca 0.29 -0.64 -0.13 0.00 1.00 0.00 0.00 64.86 65.38 1ngk h ILE 18 Cb 0.07 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1ngk h ILE 18 CO -0.04 0.14 -0.55 0.58 0.00 0.00 0.00 178.15 178.28 1ngk h VAL 19 N -0.60 1.37 -0.28 1.67 2.07 -1.34 0.04 116.25 119.18 1ngk h VAL 19 Ca -0.03 -1.86 -0.15 0.00 0.82 0.00 0.00 66.70 65.48 1ngk h VAL 19 Cb 0.44 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1ngk h VAL 19 CO 0.05 0.55 -0.41 0.77 0.02 0.00 0.00 177.57 178.54 1ngk h SER 20 N 0.13 0.85 0.06 0.57 4.64 -1.26 -2.13 113.55 116.41 1ngk h SER 20 Ca -0.00 -0.51 -0.16 0.00 -0.47 0.00 0.00 61.79 60.66 1ngk h SER 20 Cb 1.01 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1ngk h SER 20 CO 0.08 1.19 -0.54 0.03 -0.87 0.00 0.00 176.83 176.73 1ngk h ARG 21 N 0.53 0.52 -0.01 4.77 3.08 -1.26 -2.45 114.38 119.56 1ngk h ARG 21 Ca 0.03 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.78 1ngk h ARG 21 Cb 1.00 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1ngk h ARG 21 CO 0.09 0.92 -0.10 0.35 -1.07 0.00 0.00 179.97 180.17 1ngk h PHE 22 N 0.40 -0.25 -0.03 3.04 3.57 -0.94 -1.33 116.94 121.39 1ngk h PHE 22 Ca 0.01 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1ngk h PHE 22 Cb 1.07 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1ngk h PHE 22 CO 0.04 -0.15 -0.31 1.88 -2.23 0.00 0.00 178.31 177.53 1ngk h TYR 23 N -0.17 0.06 -0.47 0.41 0.05 -1.34 0.12 116.97 115.63 1ngk h TYR 23 Ca 0.04 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 1ngk h TYR 23 Cb 0.22 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1ngk h TYR 23 CO -0.17 0.36 -0.06 0.00 -1.05 0.00 0.00 178.16 177.24 1ngk h ALA 24 N 1.64 1.01 -0.42 3.88 0.00 -1.19 -2.26 119.26 121.92 1ngk h ALA 24 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1ngk h ALA 24 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ngk h ALA 24 CO 0.04 0.60 0.09 1.96 0.00 0.00 0.00 179.25 181.94 1ngk h GLN 25 N 0.75 0.68 -0.96 0.00 1.08 -0.19 -3.06 115.11 113.42 1ngk h GLN 25 Ca 0.13 -0.17 0.20 0.00 -1.45 0.00 0.00 58.65 57.36 1ngk h GLN 25 Cb 0.54 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.80 1ngk h GLN 25 CO 0.03 0.70 0.61 0.28 -0.95 0.00 0.00 178.83 179.51 1ngk h VAL 26 N 0.54 0.69 0.00 -0.54 2.07 -0.48 -0.94 116.25 117.60 1ngk h VAL 26 Ca 0.13 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1ngk h VAL 26 Cb 0.34 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1ngk h VAL 26 CO 0.00 0.11 -0.45 0.00 0.02 0.00 0.00 177.57 177.24 1ngk h ALA 27 N 1.62 1.03 -0.35 1.67 0.00 -1.31 -2.80 119.26 119.12 1ngk h ALA 27 Ca 0.52 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ngk h ALA 27 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ngk h ALA 27 CO -0.27 0.57 0.00 0.39 0.00 0.00 0.00 179.25 179.94 1ngk n GLU 28 N -3.68 2.28 -3.32 0.00 1.02 -0.43 -4.83 120.64 111.68 1ngk n GLU 28 Ca -0.01 -1.94 -0.40 0.00 -0.02 0.00 0.00 57.16 54.79 1ngk n GLU 28 Cb 0.53 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.46 6.32 0.47 1.62 2.15 -0.77 -4.95 116.67 120.05 1ngk s ASP 29 Ca 0.37 0.32 0.16 0.00 0.43 0.00 0.00 52.55 53.83 1ngk s ASP 29 Cb 0.21 -2.24 1.14 0.00 -0.30 0.00 0.00 42.92 41.74 1ngk s ASP 29 CO 0.30 -0.25 2.01 -0.33 -0.17 0.00 0.00 175.17 176.73 1ngk h GLU 30 N 8.16 0.25 0.00 4.34 5.08 -1.90 -1.76 114.58 128.74 1ngk h GLU 30 Ca -0.30 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1ngk h GLU 30 Cb 1.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1ngk h GLU 30 CO 0.68 0.16 -0.42 0.28 -1.00 0.00 0.00 179.01 178.71 1ngk h VAL 31 N 0.26 1.22 0.02 3.13 2.07 -1.93 -3.42 116.25 117.60 1ngk h VAL 31 Ca 0.22 -2.07 -0.23 0.00 0.82 0.00 0.00 66.70 65.44 1ngk h VAL 31 Cb 0.53 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1ngk h VAL 31 CO -0.04 0.41 -1.13 -0.07 0.02 0.00 0.00 177.57 176.76 1ngk h LEU 32 N -1.00 0.05 -2.53 2.57 3.38 -1.78 -3.19 115.31 112.81 1ngk h LEU 32 Ca -0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ngk h LEU 32 Cb 0.96 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ngk h LEU 32 CO -0.07 1.05 0.12 0.08 0.09 0.00 0.00 178.44 179.71 1ngk h ARG 33 N 0.01 0.00 0.00 1.13 0.11 -1.20 0.16 114.38 114.60 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 1.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.91 1ngk h ARG 33 CO 0.13 0.00 -0.75 -2.13 0.10 0.00 0.00 179.97 177.32 1ngk n ARG 34 N -2.95 0.19 -0.06 0.08 3.00 -1.21 -4.33 116.66 111.39 1ngk n ARG 34 Ca -0.03 0.02 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 1ngk n ARG 34 Cb 0.18 -1.59 -0.13 0.00 0.00 0.00 0.00 32.46 30.93 1ngk n ARG 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ngk n VAL 35 N -1.84 1.65 -2.41 5.15 0.31 0.55 -4.87 118.33 116.88 1ngk n VAL 35 Ca 0.03 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.44 1ngk n VAL 35 Cb 0.40 -1.74 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 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 -2.51 2.82 -0.48 3.52 1.51 -1.05 -4.94 117.35 116.22 1ngk s TYR 36 Ca -0.28 0.98 -0.44 0.00 -1.01 0.00 0.00 57.07 56.32 1ngk s TYR 36 Cb 0.08 -3.52 -0.19 0.00 -0.11 0.00 0.00 41.96 38.22 1ngk s TYR 36 CO 0.68 -1.79 1.94 -2.30 -1.11 0.00 0.00 175.55 172.97 1ngk n PRO 37 N 6.58 0.12 0.09 -1.71 -0.02 -1.26 -4.80 135.00 134.00 1ngk n PRO 37 Ca 0.14 0.04 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 1ngk n PRO 37 Cb 0.45 -1.59 0.43 0.00 -0.02 0.00 0.00 33.50 32.77 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 6.25 0.13 -0.53 -0.52 -0.00 -1.26 -2.57 120.64 122.15 1ngk n GLU 38 Ca 0.45 0.36 0.09 0.00 -0.00 0.00 0.00 57.16 58.05 1ngk n GLU 38 Cb -0.02 -1.75 0.32 0.00 -0.00 0.00 0.00 31.44 29.98 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 -2.00 4.20 -0.59 -1.84 3.85 -1.26 -4.42 116.55 114.49 1ngk n ASP 39 Ca 0.03 -2.35 -0.00 0.00 -0.71 0.00 0.00 54.79 51.76 1ngk n ASP 39 Cb 0.22 -0.53 -0.00 0.00 -1.35 0.00 0.00 41.12 39.45 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 1.04 0.02 0.15 -1.12 2.03 -1.06 -4.94 116.55 112.67 1ngk n ASP 40 Ca 0.23 -1.64 0.02 0.00 0.52 0.00 0.00 54.79 53.92 1ngk n ASP 40 Cb 0.78 -0.11 0.38 0.00 -0.72 0.00 0.00 41.12 41.44 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 0.06 0.15 -0.17 -2.67 3.38 -1.77 -1.66 115.31 112.63 1ngk h LEU 41 Ca -0.04 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1ngk h LEU 41 Cb 1.29 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ngk h LEU 41 CO -0.01 0.38 -0.24 0.00 0.09 0.00 0.00 178.44 178.66 1ngk h ALA 42 N 1.63 0.25 -0.24 1.53 0.00 -1.95 -1.43 119.26 119.06 1ngk h ALA 42 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1ngk h ALA 42 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ngk h ALA 42 CO 0.03 0.23 -0.13 0.78 0.00 0.00 0.00 179.25 180.16 1ngk h GLY 43 N 0.09 0.43 0.79 0.00 0.00 -1.92 -1.76 103.07 100.71 1ngk h GLY 43 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1ngk h GLY 43 CO 0.06 0.27 0.01 0.00 0.00 0.00 0.00 176.54 176.88 1ngk h ALA 44 N 1.49 0.18 -0.35 3.60 0.00 -1.26 -2.09 119.26 120.84 1ngk h ALA 44 Ca 0.07 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ngk h ALA 44 Cb 0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ngk h ALA 44 CO 0.03 -0.14 0.19 1.49 0.00 0.00 0.00 179.25 180.81 1ngk h GLU 45 N -0.01 0.37 -0.75 0.00 4.81 -1.05 -2.44 114.58 115.52 1ngk h GLU 45 Ca 0.04 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1ngk h GLU 45 Cb 0.33 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1ngk h GLU 45 CO 0.00 0.25 0.40 1.49 -0.73 0.00 0.00 179.01 180.42 1ngk h GLU 46 N 0.38 1.05 -0.45 1.92 4.81 -1.29 -1.19 114.58 119.82 1ngk h GLU 46 Ca 0.14 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 1ngk h GLU 46 Cb 0.03 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1ngk h GLU 46 CO -0.08 0.79 -0.23 0.00 -0.73 0.00 0.00 179.01 178.76 1ngk h ARG 47 N 1.04 0.91 -0.56 1.92 3.08 -1.16 -0.19 114.38 119.42 1ngk h ARG 47 Ca 0.26 -0.39 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 1ngk h ARG 47 Cb 0.05 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1ngk h ARG 47 CO -0.04 1.04 -0.04 1.25 -1.07 0.00 0.00 179.97 181.11 1ngk h LEU 48 N 0.79 1.00 0.10 3.04 5.85 -1.30 -0.45 115.31 124.35 1ngk h LEU 48 Ca 0.10 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1ngk h LEU 48 Cb 0.78 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1ngk h LEU 48 CO 0.06 1.09 -0.10 -0.09 -0.34 0.00 0.00 178.44 179.07 1ngk h ARG 49 N 0.90 -0.21 -0.66 1.25 2.43 -1.03 -1.04 114.38 116.02 1ngk h ARG 49 Ca 0.15 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1ngk h ARG 49 Cb 0.59 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1ngk h ARG 49 CO 0.04 -0.14 0.43 0.52 -1.51 0.00 0.00 179.97 179.30 1ngk h MET 50 N -0.22 0.83 -0.31 0.20 2.86 -0.89 -0.51 114.93 116.89 1ngk h MET 50 Ca 0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ngk h MET 50 Cb 0.21 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1ngk h MET 50 CO -0.02 0.55 0.18 0.35 1.06 0.00 0.00 176.91 179.03 1ngk h PHE 51 N 0.86 0.42 -0.50 -0.22 3.57 -0.94 -1.81 116.94 118.31 1ngk h PHE 51 Ca 0.25 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1ngk h PHE 51 Cb -0.05 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1ngk h PHE 51 CO -0.04 0.31 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.20 1ngk h LEU 52 N 0.40 0.89 -0.44 0.59 3.38 -0.82 0.13 115.31 119.43 1ngk h LEU 52 Ca 0.11 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1ngk h LEU 52 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1ngk h LEU 52 CO -0.02 1.00 0.24 -0.33 0.09 0.00 0.00 178.44 179.41 1ngk h GLU 53 N 0.81 0.46 0.22 1.13 5.08 -0.97 -2.65 114.58 118.67 1ngk h GLU 53 Ca 0.14 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1ngk h GLU 53 Cb 0.60 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ngk h GLU 53 CO 0.04 0.31 -0.11 0.37 -1.00 0.00 0.00 179.01 178.62 1ngk h GLN 54 N 0.48 -0.29 -0.83 2.33 4.15 -0.86 0.41 115.11 120.49 1ngk h GLN 54 Ca 0.18 0.02 0.20 0.00 0.77 0.00 0.00 58.65 59.82 1ngk h GLN 54 Cb 0.06 0.07 -0.12 0.00 0.21 0.00 0.00 27.48 27.69 1ngk h GLN 54 CO -0.11 -0.01 0.28 -0.92 -1.93 0.00 0.00 178.83 176.14 1ngk h TYR 55 N -0.56 0.45 -0.24 3.99 5.03 -0.73 -1.05 116.97 123.86 1ngk h TYR 55 Ca -0.03 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1ngk h TYR 55 Cb 0.41 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1ngk h TYR 55 CO 0.01 -0.09 0.00 0.91 -1.32 0.00 0.00 178.16 177.67 1ngk n TRP 56 N -5.12 0.32 0.00 -3.82 7.02 -1.00 -4.89 117.44 109.95 1ngk n TRP 56 Ca 0.19 -0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1ngk n TRP 56 Cb 0.58 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.47 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 1.00 1.03 0.00 6.99 0.00 -0.40 -1.67 105.19 112.14 1ngk n GLY 57 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.93 1.01 3.71 -0.02 0.00 0.14 -4.82 105.19 103.28 1ngk n GLY 58 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 2.15 -0.64 1.61 -0.02 -1.26 -4.60 135.00 132.24 1ngk n PRO 59 Ca 0.00 0.76 -0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1ngk n PRO 59 Cb 0.00 -2.42 0.23 0.00 -0.02 0.00 0.00 33.50 31.29 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 0.31 3.12 -0.36 -0.52 1.74 -1.26 -3.40 116.66 116.28 1ngk n ARG 60 Ca 0.05 -2.03 0.04 0.00 -0.77 0.00 0.00 57.85 55.14 1ngk n ARG 60 Cb 0.38 -1.94 0.19 0.00 -1.02 0.00 0.00 32.46 30.07 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 2.12 1.03 -0.38 0.55 2.02 -1.90 -2.71 112.91 113.64 1ngk h THR 61 Ca 0.10 -0.38 0.08 0.00 0.77 0.00 0.00 66.41 66.99 1ngk h THR 61 Cb 1.65 -0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.81 1ngk h THR 61 CO 0.42 0.20 -0.28 0.22 0.37 0.00 0.00 175.52 176.45 1ngk h TYR 62 N 1.10 -0.76 -0.93 3.16 3.20 -1.79 -0.91 116.97 120.03 1ngk h TYR 62 Ca 0.44 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 1ngk h TYR 62 Cb 0.26 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 1ngk h TYR 62 CO -0.01 -0.35 0.57 0.66 -1.64 0.00 0.00 178.16 177.39 1ngk h SER 63 N -0.22 1.11 -0.55 -2.11 4.64 -1.67 0.17 113.55 114.91 1ngk h SER 63 Ca 0.18 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1ngk h SER 63 Cb 0.51 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1ngk h SER 63 CO -0.51 0.85 0.29 -0.33 -0.87 0.00 0.00 176.83 176.26 1ngk h GLU 64 N 1.28 0.78 0.11 4.77 5.08 -1.26 0.04 114.58 125.38 1ngk h GLU 64 Ca 0.34 -0.10 -0.30 0.00 -1.00 0.00 0.00 59.36 58.30 1ngk h GLU 64 Cb -0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1ngk h GLU 64 CO -0.06 0.62 -1.48 1.96 -1.00 0.00 0.00 179.01 179.05 1ngk h GLN 65 N 0.74 0.23 -0.00 2.33 1.08 -0.70 -3.40 115.11 115.39 1ngk h GLN 65 Ca 0.19 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1ngk h GLN 65 Cb 0.08 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1ngk h GLN 65 CO -0.03 1.10 -0.12 0.54 -0.95 0.00 0.00 178.83 179.37 1ngk n ARG 66 N -3.44 6.16 0.00 1.46 5.12 0.54 -5.10 116.66 121.39 1ngk n ARG 66 Ca -0.15 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1ngk n ARG 66 Cb 1.04 -0.62 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 1ngk n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ngk n GLY 67 N 1.06 -1.42 3.59 -0.13 0.00 -0.00 -4.82 105.19 103.47 1ngk n GLY 67 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.19 1.04 -0.27 1.61 8.25 -1.26 -4.33 115.22 120.07 1ngk n HIS 68 Ca 0.00 0.58 0.01 0.00 -0.26 0.00 0.00 57.72 58.05 1ngk n HIS 68 Cb 0.00 -2.21 0.13 0.00 1.12 0.00 0.00 29.99 29.03 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 1.54 0.75 -6.88 -0.41 0.11 -1.96 -3.46 132.00 121.69 1ngk h PRO 69 Ca -0.43 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 1ngk h PRO 69 Cb 1.34 -0.17 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1ngk h PRO 69 CO 0.57 0.50 -0.93 0.54 -0.21 0.00 0.00 178.00 178.47 1ngk n ARG 70 N -4.74 -1.83 -0.18 1.05 1.74 -1.26 -4.74 116.66 106.70 1ngk n ARG 70 Ca 0.11 0.21 0.01 0.00 -0.77 0.00 0.00 57.85 57.41 1ngk n ARG 70 Cb 0.22 -4.03 0.26 0.00 -1.02 0.00 0.00 32.46 27.89 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 -1.74 0.81 -0.15 0.55 3.38 -1.98 -0.83 115.31 115.35 1ngk h LEU 71 Ca -0.64 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.33 1ngk h LEU 71 Cb 1.39 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1ngk h LEU 71 CO 0.69 0.61 -0.09 -0.09 0.09 0.00 0.00 178.44 179.65 1ngk h ARG 72 N 0.94 -0.09 -0.02 1.13 2.43 -1.94 -0.41 114.38 116.42 1ngk h ARG 72 Ca 0.25 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 1ngk h ARG 72 Cb -0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1ngk h ARG 72 CO -0.05 -0.06 -0.53 0.52 -1.51 0.00 0.00 179.97 178.34 1ngk h MET 73 N -0.09 0.06 0.00 0.20 2.86 -1.76 -1.82 114.93 114.38 1ngk h MET 73 Ca 0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1ngk h MET 73 Cb 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1ngk h MET 73 CO -0.20 0.58 -0.12 0.00 1.06 0.00 0.00 176.91 178.23 1ngk h ARG 74 N 0.05 0.00 -0.02 1.72 3.08 -0.78 -2.96 114.38 115.47 1ngk h ARG 74 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ngk h ARG 74 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1ngk h ARG 74 CO 0.07 0.12 -0.22 0.72 -1.07 0.00 0.00 179.97 179.59 1ngk n HIS 75 N -3.24 0.00 -0.17 3.04 8.25 -0.20 -4.47 115.22 118.44 1ngk n HIS 75 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.54 1ngk n HIS 75 Cb 0.39 -0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.88 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 4.32 1.75 0.00 -1.41 0.00 -1.16 -1.20 119.26 121.56 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 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ngk h ALA 76 CO 0.00 0.13 0.00 -2.30 0.00 0.00 0.00 179.25 177.08 1ngk n PRO 77 N -4.48 0.06 -4.87 0.00 -0.02 -1.26 -4.72 135.00 119.71 1ngk n PRO 77 Ca 0.11 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 1ngk n PRO 77 Cb 0.25 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 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 -3.21 2.41 -0.77 6.00 0.40 -0.45 -5.07 117.98 117.29 1ngk s PHE 78 Ca 0.00 -0.36 -0.22 0.00 -0.60 0.00 0.00 56.93 55.76 1ngk s PHE 78 Cb 0.04 -1.43 0.08 0.00 0.51 0.00 0.00 43.02 42.22 1ngk s PHE 78 CO 0.13 0.15 1.07 1.03 0.70 0.00 0.00 175.22 178.30 1ngk s ARG 79 N -1.22 3.28 -0.48 0.44 0.52 -1.26 -4.90 118.95 115.33 1ngk s ARG 79 Ca 0.12 -1.07 -0.14 0.00 -0.52 0.00 0.00 55.73 54.13 1ngk s ARG 79 Cb -0.10 -4.50 0.09 0.00 0.52 0.00 0.00 34.95 30.96 1ngk s ARG 79 CO 0.03 -1.86 0.39 0.42 0.02 0.00 0.00 175.30 174.30 1ngk s ILE 80 N 3.88 4.94 0.46 1.52 1.01 -1.26 -4.91 121.20 126.84 1ngk s ILE 80 Ca 0.28 -1.29 0.07 0.00 0.00 0.00 0.00 60.65 59.71 1ngk s ILE 80 Cb -0.12 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.39 1ngk s ILE 80 CO 0.04 -0.65 0.62 -1.54 0.00 0.00 0.00 174.94 173.41 1ngk n SER 81 N 5.13 1.75 0.09 3.58 3.41 -1.25 -0.11 113.62 126.21 1ngk n SER 81 Ca -0.12 -2.26 0.18 0.00 -0.26 0.00 0.00 58.87 56.41 1ngk n SER 81 Cb 0.42 -0.32 0.72 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.00 -0.08 1.04 4.07 -1.88 -0.13 115.31 118.33 1ngk h LEU 82 Ca -0.22 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 1ngk h LEU 82 Cb 1.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 1ngk h LEU 82 CO 0.32 0.00 0.02 0.40 -1.08 0.00 0.00 178.44 178.10 1ngk h ILE 83 N 0.00 1.21 -0.45 1.22 1.08 -1.95 0.48 117.51 119.09 1ngk h ILE 83 Ca 0.17 -0.64 -0.10 0.00 -0.39 0.00 0.00 64.86 63.91 1ngk h ILE 83 Cb 0.76 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1ngk h ILE 83 CO -0.00 0.18 -0.12 -0.33 -0.69 0.00 0.00 178.15 177.19 1ngk h GLU 84 N -0.10 0.88 -0.10 2.37 3.07 -1.74 -1.91 114.58 117.06 1ngk h GLU 84 Ca 0.02 -0.34 0.04 0.00 -0.50 0.00 0.00 59.36 58.58 1ngk h GLU 84 Cb 0.27 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.09 1ngk h GLU 84 CO 0.00 0.98 -0.17 -0.09 -1.40 0.00 0.00 179.01 178.33 1ngk h ARG 85 N 0.72 -0.22 -0.49 2.33 2.43 -0.94 0.37 114.38 118.58 1ngk h ARG 85 Ca 0.11 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1ngk h ARG 85 Cb 0.66 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1ngk h ARG 85 CO 0.05 -0.15 0.27 -0.44 -1.51 0.00 0.00 179.97 178.19 1ngk h ASP 86 N -0.23 0.61 -0.43 -3.80 3.32 -0.88 -1.37 116.42 113.64 1ngk h ASP 86 Ca 0.09 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ngk h ASP 86 Cb 0.35 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1ngk h ASP 86 CO -0.23 0.52 0.23 0.00 -1.72 0.00 0.00 179.24 178.04 1ngk h ALA 87 N 1.11 0.55 -0.71 3.45 0.00 -1.22 -0.80 119.26 121.63 1ngk h ALA 87 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1ngk h ALA 87 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1ngk h ALA 87 CO -0.03 0.08 0.42 2.35 0.00 0.00 0.00 179.25 182.07 1ngk h TRP 88 N 0.56 0.77 -0.09 0.00 7.01 -0.60 -2.51 115.95 121.08 1ngk h TRP 88 Ca 0.15 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 61.01 1ngk h TRP 88 Cb 0.07 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 1ngk h TRP 88 CO -0.02 0.38 -0.64 -0.07 -2.79 0.00 0.00 178.44 175.30 1ngk h LEU 89 N 0.77 0.41 0.20 0.65 3.38 -1.05 -1.83 115.31 117.84 1ngk h LEU 89 Ca 0.31 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ngk h LEU 89 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ngk h LEU 89 CO -0.17 0.94 -0.17 -0.09 0.09 0.00 0.00 178.44 179.04 1ngk h ARG 90 N 0.26 -0.37 -0.47 1.13 2.43 -0.85 0.30 114.38 116.81 1ngk h ARG 90 Ca -0.01 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1ngk h ARG 90 Cb 1.18 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1ngk h ARG 90 CO 0.11 -0.25 0.29 0.00 -1.51 0.00 0.00 179.97 178.61 1ngk h MET 92 N 0.58 0.79 -0.74 0.00 1.85 -1.18 -1.35 114.93 114.88 1ngk h MET 92 Ca 0.19 -0.33 -0.03 0.00 -0.61 0.00 0.00 59.70 58.91 1ngk h MET 92 Cb -0.00 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 31.97 1ngk h MET 92 CO -0.08 0.96 0.32 0.45 -0.40 0.00 0.00 176.91 178.16 1ngk h HIS 93 N 0.68 1.08 -0.16 1.39 -0.00 -0.16 0.59 115.15 118.56 1ngk h HIS 93 Ca 0.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1ngk h HIS 93 Cb 0.77 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 1ngk h HIS 93 CO 0.04 0.80 0.07 1.15 -0.00 0.00 0.00 177.93 179.99 1ngk h THR 94 N 1.06 1.14 -0.50 2.45 2.02 -1.01 -0.60 112.91 117.47 1ngk h THR 94 Ca 0.25 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1ngk h THR 94 Cb 0.15 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1ngk h THR 94 CO -0.03 0.14 0.31 0.00 0.37 0.00 0.00 175.52 176.31 1ngk h ALA 95 N 0.92 0.64 -0.47 6.16 0.00 -0.89 -2.54 119.26 123.07 1ngk h ALA 95 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1ngk h ALA 95 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ngk h ALA 95 CO -0.01 0.03 -0.17 0.28 0.00 0.00 0.00 179.25 179.39 1ngk h VAL 96 N 0.63 1.27 0.00 0.00 2.07 -0.84 -2.86 116.25 116.52 1ngk h VAL 96 Ca 0.19 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1ngk h VAL 96 Cb -0.02 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1ngk h VAL 96 CO -0.07 0.45 -0.02 0.00 0.02 0.00 0.00 177.57 177.95 1ngk h ALA 97 N 1.00 1.12 0.00 1.67 0.00 -0.82 -2.20 119.26 120.02 1ngk h ALA 97 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 97 Cb 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ngk h ALA 97 CO 0.05 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 1ngk n SER 98 N -3.28 0.48 -4.73 0.00 3.41 -0.98 -4.73 113.62 103.78 1ngk n SER 98 Ca -0.02 0.56 -0.40 0.00 -0.26 0.00 0.00 58.87 58.75 1ngk n SER 98 Cb 0.15 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 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 4.89 0.82 -1.33 -1.09 -0.83 -5.05 121.20 115.53 1ngk s ILE 99 Ca 0.11 1.51 -0.11 0.00 -2.23 0.00 0.00 60.65 59.93 1ngk s ILE 99 Cb 0.14 -4.06 0.09 0.00 -1.58 0.00 0.00 42.46 37.04 1ngk s ILE 99 CO 0.53 0.32 1.09 1.51 -1.23 0.00 0.00 174.94 177.16 1ngk s ASP 100 N 0.31 4.12 0.53 3.58 1.47 -1.26 -4.84 116.67 120.57 1ngk s ASP 100 Ca 0.37 1.61 0.32 0.00 1.18 0.00 0.00 52.55 56.04 1ngk s ASP 100 Cb -0.19 -2.32 1.23 0.00 -0.34 0.00 0.00 42.92 41.31 1ngk s ASP 100 CO 0.20 -2.25 1.93 0.77 0.68 0.00 0.00 175.17 176.51 1ngk h SER 101 N -1.28 0.00 0.06 2.11 4.64 -1.96 -1.96 113.55 115.15 1ngk h SER 101 Ca -0.46 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.60 1ngk h SER 101 Cb 1.26 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1ngk h SER 101 CO 0.54 0.00 -0.98 -0.33 -0.87 0.00 0.00 176.83 175.19 1ngk h GLU 102 N 0.00 0.65 -0.01 4.77 3.07 -1.98 -2.96 114.58 118.13 1ngk h GLU 102 Ca 0.00 -0.67 -0.01 0.00 -0.50 0.00 0.00 59.36 58.18 1ngk h GLU 102 Cb 0.57 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1ngk h GLU 102 CO 0.00 1.27 -0.04 1.15 -1.40 0.00 0.00 179.01 179.99 1ngk h THR 103 N 0.38 1.53 -3.49 1.13 2.02 -1.89 -3.41 112.91 109.18 1ngk h THR 103 Ca -0.11 -1.60 -0.67 0.00 0.77 0.00 0.00 66.41 64.81 1ngk h THR 103 Cb 1.62 2.58 -0.38 0.00 -1.74 0.00 0.00 68.15 70.24 1ngk h THR 103 CO 0.19 0.42 -0.53 -0.22 0.37 0.00 0.00 175.52 175.75 1ngk s LEU 104 N -8.85 4.80 0.97 2.58 0.20 -0.75 -4.36 118.68 113.28 1ngk s LEU 104 Ca -0.17 -2.77 -0.13 0.00 0.69 0.00 0.00 54.13 51.75 1ngk s LEU 104 Cb 0.00 -1.74 0.17 0.00 -0.43 0.00 0.00 46.19 44.20 1ngk s LEU 104 CO 0.69 -0.33 1.13 1.51 -0.29 0.00 0.00 176.35 179.06 1ngk s ASP 105 N 0.40 2.95 0.25 3.68 1.47 -1.12 -4.26 116.67 120.04 1ngk s ASP 105 Ca 0.16 0.98 -0.04 0.00 1.18 0.00 0.00 52.55 54.82 1ngk s ASP 105 Cb -0.23 -1.54 0.38 0.00 -0.34 0.00 0.00 42.92 41.20 1ngk s ASP 105 CO -0.03 -2.90 1.85 0.44 0.68 0.00 0.00 175.17 175.21 1ngk h ASP 106 N -1.74 0.86 0.12 2.11 3.32 -1.98 -0.16 116.42 118.95 1ngk h ASP 106 Ca -0.51 0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.33 1ngk h ASP 106 Cb 1.33 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.73 1ngk h ASP 106 CO 0.58 0.53 -0.92 1.05 -1.72 0.00 0.00 179.24 178.76 1ngk h GLU 107 N 0.98 0.58 -0.49 3.56 4.11 -1.99 -0.96 114.58 120.38 1ngk h GLU 107 Ca 0.40 -0.57 -0.12 0.00 0.07 0.00 0.00 59.36 59.14 1ngk h GLU 107 Cb 0.24 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ngk h GLU 107 CO -0.20 1.19 -0.15 0.45 0.07 0.00 0.00 179.01 180.37 1ngk h HIS 108 N 0.35 1.05 -0.15 2.06 3.86 -1.88 -1.53 115.15 118.92 1ngk h HIS 108 Ca -0.09 -0.23 0.02 0.00 -1.16 0.00 0.00 60.37 58.92 1ngk h HIS 108 Cb 1.55 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.75 1ngk h HIS 108 CO 0.08 1.01 0.02 -0.09 0.86 0.00 0.00 177.93 179.81 1ngk h ARG 109 N 0.83 0.08 -0.61 2.45 2.43 -0.96 0.34 114.38 118.94 1ngk h ARG 109 Ca 0.12 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1ngk h ARG 109 Cb 0.70 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1ngk h ARG 109 CO 0.05 0.05 0.35 0.00 -1.51 0.00 0.00 179.97 178.91 1ngk h ARG 110 N 0.08 0.85 -0.29 0.20 2.47 -1.10 -0.94 114.38 115.65 1ngk h ARG 110 Ca 0.07 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1ngk h ARG 110 Cb 0.06 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1ngk h ARG 110 CO -0.10 0.63 0.11 1.49 0.56 0.00 0.00 179.97 182.67 1ngk h GLU 111 N 0.83 0.43 -0.15 0.04 4.81 -1.08 -0.02 114.58 119.45 1ngk h GLU 111 Ca 0.22 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1ngk h GLU 111 Cb 0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ngk h GLU 111 CO -0.04 0.45 0.05 1.25 -0.73 0.00 0.00 179.01 180.00 1ngk h LEU 112 N 0.32 0.06 -0.88 1.64 5.85 -0.78 -2.12 115.31 119.40 1ngk h LEU 112 Ca 0.10 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1ngk h LEU 112 Cb 0.18 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1ngk h LEU 112 CO -0.01 0.06 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.83 1ngk h LEU 113 N 0.12 0.55 -0.65 2.25 4.07 -1.10 -2.08 115.31 118.47 1ngk h LEU 113 Ca 0.06 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.79 1ngk h LEU 113 Cb 0.03 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 1ngk h LEU 113 CO -0.06 0.79 0.27 0.44 -1.08 0.00 0.00 178.44 178.80 1ngk h ASP 114 N 0.48 0.90 -0.25 -0.43 3.32 -0.80 -1.75 116.42 117.90 1ngk h ASP 114 Ca 0.07 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1ngk h ASP 114 Cb 0.69 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1ngk h ASP 114 CO 0.05 0.82 0.09 0.22 -1.72 0.00 0.00 179.24 178.70 1ngk h TYR 115 N 0.92 0.39 -0.59 4.55 5.03 -1.14 -1.94 116.97 124.18 1ngk h TYR 115 Ca 0.22 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.46 1ngk h TYR 115 Cb 0.20 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 1ngk h TYR 115 CO 0.01 0.42 0.21 -0.07 -1.32 0.00 0.00 178.16 177.41 1ngk h LEU 116 N 0.25 0.84 -0.07 2.82 3.38 -1.24 0.22 115.31 121.51 1ngk h LEU 116 Ca 0.08 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ngk h LEU 116 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ngk h LEU 116 CO -0.01 0.80 0.02 -0.08 0.09 0.00 0.00 178.44 179.27 1ngk h GLU 117 N 0.83 0.05 -0.28 1.13 4.57 -1.33 0.17 114.58 119.73 1ngk h GLU 117 Ca 0.19 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1ngk h GLU 117 Cb 0.24 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1ngk h GLU 117 CO -0.01 0.04 0.15 1.98 -1.18 0.00 0.00 179.01 179.99 1ngk h MET 118 N 0.05 0.38 -0.50 1.92 4.05 -1.05 -1.85 114.93 117.93 1ngk h MET 118 Ca 0.03 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1ngk h MET 118 Cb 0.02 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 1ngk h MET 118 CO -0.04 0.33 0.20 0.00 0.23 0.00 0.00 176.91 177.63 1ngk h ALA 119 N 1.03 0.65 -0.24 0.39 0.00 -0.43 -1.17 119.26 119.49 1ngk h ALA 119 Ca 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ngk h ALA 119 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ngk h ALA 119 CO -0.02 0.26 0.13 0.00 0.00 0.00 0.00 179.25 179.63 1ngk h ALA 120 N 1.05 0.30 -0.31 0.00 0.00 -0.57 -2.07 119.26 117.65 1ngk h ALA 120 Ca 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ngk h ALA 120 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ngk h ALA 120 CO -0.01 -0.26 0.17 1.25 0.00 0.00 0.00 179.25 180.40 1ngk h HIS 121 N 0.28 0.40 0.00 0.00 6.17 -1.04 -2.12 115.15 118.85 1ngk h HIS 121 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1ngk h HIS 121 Cb 0.00 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.80 1ngk h HIS 121 CO -0.08 0.28 0.00 0.66 0.71 0.00 0.00 177.93 179.50 1ngk h SER 122 N 0.42 0.00 -0.03 3.26 4.64 -0.51 -2.92 113.55 118.42 1ngk h SER 122 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ngk h SER 122 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ngk h SER 122 CO -0.02 0.00 -0.02 0.18 -0.87 0.00 0.00 176.83 176.10 1ngk n LEU 123 N -2.83 2.81 -4.69 5.97 4.77 -0.80 -4.93 117.00 117.30 1ngk n LEU 123 Ca 0.01 -0.94 -0.42 0.00 -0.03 0.00 0.00 56.01 54.62 1ngk n LEU 123 Cb 0.26 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1ngk n LEU 123 CO 0.24 0.47 1.48 0.52 -1.33 0.00 0.00 177.39 178.77 1ngk n VAL 124 N 1.18 0.37 -0.78 4.08 0.31 -1.10 -4.79 118.33 117.60 1ngk n VAL 124 Ca 0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1ngk n VAL 124 Cb 0.57 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1ngk n VAL 124 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ngk n ASN 125 N 5.67 0.41 -3.75 4.52 0.23 0.84 -5.01 115.26 118.16 1ngk n ASN 125 Ca 0.18 -1.19 -0.13 0.00 -0.53 0.00 0.00 54.58 52.91 1ngk n ASN 125 Cb 0.37 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.19 -0.25 0.39 0.53 0.15 -0.72 -4.80 113.70 108.81 1ngk s SER 126 Ca 0.00 0.23 0.28 0.00 0.70 0.00 0.00 55.95 57.16 1ngk s SER 126 Cb 0.00 0.40 0.99 0.00 -1.71 0.00 0.00 66.02 65.70 1ngk s SER 126 CO 0.00 -0.40 1.81 1.55 1.20 0.00 0.00 173.24 177.40 1ngk h PRO 127 N 4.13 0.00 0.00 5.44 0.13 -1.98 -3.33 132.00 136.39 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ngk h PRO 127 CO 0.38 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.12