#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk s SER 4 N 0.00 5.03 0.17 3.14 1.04 -1.26 -4.82 113.70 117.00 1ngk s SER 4 Ca 0.00 2.00 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 1ngk s SER 4 Cb 0.00 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.67 1ngk s SER 4 CO 0.00 -1.68 1.66 0.15 0.98 0.00 0.00 173.24 174.35 1ngk h PHE 5 N -0.06 -0.24 -0.57 5.02 3.57 -1.93 0.91 116.94 123.65 1ngk h PHE 5 Ca -0.47 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.17 1ngk h PHE 5 Cb 1.25 0.17 -0.11 0.00 2.79 0.00 0.00 35.95 40.05 1ngk h PHE 5 CO 0.54 -0.19 -0.35 -0.92 -2.23 0.00 0.00 178.31 175.17 1ngk h TYR 6 N -0.01 -0.97 -0.38 0.41 3.20 -1.56 -1.11 116.97 116.54 1ngk h TYR 6 Ca 0.20 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1ngk h TYR 6 Cb 0.31 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1ngk h TYR 6 CO -0.37 -0.39 0.05 -0.44 -1.64 0.00 0.00 178.16 175.37 1ngk h ASP 7 N -0.18 0.61 -0.47 -2.11 3.32 -1.73 0.39 116.42 116.25 1ngk h ASP 7 Ca 0.22 -0.27 0.13 0.00 0.02 0.00 0.00 57.03 57.12 1ngk h ASP 7 Cb 0.55 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1ngk h ASP 7 CO -0.67 0.73 0.33 0.00 -1.72 0.00 0.00 179.24 177.91 1ngk h ALA 8 N 0.90 2.36 -0.45 3.45 0.00 0.33 -2.27 119.26 123.58 1ngk h ALA 8 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ngk h ALA 8 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ngk h ALA 8 CO 0.01 -0.49 0.00 1.33 0.00 0.00 0.00 179.25 180.10 1ngk n VAL 9 N -4.42 0.64 0.00 0.00 0.24 -0.54 -4.93 118.33 109.32 1ngk n VAL 9 Ca 0.08 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 1ngk n VAL 9 Cb 0.50 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 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 1.41 0.91 7.00 7.63 0.00 -0.85 -4.62 105.19 116.67 1ngk n GLY 10 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.70 2.54 0.29 -0.02 0.00 0.14 -3.53 105.19 102.92 1ngk n GLY 11 Ca 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.69 1.12 -0.70 4.61 0.00 -1.96 -1.88 119.26 119.76 1ngk h ALA 12 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ngk h ALA 12 Cb 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ngk h ALA 12 CO 0.00 -0.42 0.21 0.87 0.00 0.00 0.00 179.25 179.91 1ngk h LYS 13 N 0.22 1.09 -0.11 0.00 1.79 -1.97 -0.37 116.57 117.22 1ngk h LYS 13 Ca 0.50 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1ngk h LYS 13 Cb 0.94 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1ngk h LYS 13 CO -0.62 0.95 -0.02 1.15 -1.08 0.00 0.00 179.45 179.83 1ngk h THR 14 N 1.03 1.28 -0.14 -0.16 2.02 -1.46 -0.19 112.91 115.30 1ngk h THR 14 Ca 0.23 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.36 1ngk h THR 14 Cb 0.31 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1ngk h THR 14 CO -0.01 0.27 -0.42 -0.26 0.37 0.00 0.00 175.52 175.47 1ngk h PHE 15 N -0.10 0.37 -0.53 3.16 0.04 -1.34 0.68 116.94 119.21 1ngk h PHE 15 Ca 0.03 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 1ngk h PHE 15 Cb 0.42 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 1ngk h PHE 15 CO 0.05 0.68 -0.03 0.22 -0.60 0.00 0.00 178.31 178.63 1ngk h ASP 16 N 0.26 0.94 -0.00 2.17 -0.00 -1.06 -0.99 116.42 117.74 1ngk h ASP 16 Ca 0.02 -0.32 -0.00 0.00 -0.00 0.00 0.00 57.03 56.73 1ngk h ASP 16 Cb 0.85 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 39.92 1ngk h ASP 16 CO 0.07 1.04 0.00 0.00 -0.00 0.00 0.00 179.24 180.35 1ngk h ALA 17 N 0.94 0.00 0.49 -0.78 0.00 -0.50 -1.04 119.26 118.36 1ngk h ALA 17 Ca 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ngk h ALA 17 Cb 0.57 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ngk h ALA 17 CO 0.03 -0.41 -0.32 0.82 0.00 0.00 0.00 179.25 179.37 1ngk h ILE 18 N -0.18 0.34 -0.33 0.00 2.04 -0.89 -2.03 117.51 116.46 1ngk h ILE 18 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1ngk h ILE 18 Cb 0.18 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1ngk h ILE 18 CO -0.00 0.00 -0.37 0.58 0.00 0.00 0.00 178.15 178.36 1ngk h VAL 19 N -0.78 1.28 -0.79 1.67 2.07 -1.19 0.18 116.25 118.70 1ngk h VAL 19 Ca -0.05 -1.54 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 1ngk h VAL 19 Cb 0.65 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1ngk h VAL 19 CO 0.04 0.50 0.31 0.77 0.02 0.00 0.00 177.57 179.22 1ngk h SER 20 N 0.63 1.09 -0.42 0.57 4.64 -1.22 0.64 113.55 119.47 1ngk h SER 20 Ca 0.06 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 1ngk h SER 20 Cb 0.92 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1ngk h SER 20 CO 0.08 0.97 -0.21 0.03 -0.87 0.00 0.00 176.83 176.83 1ngk h ARG 21 N 1.15 0.93 0.22 4.77 -0.00 -0.93 -0.21 114.38 120.32 1ngk h ARG 21 Ca 0.26 -0.39 -0.01 0.00 -0.50 0.00 0.00 59.98 59.35 1ngk h ARG 21 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.15 1ngk h ARG 21 CO -0.02 1.05 -0.11 0.35 0.00 0.00 0.00 179.97 181.24 1ngk h PHE 22 N 0.81 -0.28 0.00 3.04 3.57 -0.44 -2.69 116.94 120.95 1ngk h PHE 22 Ca 0.11 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1ngk h PHE 22 Cb 0.77 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1ngk h PHE 22 CO 0.05 -0.14 -0.26 1.88 -2.23 0.00 0.00 178.31 177.61 1ngk h TYR 23 N -0.34 0.00 -0.87 0.41 0.05 -0.80 -1.61 116.97 113.81 1ngk h TYR 23 Ca -0.03 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 1ngk h TYR 23 Cb 0.26 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 1ngk h TYR 23 CO -0.05 0.26 0.46 0.00 -1.05 0.00 0.00 178.16 177.78 1ngk h ALA 24 N 1.74 1.17 0.24 3.88 0.00 -0.95 -2.59 119.26 122.75 1ngk h ALA 24 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ngk h ALA 24 Cb 0.74 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ngk h ALA 24 CO 0.03 0.65 -0.12 1.96 0.00 0.00 0.00 179.25 181.78 1ngk h GLN 25 N 1.22 -0.31 -0.95 0.00 1.08 -0.98 -3.09 115.11 112.07 1ngk h GLN 25 Ca 0.30 0.02 0.30 0.00 -1.45 0.00 0.00 58.65 57.82 1ngk h GLN 25 Cb 0.05 0.07 -0.16 0.00 -0.05 0.00 0.00 27.48 27.39 1ngk h GLN 25 CO -0.05 -0.03 0.29 0.28 -0.95 0.00 0.00 178.83 178.38 1ngk h VAL 26 N -0.60 0.17 -0.86 -0.54 2.07 -1.30 0.82 116.25 116.01 1ngk h VAL 26 Ca -0.03 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1ngk h VAL 26 Cb 0.43 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 1ngk h VAL 26 CO 0.05 0.02 0.56 0.00 0.02 0.00 0.00 177.57 178.22 1ngk h ALA 27 N 1.89 1.82 -0.45 1.67 0.00 -1.37 -1.53 119.26 121.29 1ngk h ALA 27 Ca 0.65 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1ngk h ALA 27 Cb 1.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ngk h ALA 27 CO -0.75 -0.03 0.00 0.39 0.00 0.00 0.00 179.25 178.86 1ngk n GLU 28 N -4.54 2.50 -3.23 0.00 -0.58 0.22 -4.86 120.64 110.16 1ngk n GLU 28 Ca 0.16 -2.32 -0.43 0.00 -0.42 0.00 0.00 57.16 54.16 1ngk n GLU 28 Cb 0.43 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.72 1ngk n GLU 28 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ngk s ASP 29 N -1.32 6.27 0.23 1.62 -1.08 -0.57 -4.96 116.67 116.86 1ngk s ASP 29 Ca 0.39 -0.40 -0.14 0.00 -0.52 0.00 0.00 52.55 51.88 1ngk s ASP 29 Cb 0.22 -2.27 0.29 0.00 -1.46 0.00 0.00 42.92 39.71 1ngk s ASP 29 CO 0.30 -0.63 1.58 -0.33 0.52 0.00 0.00 175.17 176.62 1ngk h GLU 30 N 8.72 -0.03 0.02 4.34 4.39 -1.91 0.16 114.58 130.27 1ngk h GLU 30 Ca -0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1ngk h GLU 30 Cb 1.11 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1ngk h GLU 30 CO 0.82 -0.02 -0.01 0.28 -1.16 0.00 0.00 179.01 178.92 1ngk h VAL 31 N -0.03 1.14 -0.08 3.13 2.07 -1.94 -3.16 116.25 117.37 1ngk h VAL 31 Ca 0.36 -0.48 -0.21 0.00 0.82 0.00 0.00 66.70 67.19 1ngk h VAL 31 Cb 0.60 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1ngk h VAL 31 CO -0.85 0.12 -0.82 -0.07 0.02 0.00 0.00 177.57 175.97 1ngk h LEU 32 N -0.23 0.67 -1.86 2.57 3.38 -1.70 -2.95 115.31 115.19 1ngk h LEU 32 Ca -0.00 -0.47 0.09 0.00 0.09 0.00 0.00 57.88 57.59 1ngk h LEU 32 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ngk h LEU 32 CO 0.00 1.25 0.29 0.03 0.09 0.00 0.00 178.44 180.10 1ngk h ARG 33 N 0.36 0.16 0.00 1.13 3.08 -0.77 0.24 114.38 118.59 1ngk h ARG 33 Ca -0.06 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1ngk h ARG 33 Cb 1.43 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1ngk h ARG 33 CO 0.15 0.11 -0.39 0.00 -1.07 0.00 0.00 179.97 178.77 1ngk h ARG 34 N 0.16 0.00 0.03 0.04 2.47 -1.48 -3.34 114.38 112.26 1ngk h ARG 34 Ca 0.19 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.55 1ngk h ARG 34 Cb 0.56 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.83 1ngk h ARG 34 CO -0.03 0.39 -2.05 0.28 0.56 0.00 0.00 179.97 179.13 1ngk n VAL 35 N -3.96 1.59 -2.04 2.04 0.31 0.70 -4.89 118.33 112.08 1ngk n VAL 35 Ca -0.02 -0.40 -0.42 0.00 -0.01 0.00 0.00 64.34 63.50 1ngk n VAL 35 Cb 0.44 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 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 -2.48 3.10 0.04 3.52 1.51 -0.28 -4.94 117.35 117.81 1ngk s TYR 36 Ca -0.31 0.93 -0.30 0.00 -1.01 0.00 0.00 57.07 56.38 1ngk s TYR 36 Cb 0.09 -3.80 -0.09 0.00 -0.11 0.00 0.00 41.96 38.05 1ngk s TYR 36 CO 0.61 -2.72 1.98 -2.30 -1.11 0.00 0.00 175.55 172.01 1ngk n PRO 37 N 3.07 2.88 0.03 -1.71 -0.02 -1.26 -4.86 135.00 133.13 1ngk n PRO 37 Ca 0.09 1.06 0.08 0.00 -2.02 0.00 0.00 63.50 62.71 1ngk n PRO 37 Cb 0.40 -3.02 0.34 0.00 -0.02 0.00 0.00 33.50 31.21 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 7.55 0.04 0.11 -0.52 0.28 -1.26 -3.02 120.64 123.82 1ngk n GLU 38 Ca 0.20 0.30 0.12 0.00 -0.16 0.00 0.00 57.16 57.61 1ngk n GLU 38 Cb 0.41 -1.58 0.03 0.00 1.43 0.00 0.00 31.44 31.72 1ngk n GLU 38 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ngk h ASP 39 N 0.00 0.00 -2.09 -1.84 3.32 -2.01 -3.40 116.42 110.40 1ngk h ASP 39 Ca 0.00 -0.02 -0.56 0.00 0.02 0.00 0.00 57.03 56.47 1ngk h ASP 39 Cb 0.27 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.41 1ngk h ASP 39 CO 0.00 0.01 -0.92 -0.67 -1.72 0.00 0.00 179.24 175.94 1ngk n ASP 40 N -2.66 1.90 0.05 6.45 2.03 -1.17 -4.85 116.55 118.31 1ngk n ASP 40 Ca 0.01 -3.11 -0.16 0.00 0.52 0.00 0.00 54.79 52.05 1ngk n ASP 40 Cb 0.54 -0.63 -0.07 0.00 -0.72 0.00 0.00 41.12 40.24 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 3.68 0.70 -0.59 -2.67 3.38 -1.79 -1.29 115.31 116.73 1ngk h LEU 41 Ca 0.12 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.57 1ngk h LEU 41 Cb 0.79 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1ngk h LEU 41 CO 0.62 1.35 0.34 0.00 0.09 0.00 0.00 178.44 180.85 1ngk h ALA 42 N 0.60 0.77 -0.34 1.53 0.00 -1.96 0.31 119.26 120.17 1ngk h ALA 42 Ca -0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ngk h ALA 42 Cb 1.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1ngk h ALA 42 CO 0.18 0.05 0.07 0.78 0.00 0.00 0.00 179.25 180.32 1ngk h GLY 43 N 0.67 0.60 0.95 0.00 0.00 -1.92 -1.66 103.07 101.69 1ngk h GLY 43 Ca 0.25 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1ngk h GLY 43 CO -0.13 0.36 0.48 0.00 0.00 0.00 0.00 176.54 177.26 1ngk h ALA 44 N 0.91 0.96 -0.05 3.60 0.00 -0.83 -1.26 119.26 122.59 1ngk h ALA 44 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 44 Cb 0.33 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ngk h ALA 44 CO 0.00 0.32 0.03 1.49 0.00 0.00 0.00 179.25 181.09 1ngk h GLU 45 N 0.97 0.05 -0.44 0.00 4.81 -0.81 -1.88 114.58 117.28 1ngk h GLU 45 Ca 0.28 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1ngk h GLU 45 Cb -0.06 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.26 1ngk h GLU 45 CO -0.08 0.04 0.17 1.49 -0.73 0.00 0.00 179.01 179.89 1ngk h GLU 46 N 0.06 0.33 -0.37 1.92 4.81 -0.89 -1.62 114.58 118.81 1ngk h GLU 46 Ca 0.02 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1ngk h GLU 46 Cb -0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1ngk h GLU 46 CO -0.01 0.22 -0.37 0.00 -0.73 0.00 0.00 179.01 178.12 1ngk h ARG 47 N 0.34 0.88 0.05 1.92 3.08 -1.09 -0.54 114.38 119.02 1ngk h ARG 47 Ca 0.20 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1ngk h ARG 47 Cb 0.18 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1ngk h ARG 47 CO -0.20 1.10 -0.03 1.25 -1.07 0.00 0.00 179.97 181.02 1ngk h LEU 48 N 0.72 -0.06 -0.16 3.04 6.46 -1.23 -0.92 115.31 123.16 1ngk h LEU 48 Ca 0.06 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1ngk h LEU 48 Cb 0.94 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.85 1ngk h LEU 48 CO 0.09 0.01 -0.11 -0.09 -0.62 0.00 0.00 178.44 177.72 1ngk h ARG 49 N -0.13 -0.11 -0.86 1.25 2.43 -1.17 -1.17 114.38 114.63 1ngk h ARG 49 Ca -0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ngk h ARG 49 Cb 0.11 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 1ngk h ARG 49 CO 0.01 -0.07 0.56 0.52 -1.51 0.00 0.00 179.97 179.48 1ngk h MET 50 N -0.11 1.07 0.05 0.20 2.86 -0.99 -0.94 114.93 117.06 1ngk h MET 50 Ca 0.10 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ngk h MET 50 Cb 0.26 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1ngk h MET 50 CO -0.23 0.71 -0.02 0.35 1.06 0.00 0.00 176.91 178.77 1ngk h PHE 51 N 1.10 -0.06 -0.70 -0.22 3.57 -0.67 -1.90 116.94 118.07 1ngk h PHE 51 Ca 0.33 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 1ngk h PHE 51 Cb -0.05 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1ngk h PHE 51 CO -0.02 -0.02 0.23 -0.07 -2.23 0.00 0.00 178.31 176.20 1ngk h LEU 52 N -0.08 1.00 -0.19 0.59 3.38 -0.88 0.20 115.31 119.32 1ngk h LEU 52 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ngk h LEU 52 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ngk h LEU 52 CO 0.01 0.92 0.12 -0.33 0.09 0.00 0.00 178.44 179.26 1ngk h GLU 53 N 1.03 0.26 -0.51 1.13 5.08 -1.07 -1.32 114.58 119.19 1ngk h GLU 53 Ca 0.23 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1ngk h GLU 53 Cb 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1ngk h GLU 53 CO -0.01 0.19 0.08 0.37 -1.00 0.00 0.00 179.01 178.64 1ngk h GLN 54 N 0.25 0.84 -0.60 2.33 4.15 -1.02 0.30 115.11 121.37 1ngk h GLN 54 Ca 0.07 -0.23 0.10 0.00 0.77 0.00 0.00 58.65 59.36 1ngk h GLN 54 Cb -0.00 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.51 1ngk h GLN 54 CO -0.01 0.84 0.19 -0.92 -1.93 0.00 0.00 178.83 176.99 1ngk h TYR 55 N 0.72 0.32 -0.26 3.99 5.03 -0.32 -1.88 116.97 124.57 1ngk h TYR 55 Ca 0.15 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1ngk h TYR 55 Cb 0.40 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1ngk h TYR 55 CO 0.03 0.05 0.00 0.91 -1.32 0.00 0.00 178.16 177.83 1ngk n TRP 56 N -5.04 0.42 0.00 -3.82 7.02 -0.52 -4.87 117.44 110.62 1ngk n TRP 56 Ca 0.09 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 1ngk n TRP 56 Cb 0.29 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.14 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 0.80 0.86 0.00 6.99 0.00 -0.71 -1.40 105.19 111.73 1ngk n GLY 57 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.91 0.61 3.71 -0.02 0.00 0.10 -4.86 105.19 102.82 1ngk n GLY 58 Ca 0.00 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1ngk n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ngk n PRO 59 N 0.00 0.99 -0.82 1.61 -0.02 -1.26 -4.60 135.00 130.90 1ngk n PRO 59 Ca 0.00 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1ngk n PRO 59 Cb 0.00 -2.48 0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1ngk n PRO 59 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1ngk n ARG 60 N -1.94 2.21 0.20 -0.52 1.85 -1.26 -3.53 116.66 113.68 1ngk n ARG 60 Ca 0.15 -2.14 0.08 0.00 -1.00 0.00 0.00 57.85 54.95 1ngk n ARG 60 Cb 0.48 -1.87 0.37 0.00 -1.05 0.00 0.00 32.46 30.39 1ngk n ARG 60 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ngk h THR 61 N 1.08 0.64 0.36 8.89 1.03 -1.91 -2.29 112.91 120.72 1ngk h THR 61 Ca 0.37 -1.35 -0.01 0.00 -0.01 0.00 0.00 66.41 65.42 1ngk h THR 61 Cb 2.19 1.90 -0.02 0.00 -1.07 0.00 0.00 68.15 71.14 1ngk h THR 61 CO 0.70 0.28 -0.42 0.22 -0.01 0.00 0.00 175.52 176.29 1ngk h TYR 62 N 0.00 -1.19 -0.32 0.00 3.20 -1.80 -1.45 116.97 115.42 1ngk h TYR 62 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1ngk h TYR 62 Cb 0.87 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 1ngk h TYR 62 CO 0.00 -0.55 0.14 0.66 -1.64 0.00 0.00 178.16 176.77 1ngk h SER 63 N -0.80 0.39 -0.77 -2.11 4.64 -1.72 0.37 113.55 113.54 1ngk h SER 63 Ca -0.04 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1ngk h SER 63 Cb 0.71 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1ngk h SER 63 CO -0.09 0.35 0.51 -0.33 -0.87 0.00 0.00 176.83 176.40 1ngk h GLU 64 N 0.44 1.00 0.00 4.77 5.08 -1.28 0.17 114.58 124.76 1ngk h GLU 64 Ca 0.11 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 1ngk h GLU 64 Cb 0.07 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1ngk h GLU 64 CO -0.01 0.66 -2.13 1.04 -1.00 0.00 0.00 179.01 177.56 1ngk n GLN 65 N -4.42 0.79 0.00 2.33 6.02 -0.56 -4.62 117.38 116.92 1ngk n GLN 65 Ca 0.09 -0.08 0.01 0.00 -0.01 0.00 0.00 57.00 57.01 1ngk n GLN 65 Cb 0.05 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 1ngk n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ngk n ARG 66 N -2.48 5.05 -0.01 -1.09 5.12 0.12 -5.10 116.66 118.28 1ngk n ARG 66 Ca -0.19 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.62 1ngk n ARG 66 Cb 0.86 -0.69 -0.00 0.00 -1.16 0.00 0.00 32.46 31.47 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 0.92 -2.01 3.67 -0.13 0.00 0.59 -4.87 105.19 103.36 1ngk n GLY 67 Ca 0.01 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 44.18 1ngk n GLY 67 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ngk n HIS 68 N -0.23 2.15 -1.98 1.61 -0.00 -1.26 -4.31 115.22 111.20 1ngk n HIS 68 Ca 0.00 0.45 -0.42 0.00 -0.00 0.00 0.00 57.72 57.75 1ngk n HIS 68 Cb 0.00 -2.45 -0.03 0.00 -0.00 0.00 0.00 29.99 27.51 1ngk n HIS 68 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1ngk s PRO 69 N -0.50 4.24 -0.40 1.57 0.02 -1.26 -4.94 135.00 133.73 1ngk s PRO 69 Ca 0.67 2.33 0.10 0.00 0.02 0.00 0.00 61.00 64.12 1ngk s PRO 69 Cb -0.65 -3.13 0.30 0.00 0.02 0.00 0.00 34.50 31.05 1ngk s PRO 69 CO 0.50 -0.50 0.66 0.54 -0.33 0.00 0.00 177.00 177.87 1ngk n ARG 70 N 3.00 1.03 -0.27 5.54 1.74 -1.26 -5.02 116.66 121.42 1ngk n ARG 70 Ca 0.10 -3.44 -0.06 0.00 -0.77 0.00 0.00 57.85 53.68 1ngk n ARG 70 Cb 0.40 -1.55 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 1ngk n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ngk h LEU 71 N 3.45 1.03 -0.41 0.55 3.38 -1.98 -0.52 115.31 120.82 1ngk h LEU 71 Ca 0.09 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ngk h LEU 71 Cb 0.90 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1ngk h LEU 71 CO 0.51 0.92 0.24 -0.09 0.09 0.00 0.00 178.44 180.11 1ngk h ARG 72 N 1.08 0.47 -0.38 1.13 2.43 -1.95 -0.67 114.38 116.49 1ngk h ARG 72 Ca 0.25 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1ngk h ARG 72 Cb 0.20 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1ngk h ARG 72 CO -0.02 0.31 -0.15 1.98 -1.51 0.00 0.00 179.97 180.58 1ngk h MET 73 N 0.48 0.69 0.00 0.20 4.05 -1.85 -1.27 114.93 117.22 1ngk h MET 73 Ca 0.16 -0.23 -0.09 0.00 -0.28 0.00 0.00 59.70 59.26 1ngk h MET 73 Cb 0.01 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1ngk h MET 73 CO -0.08 0.80 -0.42 0.00 0.23 0.00 0.00 176.91 177.45 1ngk h ARG 74 N 0.62 0.00 0.00 0.39 2.47 -0.72 -2.76 114.38 114.38 1ngk h ARG 74 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1ngk h ARG 74 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1ngk h ARG 74 CO 0.04 0.42 -0.55 0.72 0.56 0.00 0.00 179.97 181.16 1ngk n HIS 75 N -3.53 0.24 -0.09 3.04 8.25 -0.29 -4.45 115.22 118.38 1ngk n HIS 75 Ca -0.00 0.07 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 1ngk n HIS 75 Cb 0.54 -0.44 0.48 0.00 1.12 0.00 0.00 29.99 31.69 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 2.78 1.96 0.00 -1.41 0.00 -0.92 -1.32 119.26 120.34 1ngk h ALA 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ngk h ALA 76 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ngk h ALA 76 CO 0.00 -0.09 0.00 -1.35 0.00 0.00 0.00 179.25 177.81 1ngk h PRO 77 N 0.46 0.00 -6.23 0.00 0.11 -1.78 -3.44 132.00 121.13 1ngk h PRO 77 Ca 0.28 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.71 1ngk h PRO 77 Cb 0.48 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.41 1ngk h PRO 77 CO -0.08 0.00 -0.70 -0.06 -0.21 0.00 0.00 178.00 176.95 1ngk s PHE 78 N -3.60 2.90 -0.79 0.65 0.40 -0.50 -5.06 117.98 111.99 1ngk s PHE 78 Ca -0.00 -0.02 -0.21 0.00 -0.60 0.00 0.00 56.93 56.10 1ngk s PHE 78 Cb 0.09 -1.65 0.10 0.00 0.51 0.00 0.00 43.02 42.06 1ngk s PHE 78 CO 0.35 0.35 1.05 1.03 0.70 0.00 0.00 175.22 178.70 1ngk s ARG 79 N -1.12 3.34 -0.79 0.44 0.52 -1.26 -4.88 118.95 115.19 1ngk s ARG 79 Ca 0.15 -1.25 -0.14 0.00 -0.52 0.00 0.00 55.73 53.96 1ngk s ARG 79 Cb -0.11 -4.58 0.20 0.00 0.52 0.00 0.00 34.95 30.99 1ngk s ARG 79 CO 0.04 -1.81 0.75 0.42 0.02 0.00 0.00 175.30 174.72 1ngk s ILE 80 N 3.49 5.53 0.59 1.52 1.01 -1.26 -4.89 121.20 127.18 1ngk s ILE 80 Ca 0.27 -2.31 -0.04 0.00 0.00 0.00 0.00 60.65 58.58 1ngk s ILE 80 Cb -0.11 -4.46 0.12 0.00 0.01 0.00 0.00 42.46 38.02 1ngk s ILE 80 CO 0.01 -1.03 0.80 -1.54 0.00 0.00 0.00 174.94 173.18 1ngk n SER 81 N 4.24 0.68 -0.25 3.58 3.41 -1.25 -0.89 113.62 123.14 1ngk n SER 81 Ca 0.10 -1.67 0.17 0.00 -0.26 0.00 0.00 58.87 57.22 1ngk n SER 81 Cb 0.46 -0.56 0.48 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.48 -0.23 1.04 4.07 -1.91 -1.33 115.31 117.43 1ngk h LEU 82 Ca -0.26 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.71 1ngk h LEU 82 Cb 0.88 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1ngk h LEU 82 CO 0.25 0.20 -0.00 0.40 -1.08 0.00 0.00 178.44 178.20 1ngk h ILE 83 N 0.48 1.26 -0.49 1.22 2.04 -1.95 -0.15 117.51 119.91 1ngk h ILE 83 Ca 0.47 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1ngk h ILE 83 Cb 1.08 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1ngk h ILE 83 CO -0.20 0.28 -0.00 -0.33 0.00 0.00 0.00 178.15 177.90 1ngk h GLU 84 N 0.18 0.87 -0.26 2.37 3.07 -1.80 -1.77 114.58 117.25 1ngk h GLU 84 Ca 0.07 -0.28 0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1ngk h GLU 84 Cb 0.41 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1ngk h GLU 84 CO 0.01 0.91 0.00 -0.09 -1.40 0.00 0.00 179.01 178.44 1ngk h ARG 85 N 0.73 0.08 -0.67 2.33 2.43 -1.10 -0.29 114.38 117.89 1ngk h ARG 85 Ca 0.14 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1ngk h ARG 85 Cb 0.52 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1ngk h ARG 85 CO 0.03 0.05 0.14 -0.44 -1.51 0.00 0.00 179.97 178.24 1ngk h ASP 86 N 0.08 1.02 -0.34 -3.80 3.32 -0.93 -0.75 116.42 115.02 1ngk h ASP 86 Ca 0.12 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1ngk h ASP 86 Cb 0.16 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1ngk h ASP 86 CO -0.21 0.99 0.18 0.00 -1.72 0.00 0.00 179.24 178.48 1ngk h ALA 87 N 1.13 0.43 -0.00 3.45 0.00 -1.04 -0.94 119.26 122.30 1ngk h ALA 87 Ca 0.21 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ngk h ALA 87 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ngk h ALA 87 CO 0.01 -0.03 -0.08 2.35 0.00 0.00 0.00 179.25 181.49 1ngk h TRP 88 N 0.42 -0.20 -0.78 0.00 7.01 -0.86 -1.98 115.95 119.56 1ngk h TRP 88 Ca 0.12 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.16 1ngk h TRP 88 Cb 0.07 0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 1ngk h TRP 88 CO -0.03 -0.12 0.50 -0.07 -2.79 0.00 0.00 178.44 175.93 1ngk h LEU 89 N -0.14 0.82 -0.04 0.65 4.07 -1.02 -0.50 115.31 119.15 1ngk h LEU 89 Ca 0.03 -0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.01 1ngk h LEU 89 Cb 0.18 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1ngk h LEU 89 CO -0.08 0.56 -0.12 0.03 -1.08 0.00 0.00 178.44 177.75 1ngk h ARG 90 N 0.96 -0.17 -0.93 1.13 3.08 -0.90 0.14 114.38 117.68 1ngk h ARG 90 Ca 0.31 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.38 1ngk h ARG 90 Cb 0.02 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1ngk h ARG 90 CO -0.11 -0.11 0.62 0.00 -1.07 0.00 0.00 179.97 179.29 1ngk h MET 92 N 1.27 0.82 -0.74 0.00 1.85 -0.80 -1.19 114.93 116.13 1ngk h MET 92 Ca 0.34 -0.38 0.03 0.00 -0.61 0.00 0.00 59.70 59.08 1ngk h MET 92 Cb -0.14 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.83 1ngk h MET 92 CO -0.07 1.02 0.46 0.45 -0.40 0.00 0.00 176.91 178.37 1ngk h HIS 93 N 0.61 0.87 -0.15 1.39 -0.00 -0.56 -0.25 115.15 117.07 1ngk h HIS 93 Ca 0.07 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 1ngk h HIS 93 Cb 0.81 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.91 1ngk h HIS 93 CO 0.06 0.49 -0.02 1.15 -0.00 0.00 0.00 177.93 179.62 1ngk h THR 94 N 0.90 0.88 -0.27 2.45 2.02 -1.17 0.59 112.91 118.30 1ngk h THR 94 Ca 0.30 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1ngk h THR 94 Cb 0.02 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1ngk h THR 94 CO -0.11 0.01 0.18 0.00 0.37 0.00 0.00 175.52 175.96 1ngk h ALA 95 N 1.13 0.34 -0.61 6.16 0.00 -0.79 -2.44 119.26 123.05 1ngk h ALA 95 Ca 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ngk h ALA 95 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ngk h ALA 95 CO -0.13 -0.19 0.10 0.28 0.00 0.00 0.00 179.25 179.30 1ngk h VAL 96 N 0.36 1.25 0.00 0.00 2.07 -0.89 -2.09 116.25 116.96 1ngk h VAL 96 Ca 0.10 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1ngk h VAL 96 Cb -0.04 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1ngk h VAL 96 CO -0.03 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.93 1ngk h ALA 97 N 1.16 1.00 0.00 1.67 0.00 -0.42 -1.42 119.26 121.25 1ngk h ALA 97 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ngk h ALA 97 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ngk h ALA 97 CO 0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1ngk n SER 98 N -2.95 0.00 -4.71 0.00 3.41 -0.79 -4.74 113.62 103.85 1ngk n SER 98 Ca -0.02 0.27 -0.37 0.00 -0.26 0.00 0.00 58.87 58.49 1ngk n SER 98 Cb 0.10 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.57 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 -2.82 5.27 0.87 -1.33 -1.09 -0.54 -5.08 121.20 116.48 1ngk s ILE 99 Ca 0.16 0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 59.09 1ngk s ILE 99 Cb 0.16 -3.67 0.11 0.00 -1.58 0.00 0.00 42.46 37.48 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 0.67 3.68 0.45 3.58 3.84 -1.26 -4.83 116.67 122.80 1ngk s ASP 100 Ca 0.18 1.57 0.26 0.00 -0.00 0.00 0.00 52.55 54.56 1ngk s ASP 100 Cb -0.14 -2.25 0.86 0.00 -1.38 0.00 0.00 42.92 40.01 1ngk s ASP 100 CO 0.06 -2.52 1.80 0.77 -0.00 0.00 0.00 175.17 175.27 1ngk h SER 101 N -1.46 0.00 -0.38 2.11 4.64 -1.98 -1.90 113.55 114.57 1ngk h SER 101 Ca -0.48 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.68 1ngk h SER 101 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1ngk h SER 101 CO 0.54 0.16 -0.36 -0.08 -0.87 0.00 0.00 176.83 176.21 1ngk h GLU 102 N 0.00 0.93 0.03 4.77 4.22 -1.98 -3.08 114.58 119.46 1ngk h GLU 102 Ca -0.00 -0.47 -0.00 0.00 0.08 0.00 0.00 59.36 58.97 1ngk h GLU 102 Cb 0.79 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ngk h GLU 102 CO 0.02 1.13 -0.01 1.15 -2.18 0.00 0.00 179.01 179.12 1ngk h THR 103 N 0.76 1.35 -3.51 0.32 2.02 -1.88 -3.42 112.91 108.55 1ngk h THR 103 Ca 0.07 -1.81 -0.69 0.00 0.77 0.00 0.00 66.41 64.76 1ngk h THR 103 Cb 0.95 2.46 -0.36 0.00 -1.74 0.00 0.00 68.15 69.45 1ngk h THR 103 CO 0.09 0.42 -0.51 -0.22 0.37 0.00 0.00 175.52 175.67 1ngk s LEU 104 N -8.53 5.09 0.99 2.58 0.20 -0.73 -4.53 118.68 113.76 1ngk s LEU 104 Ca -0.15 -2.46 -0.13 0.00 0.69 0.00 0.00 54.13 52.08 1ngk s LEU 104 Cb -0.01 -1.79 0.18 0.00 -0.43 0.00 0.00 46.19 44.14 1ngk s LEU 104 CO 0.56 -0.43 1.13 1.51 -0.29 0.00 0.00 176.35 178.83 1ngk s ASP 105 N 1.07 2.74 0.22 3.68 1.47 -1.16 -4.27 116.67 120.42 1ngk s ASP 105 Ca 0.13 0.96 -0.09 0.00 1.18 0.00 0.00 52.55 54.72 1ngk s ASP 105 Cb -0.22 -1.49 0.22 0.00 -0.34 0.00 0.00 42.92 41.08 1ngk s ASP 105 CO -0.04 -3.03 1.85 0.44 0.68 0.00 0.00 175.17 175.08 1ngk h ASP 106 N -1.83 0.77 -0.06 2.11 5.19 -1.98 0.82 116.42 121.44 1ngk h ASP 106 Ca -0.51 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1ngk h ASP 106 Cb 1.32 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1ngk h ASP 106 CO 0.55 0.53 0.03 -0.33 -3.12 0.00 0.00 179.24 176.91 1ngk h GLU 107 N 0.92 0.09 -0.21 3.56 5.08 -1.99 -1.36 114.58 120.65 1ngk h GLU 107 Ca 0.30 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.52 1ngk h GLU 107 Cb 0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1ngk h GLU 107 CO -0.11 0.16 -0.43 0.45 -1.00 0.00 0.00 179.01 178.07 1ngk h HIS 108 N -0.01 0.62 -0.35 4.33 3.86 -1.83 -1.91 115.15 119.86 1ngk h HIS 108 Ca 0.02 -0.19 0.02 0.00 -1.16 0.00 0.00 60.37 59.07 1ngk h HIS 108 Cb 0.10 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1ngk h HIS 108 CO -0.04 0.86 0.18 -0.09 0.86 0.00 0.00 177.93 179.70 1ngk h ARG 109 N 0.42 0.36 -0.15 2.45 2.43 -0.74 -0.74 114.38 118.41 1ngk h ARG 109 Ca 0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ngk h ARG 109 Cb 0.93 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1ngk h ARG 109 CO 0.08 0.24 0.05 -0.09 -1.51 0.00 0.00 179.97 178.74 1ngk h ARG 110 N 0.37 0.24 -0.48 0.20 2.43 -1.03 -1.03 114.38 115.08 1ngk h ARG 110 Ca 0.15 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1ngk h ARG 110 Cb 0.05 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1ngk h ARG 110 CO -0.10 0.36 0.27 1.49 -1.51 0.00 0.00 179.97 180.48 1ngk h GLU 111 N 0.07 0.51 -0.23 0.20 4.81 -1.25 0.12 114.58 118.82 1ngk h GLU 111 Ca 0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ngk h GLU 111 Cb 0.22 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1ngk h GLU 111 CO -0.00 0.34 0.09 1.25 -0.73 0.00 0.00 179.01 179.96 1ngk h LEU 112 N 0.53 0.32 -0.47 1.64 5.85 -0.97 -0.92 115.31 121.29 1ngk h LEU 112 Ca 0.20 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1ngk h LEU 112 Cb 0.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1ngk h LEU 112 CO -0.11 0.39 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.27 1ngk h LEU 113 N 0.22 0.85 -0.19 2.25 4.07 -1.08 -1.48 115.31 119.96 1ngk h LEU 113 Ca 0.08 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.74 1ngk h LEU 113 Cb 0.18 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1ngk h LEU 113 CO -0.01 0.98 -0.00 0.44 -1.08 0.00 0.00 178.44 178.77 1ngk h ASP 114 N 0.71 -0.08 -0.24 -0.43 3.32 -0.68 -1.78 116.42 117.23 1ngk h ASP 114 Ca 0.13 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.28 1ngk h ASP 114 Cb 0.57 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 1ngk h ASP 114 CO 0.03 -0.02 -0.13 0.22 -1.72 0.00 0.00 179.24 177.63 1ngk h TYR 115 N 0.06 -0.32 -0.28 4.55 5.03 -0.96 -2.80 116.97 122.24 1ngk h TYR 115 Ca 0.09 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.33 1ngk h TYR 115 Cb 0.11 0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1ngk h TYR 115 CO -0.18 -0.20 -0.25 -0.07 -1.32 0.00 0.00 178.16 176.15 1ngk h LEU 116 N -0.11 0.55 0.09 2.82 3.38 -0.97 -1.34 115.31 119.73 1ngk h LEU 116 Ca 0.13 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ngk h LEU 116 Cb 0.30 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ngk h LEU 116 CO -0.30 0.79 -0.04 -0.33 0.09 0.00 0.00 178.44 178.64 1ngk h GLU 117 N 0.48 -0.12 -0.62 1.13 5.08 -1.24 -1.12 114.58 118.17 1ngk h GLU 117 Ca 0.07 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1ngk h GLU 117 Cb 0.69 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1ngk h GLU 117 CO 0.05 0.14 0.11 0.00 -1.00 0.00 0.00 179.01 178.31 1ngk h MET 118 N -0.37 1.01 -0.59 2.33 -0.00 -1.35 -0.90 114.93 115.06 1ngk h MET 118 Ca -0.01 -0.27 -0.00 0.00 -0.00 0.00 0.00 59.70 59.42 1ngk h MET 118 Cb 0.31 -0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 31.76 1ngk h MET 118 CO 0.02 0.94 0.36 0.00 -0.00 0.00 0.00 176.91 178.24 1ngk h ALA 119 N 1.03 0.75 -0.46 -3.00 0.00 -1.24 -0.30 119.26 116.03 1ngk h ALA 119 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ngk h ALA 119 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ngk h ALA 119 CO 0.01 0.23 0.24 0.00 0.00 0.00 0.00 179.25 179.72 1ngk h ALA 120 N 1.19 0.60 -0.97 0.00 0.00 -0.78 -1.67 119.26 117.62 1ngk h ALA 120 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ngk h ALA 120 Cb -0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1ngk h ALA 120 CO -0.04 0.14 0.63 0.45 0.00 0.00 0.00 179.25 180.44 1ngk h HIS 121 N 0.61 1.19 0.00 0.00 3.86 -0.98 -2.37 115.15 117.46 1ngk h HIS 121 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1ngk h HIS 121 Cb 0.09 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.17 1ngk h HIS 121 CO -0.01 0.70 0.00 0.43 0.86 0.00 0.00 177.93 179.90 1ngk n SER 122 N -4.43 0.28 -0.73 2.45 7.64 -0.14 -2.58 113.62 116.11 1ngk n SER 122 Ca 0.13 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.67 1ngk n SER 122 Cb 0.08 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 62.71 1ngk n SER 122 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ngk n LEU 123 N -1.80 2.51 -4.71 -3.43 4.77 -0.75 -4.95 117.00 108.64 1ngk n LEU 123 Ca 0.04 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.70 1ngk n LEU 123 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1ngk n LEU 123 CO 0.19 0.44 1.40 -0.69 -1.33 0.00 0.00 177.39 177.40 1ngk s VAL 124 N -2.10 2.16 -0.02 4.08 1.01 -1.06 -4.86 120.40 119.60 1ngk s VAL 124 Ca 0.23 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1ngk s VAL 124 Cb 0.18 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1ngk s VAL 124 CO 0.39 0.00 0.94 -0.46 0.00 0.00 0.00 175.10 175.98 1ngk n ASN 125 N 4.46 0.54 -3.65 3.32 0.23 -0.07 -5.03 115.26 115.05 1ngk n ASN 125 Ca 0.16 -2.03 -0.13 0.00 -0.53 0.00 0.00 54.58 52.06 1ngk n ASN 125 Cb 0.36 -0.20 -0.08 0.00 -2.08 0.00 0.00 39.78 37.78 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 -1.18 -0.71 0.27 0.53 0.15 -1.06 -4.75 113.70 106.95 1ngk s SER 126 Ca 0.06 1.32 0.25 0.00 0.70 0.00 0.00 55.95 58.28 1ngk s SER 126 Cb 0.05 1.31 0.90 0.00 -1.71 0.00 0.00 66.02 66.57 1ngk s SER 126 CO 0.01 -0.23 1.75 1.55 1.20 0.00 0.00 173.24 177.52 1ngk h PRO 127 N 5.45 0.00 0.00 5.44 0.13 -1.98 -3.32 132.00 137.72 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ngk h PRO 127 CO 0.11 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 179.85