#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk n SER 4 N 0.00 0.34 -0.33 3.14 3.41 -1.26 -4.80 113.62 114.12 1ngk n SER 4 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1ngk n SER 4 Cb 0.00 -1.45 0.14 0.00 -0.26 0.00 0.00 64.21 62.63 1ngk n SER 4 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ngk h PHE 5 N -1.36 1.06 -0.06 7.33 3.57 -1.95 -1.68 116.94 123.85 1ngk h PHE 5 Ca -0.45 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1ngk h PHE 5 Cb 1.29 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1ngk h PHE 5 CO 0.47 0.57 -0.26 -0.92 -2.23 0.00 0.00 178.31 175.94 1ngk h TYR 6 N 1.06 -0.69 -0.75 0.41 3.20 -1.77 -1.48 116.97 116.95 1ngk h TYR 6 Ca 0.38 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 1ngk h TYR 6 Cb 0.11 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1ngk h TYR 6 CO -0.02 -0.34 0.28 -0.44 -1.64 0.00 0.00 178.16 176.00 1ngk h ASP 7 N -0.36 1.03 -0.90 -2.11 3.32 -1.82 0.32 116.42 115.90 1ngk h ASP 7 Ca 0.08 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.02 1ngk h ASP 7 Cb 0.48 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1ngk h ASP 7 CO -0.27 0.93 0.59 0.00 -1.72 0.00 0.00 179.24 178.77 1ngk h ALA 8 N 1.22 1.47 -0.38 3.45 0.00 -0.53 -2.30 119.26 122.18 1ngk h ALA 8 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ngk h ALA 8 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ngk h ALA 8 CO -0.02 0.41 0.00 1.33 0.00 0.00 0.00 179.25 180.98 1ngk n VAL 9 N -4.47 0.50 -0.22 0.00 0.24 -0.63 -4.89 118.33 108.86 1ngk n VAL 9 Ca 0.13 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1ngk n VAL 9 Cb 0.15 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 1.26 0.89 7.00 7.63 0.00 -0.87 -4.66 105.19 116.44 1ngk n GLY 10 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.22 2.82 0.27 -0.02 0.00 0.11 -3.19 105.19 102.96 1ngk n GLY 11 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.75 0.89 -0.47 4.61 0.00 -1.96 -0.72 119.26 120.86 1ngk h ALA 12 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 12 Cb 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.50 1ngk h ALA 12 CO 0.00 0.19 -0.01 -0.22 0.00 0.00 0.00 179.25 179.21 1ngk h LYS 13 N 0.83 0.10 -0.20 0.00 3.64 -1.97 0.55 116.57 119.52 1ngk h LYS 13 Ca 0.27 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1ngk h LYS 13 Cb 0.02 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ngk h LYS 13 CO -0.11 0.07 -0.19 1.15 -2.27 0.00 0.00 179.45 178.10 1ngk h THR 14 N 0.10 1.33 -0.24 1.00 2.02 -1.24 -2.19 112.91 113.69 1ngk h THR 14 Ca 0.23 -1.35 -0.09 0.00 0.77 0.00 0.00 66.41 65.98 1ngk h THR 14 Cb 0.35 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1ngk h THR 14 CO -0.40 0.41 -0.23 -0.26 0.37 0.00 0.00 175.52 175.42 1ngk h PHE 15 N 0.16 0.48 -0.53 3.16 -1.00 -0.97 0.35 116.94 118.58 1ngk h PHE 15 Ca 0.03 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.61 1ngk h PHE 15 Cb 0.73 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 1ngk h PHE 15 CO 0.08 0.64 -0.10 0.22 -1.61 0.00 0.00 178.31 177.54 1ngk h ASP 16 N 0.39 0.99 -0.15 2.17 1.82 -0.87 0.01 116.42 120.78 1ngk h ASP 16 Ca 0.06 -0.32 -0.01 0.00 -0.39 0.00 0.00 57.03 56.37 1ngk h ASP 16 Cb 0.62 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 1ngk h ASP 16 CO 0.04 1.10 0.05 0.00 -1.61 0.00 0.00 179.24 178.83 1ngk h ALA 17 N 0.99 0.20 0.23 -0.78 0.00 -1.00 0.74 119.26 119.64 1ngk h ALA 17 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ngk h ALA 17 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ngk h ALA 17 CO 0.05 -0.20 -0.11 0.82 0.00 0.00 0.00 179.25 179.80 1ngk h ILE 18 N 0.08 0.79 -0.01 0.00 2.04 -0.86 -2.41 117.51 117.14 1ngk h ILE 18 Ca 0.05 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 1ngk h ILE 18 Cb 0.20 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1ngk h ILE 18 CO -0.00 0.01 -0.74 0.58 0.00 0.00 0.00 178.15 178.00 1ngk h VAL 19 N -0.34 1.50 -0.08 1.67 2.07 -0.99 0.14 116.25 120.21 1ngk h VAL 19 Ca -0.03 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1ngk h VAL 19 Cb 0.26 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1ngk h VAL 19 CO 0.05 0.71 0.05 0.28 0.02 0.00 0.00 177.57 178.68 1ngk h SER 20 N 0.05 0.08 -0.37 0.57 0.02 -0.88 0.10 113.55 113.12 1ngk h SER 20 Ca -0.02 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1ngk h SER 20 Cb 1.31 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1ngk h SER 20 CO 0.10 0.06 -0.38 0.03 -1.14 0.00 0.00 176.83 175.51 1ngk h ARG 21 N 0.10 0.91 0.12 3.45 3.08 -1.25 -1.08 114.38 119.72 1ngk h ARG 21 Ca 0.03 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.62 1ngk h ARG 21 Cb -0.01 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1ngk h ARG 21 CO -0.01 1.13 -0.46 0.35 -1.07 0.00 0.00 179.97 179.91 1ngk h PHE 22 N 0.72 -1.31 0.00 3.04 3.57 -0.59 -2.61 116.94 119.76 1ngk h PHE 22 Ca 0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1ngk h PHE 22 Cb 0.97 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1ngk h PHE 22 CO 0.07 -0.55 -0.19 1.88 -2.23 0.00 0.00 178.31 177.28 1ngk h TYR 23 N -0.70 0.00 -0.46 0.41 0.05 -0.84 -1.51 116.97 113.92 1ngk h TYR 23 Ca 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1ngk h TYR 23 Cb 0.72 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 1ngk h TYR 23 CO -0.40 0.19 0.03 0.00 -1.05 0.00 0.00 178.16 176.93 1ngk h ALA 24 N 1.81 1.19 -0.28 3.88 0.00 -1.06 -2.57 119.26 122.23 1ngk h ALA 24 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1ngk h ALA 24 Cb 0.60 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ngk h ALA 24 CO 0.02 0.54 -0.28 1.96 0.00 0.00 0.00 179.25 181.49 1ngk h GLN 25 N 0.70 0.68 -0.91 0.00 4.20 -0.91 -3.22 115.11 115.65 1ngk h GLN 25 Ca 0.14 -0.36 0.15 0.00 0.06 0.00 0.00 58.65 58.65 1ngk h GLN 25 Cb 0.39 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.09 1ngk h GLN 25 CO 0.01 0.97 0.51 0.28 -0.67 0.00 0.00 178.83 179.93 1ngk h VAL 26 N 0.41 0.75 -0.06 -0.54 2.07 -1.19 0.05 116.25 117.75 1ngk h VAL 26 Ca 0.04 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1ngk h VAL 26 Cb 0.84 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ngk h VAL 26 CO 0.07 0.13 0.06 0.00 0.02 0.00 0.00 177.57 177.85 1ngk h ALA 27 N 1.57 1.71 -0.01 1.67 0.00 -1.47 -2.05 119.26 120.68 1ngk h ALA 27 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ngk h ALA 27 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ngk h ALA 27 CO -0.35 -0.09 -0.10 0.39 0.00 0.00 0.00 179.25 179.10 1ngk n GLU 28 N -3.99 1.28 -3.08 0.00 -0.58 -0.09 -4.87 120.64 109.31 1ngk n GLU 28 Ca -0.02 -1.12 -0.43 0.00 -0.42 0.00 0.00 57.16 55.17 1ngk n GLU 28 Cb 0.16 -1.24 -0.06 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 -1.35 6.36 0.24 1.62 3.68 -0.63 -4.94 116.67 121.65 1ngk s ASP 29 Ca 0.15 -0.21 -0.05 0.00 2.13 0.00 0.00 52.55 54.57 1ngk s ASP 29 Cb 0.11 -2.33 0.36 0.00 -1.45 0.00 0.00 42.92 39.61 1ngk s ASP 29 CO 0.23 -0.77 1.84 -0.33 0.13 0.00 0.00 175.17 176.27 1ngk h GLU 30 N 8.82 0.88 0.09 4.34 4.39 -1.90 0.46 114.58 131.66 1ngk h GLU 30 Ca -0.25 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.40 1ngk h GLU 30 Cb 1.10 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1ngk h GLU 30 CO 0.90 0.58 -0.13 0.28 -1.16 0.00 0.00 179.01 179.47 1ngk h VAL 31 N 0.90 0.69 0.01 3.13 2.07 -1.94 -2.87 116.25 118.26 1ngk h VAL 31 Ca 0.38 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.70 1ngk h VAL 31 Cb 0.25 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1ngk h VAL 31 CO -0.20 0.00 -0.92 -0.07 0.02 0.00 0.00 177.57 176.40 1ngk h LEU 32 N -0.27 0.16 -1.54 2.57 3.38 -1.61 -3.06 115.31 114.94 1ngk h LEU 32 Ca 0.02 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.93 1ngk h LEU 32 Cb 0.28 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1ngk h LEU 32 CO -0.06 0.99 0.43 -0.09 0.09 0.00 0.00 178.44 179.80 1ngk h ARG 33 N 0.06 0.52 -0.10 1.13 2.43 -0.10 -1.29 114.38 117.03 1ngk h ARG 33 Ca -0.04 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 1ngk h ARG 33 Cb 1.58 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 1ngk h ARG 33 CO 0.13 0.34 -0.65 0.00 -1.51 0.00 0.00 179.97 178.29 1ngk h ARG 34 N 0.53 0.37 0.09 0.20 3.08 -1.40 -3.34 114.38 113.91 1ngk h ARG 34 Ca 0.29 -0.27 -0.31 0.00 0.07 0.00 0.00 59.98 59.77 1ngk h ARG 34 Cb 0.45 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1ngk h ARG 34 CO -0.09 0.89 -1.61 -0.39 -1.07 0.00 0.00 179.97 177.70 1ngk h VAL 35 N 0.27 1.04 -3.14 2.04 -1.51 -1.37 -3.46 116.25 110.13 1ngk h VAL 35 Ca -0.01 -2.74 -0.53 0.00 -1.23 0.00 0.00 66.70 62.19 1ngk h VAL 35 Cb 1.19 2.65 0.02 0.00 -2.13 0.00 0.00 31.29 33.02 1ngk h VAL 35 CO 0.11 0.77 0.64 -0.31 -1.23 0.00 0.00 177.57 177.55 1ngk s TYR 36 N -2.61 3.34 -0.66 5.19 1.51 -0.56 -4.92 117.35 118.63 1ngk s TYR 36 Ca -0.10 1.14 -0.26 0.00 -1.01 0.00 0.00 57.07 56.85 1ngk s TYR 36 Cb 0.07 -3.55 -0.09 0.00 -0.11 0.00 0.00 41.96 38.27 1ngk s TYR 36 CO 0.83 -1.83 2.32 -2.14 -1.11 0.00 0.00 175.55 173.63 1ngk s PRO 37 N 0.91 1.96 0.43 -1.71 0.02 -1.26 -4.79 135.00 130.56 1ngk s PRO 37 Ca 0.61 0.80 0.00 0.00 0.02 0.00 0.00 61.00 62.43 1ngk s PRO 37 Cb -0.34 -4.70 0.00 0.00 0.02 0.00 0.00 34.50 29.49 1ngk s PRO 37 CO 0.31 -3.75 0.76 -0.85 -0.33 0.00 0.00 177.00 173.14 1ngk n GLU 38 N 8.93 0.02 0.10 5.54 0.28 -1.26 -1.84 120.64 132.42 1ngk n GLU 38 Ca 0.40 0.62 0.12 0.00 -0.16 0.00 0.00 57.16 58.14 1ngk n GLU 38 Cb 0.49 -2.12 0.07 0.00 1.43 0.00 0.00 31.44 31.31 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 -2.03 -1.84 3.32 -2.00 -3.40 116.42 110.47 1ngk h ASP 39 Ca 0.00 -0.06 -0.54 0.00 0.02 0.00 0.00 57.03 56.44 1ngk h ASP 39 Cb 1.53 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.68 1ngk h ASP 39 CO 0.00 0.03 -1.06 -0.67 -1.72 0.00 0.00 179.24 175.82 1ngk n ASP 40 N -2.55 0.98 0.09 6.45 2.03 -0.77 -4.89 116.55 117.88 1ngk n ASP 40 Ca 0.01 -2.92 -0.19 0.00 0.52 0.00 0.00 54.79 52.22 1ngk n ASP 40 Cb 0.51 -0.63 -0.11 0.00 -0.72 0.00 0.00 41.12 40.17 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 3.64 0.69 -0.54 -2.67 3.38 -1.80 -1.65 115.31 116.36 1ngk h LEU 41 Ca 0.10 -0.64 0.09 0.00 0.09 0.00 0.00 57.88 57.52 1ngk h LEU 41 Cb 0.87 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1ngk h LEU 41 CO 0.53 1.46 0.14 0.00 0.09 0.00 0.00 178.44 180.66 1ngk h ALA 42 N 0.47 0.64 -0.40 1.53 0.00 -1.97 -0.63 119.26 118.90 1ngk h ALA 42 Ca -0.15 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ngk h ALA 42 Cb 1.84 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1ngk h ALA 42 CO 0.21 -0.27 0.04 0.78 0.00 0.00 0.00 179.25 180.01 1ngk h GLY 43 N 0.29 0.74 1.00 0.00 0.00 -1.94 -1.02 103.07 102.15 1ngk h GLY 43 Ca 0.27 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.09 1ngk h GLY 43 CO -0.32 0.48 0.47 0.00 0.00 0.00 0.00 176.54 177.17 1ngk h ALA 44 N 0.91 0.91 -0.10 3.60 0.00 -1.15 -0.85 119.26 122.58 1ngk h ALA 44 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ngk h ALA 44 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ngk h ALA 44 CO 0.01 0.33 0.06 1.49 0.00 0.00 0.00 179.25 181.14 1ngk h GLU 45 N 0.97 0.14 -0.66 0.00 4.81 -0.96 -1.47 114.58 117.41 1ngk h GLU 45 Ca 0.26 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1ngk h GLU 45 Cb -0.11 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1ngk h GLU 45 CO -0.06 0.12 0.39 1.49 -0.73 0.00 0.00 179.01 180.22 1ngk h GLU 46 N 0.11 0.90 -0.43 1.92 4.81 -0.94 -0.41 114.58 120.55 1ngk h GLU 46 Ca 0.04 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1ngk h GLU 46 Cb 0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1ngk h GLU 46 CO -0.01 0.66 -0.12 0.00 -0.73 0.00 0.00 179.01 178.81 1ngk h ARG 47 N 0.90 0.84 -0.52 1.92 3.08 -1.07 -0.72 114.38 118.81 1ngk h ARG 47 Ca 0.23 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1ngk h ARG 47 Cb -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1ngk h ARG 47 CO -0.04 0.96 0.24 1.25 -1.07 0.00 0.00 179.97 181.31 1ngk h LEU 48 N 0.67 0.70 -0.14 3.04 5.85 -1.12 -1.60 115.31 122.71 1ngk h LEU 48 Ca 0.11 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ngk h LEU 48 Cb 0.66 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ngk h LEU 48 CO 0.05 0.64 0.09 -0.09 -0.34 0.00 0.00 178.44 178.79 1ngk h ARG 49 N 0.70 0.19 -0.77 1.25 2.43 -0.96 -1.88 114.38 115.34 1ngk h ARG 49 Ca 0.18 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1ngk h ARG 49 Cb 0.14 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1ngk h ARG 49 CO -0.02 0.14 0.48 0.52 -1.51 0.00 0.00 179.97 179.58 1ngk h MET 50 N 0.18 0.91 -0.09 0.20 2.86 -0.99 -0.85 114.93 117.16 1ngk h MET 50 Ca 0.05 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ngk h MET 50 Cb -0.01 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 1ngk h MET 50 CO -0.01 0.60 0.05 0.35 1.06 0.00 0.00 176.91 178.97 1ngk h PHE 51 N 0.94 0.13 -0.68 -0.22 3.57 -1.07 -1.75 116.94 117.85 1ngk h PHE 51 Ca 0.31 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 1ngk h PHE 51 Cb 0.02 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1ngk h PHE 51 CO -0.03 0.14 0.37 -0.07 -2.23 0.00 0.00 178.31 176.48 1ngk h LEU 52 N 0.07 0.86 -0.45 0.59 3.38 -1.01 0.21 115.31 118.97 1ngk h LEU 52 Ca 0.03 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ngk h LEU 52 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1ngk h LEU 52 CO -0.01 0.72 0.24 -0.33 0.09 0.00 0.00 178.44 179.16 1ngk h GLU 53 N 0.94 0.47 -0.16 1.13 5.08 -1.02 -2.14 114.58 118.88 1ngk h GLU 53 Ca 0.24 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1ngk h GLU 53 Cb 0.06 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ngk h GLU 53 CO -0.04 0.31 -0.07 0.37 -1.00 0.00 0.00 179.01 178.59 1ngk h GLN 54 N 0.49 0.33 -0.72 2.33 4.15 -0.92 0.30 115.11 121.07 1ngk h GLN 54 Ca 0.19 -0.14 0.15 0.00 0.77 0.00 0.00 58.65 59.62 1ngk h GLN 54 Cb 0.06 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.64 1ngk h GLN 54 CO -0.11 0.64 0.20 -0.92 -1.93 0.00 0.00 178.83 176.71 1ngk h TYR 55 N 0.01 0.32 -0.16 3.99 5.03 -0.35 -0.63 116.97 125.20 1ngk h TYR 55 Ca 0.04 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1ngk h TYR 55 Cb 0.54 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.79 1ngk h TYR 55 CO 0.06 -0.04 0.00 0.91 -1.32 0.00 0.00 178.16 177.77 1ngk n TRP 56 N -5.11 0.20 0.00 -3.82 7.02 -0.83 -4.86 117.44 110.04 1ngk n TRP 56 Ca 0.13 -0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1ngk n TRP 56 Cb 0.43 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 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 0.99 1.23 0.00 6.99 0.00 -0.24 -2.16 105.19 111.98 1ngk n GLY 57 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.33 1.18 3.63 -0.02 0.00 0.11 -4.88 105.19 103.88 1ngk n GLY 58 Ca 0.00 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 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 0.64 -0.49 1.61 -0.02 -1.26 -4.61 135.00 130.87 1ngk n PRO 59 Ca 0.00 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 1ngk n PRO 59 Cb 0.00 -2.25 0.24 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.75 3.14 -0.27 -0.52 1.74 -1.26 -3.51 116.66 114.22 1ngk n ARG 60 Ca 0.14 -1.86 0.07 0.00 -0.77 0.00 0.00 57.85 55.43 1ngk n ARG 60 Cb 0.49 -1.86 0.31 0.00 -1.02 0.00 0.00 32.46 30.38 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 2.47 0.96 0.46 0.55 2.02 -1.91 -1.87 112.91 115.59 1ngk h THR 61 Ca 0.00 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1ngk h THR 61 Cb 1.26 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1ngk h THR 61 CO 0.25 0.16 -0.51 0.22 0.37 0.00 0.00 175.52 176.00 1ngk h TYR 62 N 0.86 -1.43 0.00 3.16 3.20 -1.79 -1.21 116.97 119.75 1ngk h TYR 62 Ca 0.40 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.22 1ngk h TYR 62 Cb 0.42 0.56 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1ngk h TYR 62 CO -0.00 -0.67 -0.34 0.66 -1.64 0.00 0.00 178.16 176.17 1ngk h SER 63 N -0.98 0.00 -0.66 -2.11 4.64 -1.69 0.36 113.55 113.11 1ngk h SER 63 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1ngk h SER 63 Cb 0.86 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 1ngk h SER 63 CO -0.09 0.34 0.36 -0.33 -0.87 0.00 0.00 176.83 176.24 1ngk h GLU 64 N 0.00 0.94 0.00 4.77 5.08 -1.00 0.15 114.58 124.52 1ngk h GLU 64 Ca -0.00 -0.10 -0.22 0.00 -1.00 0.00 0.00 59.36 58.03 1ngk h GLU 64 Cb 0.66 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1ngk h GLU 64 CO 0.04 0.70 -1.97 1.04 -1.00 0.00 0.00 179.01 177.82 1ngk n GLN 65 N -4.37 0.66 -0.00 2.33 6.02 -0.49 -4.58 117.38 116.96 1ngk n GLN 65 Ca 0.07 0.03 0.02 0.00 -0.01 0.00 0.00 57.00 57.11 1ngk n GLN 65 Cb 0.10 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 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 -2.70 5.25 0.00 -1.09 5.12 0.12 -5.10 116.66 118.26 1ngk n ARG 66 Ca -0.19 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1ngk n ARG 66 Cb 0.93 -0.75 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 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 1.13 -2.07 3.74 -0.13 0.00 0.04 -4.86 105.19 103.05 1ngk n GLY 67 Ca 0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 2.88 -1.72 1.61 -0.00 -1.26 -4.31 115.22 112.41 1ngk n HIS 68 Ca 0.00 0.21 -0.42 0.00 -0.00 0.00 0.00 57.72 57.51 1ngk n HIS 68 Cb 0.00 -2.62 -0.03 0.00 -0.00 0.00 0.00 29.99 27.34 1ngk n HIS 68 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1ngk n PRO 69 N 2.47 2.74 -3.17 1.57 -0.02 -1.26 -4.94 135.00 132.40 1ngk n PRO 69 Ca 0.10 0.99 -0.20 0.00 -2.02 0.00 0.00 63.50 62.37 1ngk n PRO 69 Cb 0.37 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.00 1ngk n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ngk n ARG 70 N 3.46 1.21 -0.15 -0.52 1.74 -1.26 -5.02 116.66 116.13 1ngk n ARG 70 Ca 0.14 -3.54 -0.08 0.00 -0.77 0.00 0.00 57.85 53.59 1ngk n ARG 70 Cb 0.35 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 3.09 0.58 -0.46 0.55 4.07 -1.98 -0.31 115.31 120.86 1ngk h LEU 71 Ca 0.10 -0.13 0.05 0.00 0.08 0.00 0.00 57.88 57.98 1ngk h LEU 71 Cb 0.91 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.45 1ngk h LEU 71 CO 0.53 0.55 0.19 -0.09 -1.08 0.00 0.00 178.44 178.55 1ngk h ARG 72 N 0.57 0.37 -0.27 1.13 2.43 -1.95 0.20 114.38 116.86 1ngk h ARG 72 Ca 0.15 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 1ngk h ARG 72 Cb 0.13 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1ngk h ARG 72 CO -0.02 0.25 -0.36 1.98 -1.51 0.00 0.00 179.97 180.30 1ngk h MET 73 N 0.38 0.59 0.00 0.20 4.05 -1.89 -1.16 114.93 117.10 1ngk h MET 73 Ca 0.21 -0.28 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 1ngk h MET 73 Cb 0.18 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1ngk h MET 73 CO -0.19 0.87 -0.26 0.00 0.23 0.00 0.00 176.91 177.56 1ngk h ARG 74 N 0.50 0.00 0.00 0.39 2.47 -0.59 -2.70 114.38 114.45 1ngk h ARG 74 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1ngk h ARG 74 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1ngk h ARG 74 CO 0.07 0.26 -0.48 0.45 0.56 0.00 0.00 179.97 180.84 1ngk h HIS 75 N 0.00 0.00 -0.76 3.04 3.86 -0.71 -3.41 115.15 117.18 1ngk h HIS 75 Ca -0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 1ngk h HIS 75 Cb 0.83 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.25 1ngk h HIS 75 CO 0.00 0.00 0.51 0.00 0.86 0.00 0.00 177.93 179.30 1ngk h ALA 76 N 2.41 2.08 0.00 2.45 0.00 -0.87 -0.01 119.26 125.32 1ngk h ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ngk h ALA 76 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ngk h ALA 76 CO 0.00 -0.28 0.00 -1.35 0.00 0.00 0.00 179.25 177.62 1ngk h PRO 77 N 0.44 0.00 -6.18 0.00 0.11 -1.79 -3.44 132.00 121.15 1ngk h PRO 77 Ca 0.37 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.81 1ngk h PRO 77 Cb 0.82 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.76 1ngk h PRO 77 CO -0.12 0.00 -0.67 -0.06 -0.21 0.00 0.00 178.00 176.93 1ngk s PHE 78 N -3.76 2.99 -0.75 0.65 0.40 -0.02 -5.06 117.98 112.43 1ngk s PHE 78 Ca -0.02 0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.11 1ngk s PHE 78 Cb 0.10 -1.67 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1ngk s PHE 78 CO 0.37 0.40 1.14 1.03 0.70 0.00 0.00 175.22 178.86 1ngk s ARG 79 N -1.28 3.23 -0.63 0.44 0.52 -1.26 -4.88 118.95 115.09 1ngk s ARG 79 Ca 0.16 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.55 1ngk s ARG 79 Cb -0.11 -4.39 0.16 0.00 0.52 0.00 0.00 34.95 31.13 1ngk s ARG 79 CO 0.07 -1.97 0.51 0.42 0.02 0.00 0.00 175.30 174.34 1ngk s ILE 80 N 4.64 4.55 0.51 1.52 1.01 -1.26 -4.91 121.20 127.26 1ngk s ILE 80 Ca 0.30 -2.32 -0.01 0.00 0.00 0.00 0.00 60.65 58.62 1ngk s ILE 80 Cb -0.11 -3.91 0.10 0.00 0.01 0.00 0.00 42.46 38.55 1ngk s ILE 80 CO 0.08 -0.89 0.70 -1.54 0.00 0.00 0.00 174.94 173.29 1ngk n SER 81 N 4.23 0.85 0.04 3.58 3.41 -1.25 -0.85 113.62 123.63 1ngk n SER 81 Ca 0.03 -1.74 0.13 0.00 -0.26 0.00 0.00 58.87 57.03 1ngk n SER 81 Cb 0.42 -0.46 0.60 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.15 -0.18 1.04 3.38 -1.90 -0.91 115.31 116.90 1ngk h LEU 82 Ca -0.23 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1ngk h LEU 82 Cb 0.83 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1ngk h LEU 82 CO 0.24 0.09 -0.04 0.40 0.09 0.00 0.00 178.44 179.23 1ngk h ILE 83 N 0.17 1.28 -0.43 1.22 2.04 -1.95 -0.76 117.51 119.07 1ngk h ILE 83 Ca 0.18 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1ngk h ILE 83 Cb 0.51 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1ngk h ILE 83 CO -0.03 0.30 0.11 -0.33 0.00 0.00 0.00 178.15 178.20 1ngk h GLU 84 N 0.06 0.68 -0.42 2.37 3.07 -1.79 -1.96 114.58 116.58 1ngk h GLU 84 Ca 0.05 -0.16 0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1ngk h GLU 84 Cb 0.47 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 28.22 1ngk h GLU 84 CO 0.02 0.68 0.03 -0.09 -1.40 0.00 0.00 179.01 178.25 1ngk h ARG 85 N 0.55 0.14 -0.53 2.33 2.43 -1.07 -0.65 114.38 117.59 1ngk h ARG 85 Ca 0.14 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1ngk h ARG 85 Cb 0.30 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1ngk h ARG 85 CO 0.00 0.09 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.07 1ngk h ASP 86 N 0.14 0.91 -0.37 -3.80 3.32 -1.00 -0.21 116.42 115.41 1ngk h ASP 86 Ca 0.21 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1ngk h ASP 86 Cb 0.28 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1ngk h ASP 86 CO -0.32 0.99 -0.02 0.00 -1.72 0.00 0.00 179.24 178.18 1ngk h ALA 87 N 1.10 0.51 -0.15 3.45 0.00 -1.07 0.18 119.26 123.28 1ngk h ALA 87 Ca 0.15 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ngk h ALA 87 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ngk h ALA 87 CO 0.03 0.29 0.04 2.35 0.00 0.00 0.00 179.25 181.96 1ngk h TRP 88 N 0.49 0.07 -0.65 0.00 7.01 -0.94 -1.34 115.95 120.58 1ngk h TRP 88 Ca 0.10 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1ngk h TRP 88 Cb 0.49 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 1ngk h TRP 88 CO 0.04 0.03 0.31 -0.07 -2.79 0.00 0.00 178.44 175.96 1ngk h LEU 89 N 0.10 0.86 -0.37 0.65 3.38 -0.90 -1.10 115.31 117.93 1ngk h LEU 89 Ca 0.06 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ngk h LEU 89 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1ngk h LEU 89 CO -0.08 0.76 0.17 -0.09 0.09 0.00 0.00 178.44 179.29 1ngk h ARG 90 N 0.90 0.34 -0.68 1.13 2.43 -0.36 -0.40 114.38 117.75 1ngk h ARG 90 Ca 0.22 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1ngk h ARG 90 Cb 0.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1ngk h ARG 90 CO -0.03 0.23 0.33 0.00 -1.51 0.00 0.00 179.97 178.99 1ngk h MET 92 N 0.94 0.33 -0.78 0.00 1.85 -0.86 -0.41 114.93 116.02 1ngk h MET 92 Ca 0.23 -0.06 0.07 0.00 -0.61 0.00 0.00 59.70 59.33 1ngk h MET 92 Cb 0.11 -0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.03 1ngk h MET 92 CO -0.03 0.40 0.46 0.45 -0.40 0.00 0.00 176.91 177.78 1ngk h HIS 93 N 0.20 0.84 -0.48 1.39 -0.00 -0.91 0.18 115.15 116.37 1ngk h HIS 93 Ca 0.07 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1ngk h HIS 93 Cb 0.19 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1ngk h HIS 93 CO -0.01 0.40 -0.03 1.15 -0.00 0.00 0.00 177.93 179.44 1ngk h THR 94 N 0.82 1.25 -0.26 2.45 2.02 -0.97 0.58 112.91 118.80 1ngk h THR 94 Ca 0.35 -1.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.38 1ngk h THR 94 Cb 0.22 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1ngk h THR 94 CO -0.19 0.37 -0.19 0.00 0.37 0.00 0.00 175.52 175.88 1ngk h ALA 95 N 1.21 0.38 -0.69 6.16 0.00 -0.46 -3.19 119.26 122.67 1ngk h ALA 95 Ca 0.14 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1ngk h ALA 95 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ngk h ALA 95 CO 0.03 0.30 0.18 0.28 0.00 0.00 0.00 179.25 180.04 1ngk h VAL 96 N 0.31 1.26 0.00 0.00 2.07 -0.40 -2.45 116.25 117.03 1ngk h VAL 96 Ca 0.05 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1ngk h VAL 96 Cb 0.73 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1ngk h VAL 96 CO 0.05 0.36 0.13 0.00 0.02 0.00 0.00 177.57 178.13 1ngk h ALA 97 N 1.15 1.13 -0.00 1.67 0.00 -0.88 -1.54 119.26 120.79 1ngk h ALA 97 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ngk h ALA 97 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ngk h ALA 97 CO -0.00 -0.13 -0.07 -1.13 0.00 0.00 0.00 179.25 177.92 1ngk n SER 98 N -2.88 0.08 -4.75 0.00 3.41 -0.92 -4.78 113.62 103.79 1ngk n SER 98 Ca -0.02 0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 58.55 1ngk n SER 98 Cb 0.19 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.97 5.17 0.82 -1.33 -1.09 -0.58 -5.06 121.20 116.16 1ngk s ILE 99 Ca 0.15 0.86 -0.12 0.00 -2.23 0.00 0.00 60.65 59.31 1ngk s ILE 99 Cb 0.19 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.39 1ngk s ILE 99 CO 0.55 0.39 1.12 1.51 -1.23 0.00 0.00 174.94 177.28 1ngk s ASP 100 N 0.24 4.31 0.47 3.58 3.84 -1.26 -4.80 116.67 123.05 1ngk s ASP 100 Ca 0.24 1.10 0.27 0.00 -0.00 0.00 0.00 52.55 54.15 1ngk s ASP 100 Cb -0.15 -1.75 0.80 0.00 -1.38 0.00 0.00 42.92 40.44 1ngk s ASP 100 CO 0.10 -2.06 1.77 0.77 -0.00 0.00 0.00 175.17 175.75 1ngk h SER 101 N -1.16 0.00 -0.51 2.11 4.64 -1.98 -0.59 113.55 116.07 1ngk h SER 101 Ca -0.48 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.72 1ngk h SER 101 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 1ngk h SER 101 CO 0.62 0.08 -0.17 -0.08 -0.87 0.00 0.00 176.83 176.41 1ngk h GLU 102 N 0.00 1.01 0.05 4.77 4.57 -1.98 -3.07 114.58 119.93 1ngk h GLU 102 Ca -0.00 -0.41 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1ngk h GLU 102 Cb 0.81 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1ngk h GLU 102 CO 0.01 1.09 -0.02 1.15 -1.18 0.00 0.00 179.01 180.06 1ngk h THR 103 N 0.89 1.11 -3.51 0.32 2.02 -1.88 -3.42 112.91 108.44 1ngk h THR 103 Ca 0.12 -1.63 -0.67 0.00 0.77 0.00 0.00 66.41 65.00 1ngk h THR 103 Cb 0.74 2.02 -0.38 0.00 -1.74 0.00 0.00 68.15 68.79 1ngk h THR 103 CO 0.06 0.35 -0.56 -0.22 0.37 0.00 0.00 175.52 175.51 1ngk s LEU 104 N -8.57 4.84 0.99 2.58 0.20 -0.25 -4.45 118.68 114.02 1ngk s LEU 104 Ca -0.13 -2.59 -0.13 0.00 0.69 0.00 0.00 54.13 51.97 1ngk s LEU 104 Cb -0.01 -1.73 0.18 0.00 -0.43 0.00 0.00 46.19 44.20 1ngk s LEU 104 CO 0.48 -0.36 1.12 1.51 -0.29 0.00 0.00 176.35 178.81 1ngk s ASP 105 N 0.65 2.78 0.21 3.68 3.84 -1.16 -4.23 116.67 122.44 1ngk s ASP 105 Ca 0.14 0.98 -0.10 0.00 -0.00 0.00 0.00 52.55 53.57 1ngk s ASP 105 Cb -0.22 -1.53 0.26 0.00 -1.38 0.00 0.00 42.92 40.04 1ngk s ASP 105 CO -0.04 -3.01 1.76 0.44 -0.00 0.00 0.00 175.17 174.33 1ngk h ASP 106 N -1.81 0.31 -0.37 2.11 3.32 -1.98 -0.11 116.42 117.89 1ngk h ASP 106 Ca -0.52 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 1ngk h ASP 106 Cb 1.33 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1ngk h ASP 106 CO 0.56 0.19 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.75 1ngk h GLU 107 N 0.47 0.86 -0.14 3.56 5.08 -1.99 -1.69 114.58 120.73 1ngk h GLU 107 Ca 0.30 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1ngk h GLU 107 Cb 0.33 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ngk h GLU 107 CO -0.27 0.98 -0.54 0.45 -1.00 0.00 0.00 179.01 178.63 1ngk h HIS 108 N 0.75 0.82 -0.30 4.33 3.86 -1.79 -1.34 115.15 121.47 1ngk h HIS 108 Ca 0.11 -0.35 0.06 0.00 -1.16 0.00 0.00 60.37 59.03 1ngk h HIS 108 Cb 0.73 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 1ngk h HIS 108 CO 0.04 1.13 -0.04 -0.09 0.86 0.00 0.00 177.93 179.84 1ngk h ARG 109 N 0.27 0.04 -0.23 2.45 2.43 -1.01 0.21 114.38 118.54 1ngk h ARG 109 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ngk h ARG 109 Cb 1.18 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1ngk h ARG 109 CO 0.11 0.03 0.15 -0.09 -1.51 0.00 0.00 179.97 178.66 1ngk h ARG 110 N 0.05 0.31 -0.43 0.20 9.65 -1.27 -0.68 114.38 122.20 1ngk h ARG 110 Ca 0.15 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1ngk h ARG 110 Cb 0.21 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1ngk h ARG 110 CO -0.28 0.21 0.22 1.49 2.80 0.00 0.00 179.97 184.41 1ngk h GLU 111 N 0.31 0.43 0.17 0.20 4.81 -0.65 -0.06 114.58 119.78 1ngk h GLU 111 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1ngk h GLU 111 Cb -0.03 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1ngk h GLU 111 CO -0.02 0.28 -0.08 1.25 -0.73 0.00 0.00 179.01 179.72 1ngk h LEU 112 N 0.44 -0.19 -1.06 1.64 5.85 -0.36 -1.79 115.31 119.84 1ngk h LEU 112 Ca 0.18 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ngk h LEU 112 Cb 0.08 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1ngk h LEU 112 CO -0.12 -0.01 0.59 -0.07 -0.34 0.00 0.00 178.44 178.48 1ngk h LEU 113 N -0.36 1.07 -0.48 2.25 3.38 -1.04 -1.41 115.31 118.72 1ngk h LEU 113 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ngk h LEU 113 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ngk h LEU 113 CO 0.04 0.79 0.29 0.44 0.09 0.00 0.00 178.44 180.09 1ngk h ASP 114 N 1.25 0.58 -0.04 -0.43 3.45 -0.87 -1.29 116.42 119.07 1ngk h ASP 114 Ca 0.33 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1ngk h ASP 114 Cb -0.11 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.51 1ngk h ASP 114 CO -0.07 0.47 0.03 0.22 -1.57 0.00 0.00 179.24 178.32 1ngk h TYR 115 N 0.65 0.05 -0.71 4.55 5.03 -0.75 -2.45 116.97 123.34 1ngk h TYR 115 Ca 0.17 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.42 1ngk h TYR 115 Cb -0.00 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.23 1ngk h TYR 115 CO -0.03 0.03 0.18 -0.07 -1.32 0.00 0.00 178.16 176.96 1ngk h LEU 116 N 0.06 1.07 0.20 2.82 3.38 -0.96 0.10 115.31 121.97 1ngk h LEU 116 Ca 0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ngk h LEU 116 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1ngk h LEU 116 CO -0.00 1.02 -0.14 -0.08 0.09 0.00 0.00 178.44 179.32 1ngk h GLU 117 N 1.07 -0.33 -0.39 1.13 4.81 -1.23 -0.04 114.58 119.60 1ngk h GLU 117 Ca 0.22 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1ngk h GLU 117 Cb 0.36 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1ngk h GLU 117 CO 0.00 -0.22 0.24 1.98 -0.73 0.00 0.00 179.01 180.28 1ngk h MET 118 N -0.34 0.48 -0.51 1.92 4.05 -0.98 -1.69 114.93 117.85 1ngk h MET 118 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1ngk h MET 118 Cb 0.30 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1ngk h MET 118 CO -0.00 0.31 0.28 0.00 0.23 0.00 0.00 176.91 177.73 1ngk h ALA 119 N 1.16 0.65 -0.41 0.39 0.00 -0.71 -1.98 119.26 118.37 1ngk h ALA 119 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ngk h ALA 119 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ngk h ALA 119 CO -0.05 0.18 0.09 0.00 0.00 0.00 0.00 179.25 179.47 1ngk h ALA 120 N 1.12 0.53 -0.88 0.00 0.00 -0.69 -2.31 119.26 117.03 1ngk h ALA 120 Ca 0.18 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ngk h ALA 120 Cb 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1ngk h ALA 120 CO -0.03 0.22 0.55 0.45 0.00 0.00 0.00 179.25 180.44 1ngk h HIS 121 N 0.52 1.01 0.00 0.00 3.86 -1.26 -2.17 115.15 117.11 1ngk h HIS 121 Ca 0.13 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1ngk h HIS 121 Cb 0.32 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ngk h HIS 121 CO 0.02 0.50 0.00 0.43 0.86 0.00 0.00 177.93 179.74 1ngk n SER 122 N -4.62 0.26 -0.33 2.45 7.64 -0.75 -2.80 113.62 115.48 1ngk n SER 122 Ca 0.13 0.57 0.08 0.00 1.01 0.00 0.00 58.87 60.66 1ngk n SER 122 Cb 0.20 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.52 -4.68 -3.43 4.77 -0.82 -4.96 117.00 107.61 1ngk n LEU 123 Ca 0.02 -0.75 -0.46 0.00 -0.03 0.00 0.00 56.01 54.80 1ngk n LEU 123 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1ngk n LEU 123 CO 0.13 0.30 1.25 0.52 -1.33 0.00 0.00 177.39 178.25 1ngk n VAL 124 N -0.22 0.06 -1.59 4.08 0.31 -1.12 -4.85 118.33 115.00 1ngk n VAL 124 Ca 0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1ngk n VAL 124 Cb 0.32 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 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 3.83 0.00 -3.67 4.52 2.04 -0.03 -5.03 115.26 116.92 1ngk n ASN 125 Ca 0.17 -1.54 -0.14 0.00 -0.44 0.00 0.00 54.58 52.63 1ngk n ASN 125 Cb 0.30 -0.11 -0.08 0.00 -2.53 0.00 0.00 39.78 37.36 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 -0.54 -0.52 0.45 0.53 0.15 -1.01 -4.73 113.70 108.03 1ngk s SER 126 Ca 0.00 0.87 0.27 0.00 0.70 0.00 0.00 55.95 57.79 1ngk s SER 126 Cb 0.00 0.88 0.79 0.00 -1.71 0.00 0.00 66.02 65.98 1ngk s SER 126 CO 0.00 -0.31 1.77 1.55 1.20 0.00 0.00 173.24 177.45 1ngk h PRO 127 N 4.65 0.00 0.00 5.44 0.14 -1.99 -3.32 132.00 136.92 1ngk h PRO 127 Ca -0.28 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.86 1ngk h PRO 127 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1ngk h PRO 127 CO 0.24 0.00 0.00 1.97 0.14 0.00 0.00 178.00 180.35