#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngk n LYS 3 N 0.00 0.25 -1.03 -0.52 4.76 -1.26 -4.64 118.16 115.72 1ngk n LYS 3 Ca 0.00 0.10 -0.32 0.00 -2.87 0.00 0.00 58.31 55.21 1ngk n LYS 3 Cb 0.00 -0.90 0.13 0.00 -1.84 0.00 0.00 35.03 32.43 1ngk n LYS 3 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ngk s SER 4 N -5.16 3.51 0.27 4.39 1.04 -1.26 -4.70 113.70 111.78 1ngk s SER 4 Ca -0.14 2.26 -0.00 0.00 0.48 0.00 0.00 55.95 58.56 1ngk s SER 4 Cb 0.02 -2.58 0.54 0.00 0.10 0.00 0.00 66.02 64.10 1ngk s SER 4 CO 0.20 -2.72 1.78 0.15 0.98 0.00 0.00 173.24 173.64 1ngk h PHE 5 N -1.17 0.89 -0.35 5.02 3.57 -1.92 -0.36 116.94 122.62 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 1.28 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1ngk h PHE 5 CO 0.49 0.26 0.13 -0.92 -2.23 0.00 0.00 178.31 176.04 1ngk h TYR 6 N 0.74 0.23 -0.30 0.41 3.20 -1.49 -2.39 116.97 117.36 1ngk h TYR 6 Ca 0.47 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.21 1ngk h TYR 6 Cb 0.61 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1ngk h TYR 6 CO -0.06 0.10 -0.40 -0.44 -1.64 0.00 0.00 178.16 175.72 1ngk h ASP 7 N 0.28 0.88 -0.76 -2.11 3.32 -1.68 0.46 116.42 116.79 1ngk h ASP 7 Ca 0.16 -0.50 0.17 0.00 0.02 0.00 0.00 57.03 56.89 1ngk h ASP 7 Cb 0.13 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 1ngk h ASP 7 CO -0.16 1.20 0.52 0.00 -1.72 0.00 0.00 179.24 179.08 1ngk h ALA 8 N 0.70 2.29 -0.03 3.45 0.00 -0.69 -1.78 119.26 123.21 1ngk h ALA 8 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ngk h ALA 8 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ngk h ALA 8 CO 0.09 -0.51 -0.08 1.33 0.00 0.00 0.00 179.25 180.08 1ngk n VAL 9 N -4.44 0.00 0.00 0.00 0.24 -0.93 -4.65 118.33 108.54 1ngk n VAL 9 Ca 0.15 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1ngk n VAL 9 Cb 0.63 1.43 0.00 0.00 -1.47 0.00 0.00 33.84 34.43 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 1.36 1.06 7.00 7.63 0.00 -0.68 -4.66 105.19 116.89 1ngk n GLY 10 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.17 1.52 0.33 -0.02 0.00 0.16 -3.42 105.19 102.59 1ngk n GLY 11 Ca 0.00 -0.52 0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.79 1.87 -0.67 4.61 0.00 -1.97 0.31 119.26 122.62 1ngk h ALA 12 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ngk h ALA 12 Cb 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ngk h ALA 12 CO 0.00 -0.75 0.40 -0.22 0.00 0.00 0.00 179.25 178.68 1ngk h LYS 13 N 0.11 0.91 -0.10 0.00 3.64 -1.97 -0.73 116.57 118.43 1ngk h LYS 13 Ca 0.75 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.98 1ngk h LYS 13 Cb 1.83 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 1ngk h LYS 13 CO -0.74 0.65 -0.19 1.15 -2.27 0.00 0.00 179.45 178.05 1ngk h THR 14 N 0.91 1.40 -0.32 1.00 2.02 -1.05 -2.54 112.91 114.32 1ngk h THR 14 Ca 0.24 -1.48 -0.07 0.00 0.77 0.00 0.00 66.41 65.86 1ngk h THR 14 Cb -0.02 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1ngk h THR 14 CO -0.04 0.42 -0.11 -0.26 0.37 0.00 0.00 175.52 175.89 1ngk h PHE 15 N -0.15 0.60 -0.74 3.16 -1.00 -1.38 -0.26 116.94 117.17 1ngk h PHE 15 Ca 0.00 -0.09 -0.06 0.00 2.81 0.00 0.00 57.97 60.63 1ngk h PHE 15 Cb 0.78 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.15 1ngk h PHE 15 CO 0.11 0.65 0.24 0.22 -1.61 0.00 0.00 178.31 177.92 1ngk h ASP 16 N 0.51 1.07 -0.36 2.17 3.58 -1.14 -1.91 116.42 120.34 1ngk h ASP 16 Ca 0.09 -0.21 -0.09 0.00 0.42 0.00 0.00 57.03 57.25 1ngk h ASP 16 Cb 0.51 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1ngk h ASP 16 CO 0.03 0.99 -0.12 0.00 -2.88 0.00 0.00 179.24 177.26 1ngk h ALA 17 N 1.12 0.51 0.50 -0.78 0.00 -0.88 -0.58 119.26 119.14 1ngk h ALA 17 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ngk h ALA 17 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ngk h ALA 17 CO -0.01 0.39 -0.24 0.82 0.00 0.00 0.00 179.25 180.22 1ngk h ILE 18 N 0.52 0.47 -0.17 0.00 2.04 -1.02 -1.66 117.51 117.70 1ngk h ILE 18 Ca 0.09 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1ngk h ILE 18 Cb 0.65 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1ngk h ILE 18 CO 0.04 0.04 0.06 0.58 0.00 0.00 0.00 178.15 178.87 1ngk h VAL 19 N -0.83 1.18 -0.71 1.67 2.07 -1.38 0.41 116.25 118.65 1ngk h VAL 19 Ca -0.07 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1ngk h VAL 19 Cb 0.58 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1ngk h VAL 19 CO 0.11 0.17 0.40 -1.28 0.02 0.00 0.00 177.57 177.00 1ngk h SER 20 N 0.10 0.60 -0.33 0.57 0.87 -1.18 0.76 113.55 114.94 1ngk h SER 20 Ca 0.06 0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.48 1ngk h SER 20 Cb 0.21 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1ngk h SER 20 CO -0.00 0.38 -0.42 0.03 -0.53 0.00 0.00 176.83 176.29 1ngk h ARG 21 N 0.73 0.89 -0.21 2.24 3.08 -0.83 -2.22 114.38 118.06 1ngk h ARG 21 Ca 0.32 -0.49 0.06 0.00 0.07 0.00 0.00 59.98 59.94 1ngk h ARG 21 Cb 0.21 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1ngk h ARG 21 CO -0.19 1.13 -0.32 0.35 -1.07 0.00 0.00 179.97 179.87 1ngk h PHE 22 N 0.72 -0.89 0.00 3.04 3.57 0.35 -1.85 116.94 121.89 1ngk h PHE 22 Ca 0.05 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1ngk h PHE 22 Cb 1.01 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 1ngk h PHE 22 CO 0.06 -0.39 -0.19 1.88 -2.23 0.00 0.00 178.31 177.44 1ngk h TYR 23 N -0.35 0.00 -0.45 0.41 0.05 -0.67 0.12 116.97 116.07 1ngk h TYR 23 Ca 0.12 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 1ngk h TYR 23 Cb 0.54 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 1ngk h TYR 23 CO -0.44 0.19 -0.17 0.00 -1.05 0.00 0.00 178.16 176.69 1ngk h ALA 24 N 1.81 0.63 -0.64 3.88 0.00 -1.15 -2.27 119.26 121.52 1ngk h ALA 24 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1ngk h ALA 24 Cb 0.43 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ngk h ALA 24 CO 0.03 0.58 0.15 1.96 0.00 0.00 0.00 179.25 181.96 1ngk h GLN 25 N 0.75 1.03 -0.71 0.00 1.08 -0.33 -2.94 115.11 113.99 1ngk h GLN 25 Ca 0.11 -0.25 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1ngk h GLN 25 Cb 0.74 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 1ngk h GLN 25 CO 0.06 0.93 0.40 0.28 -0.95 0.00 0.00 178.83 179.55 1ngk h VAL 26 N 0.95 0.97 0.00 -0.54 2.07 -0.95 -1.74 116.25 117.00 1ngk h VAL 26 Ca 0.20 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1ngk h VAL 26 Cb 0.37 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1ngk h VAL 26 CO 0.00 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 177.67 1ngk h ALA 27 N 1.36 1.78 -0.69 1.67 0.00 -1.23 -0.68 119.26 121.48 1ngk h ALA 27 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ngk h ALA 27 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ngk h ALA 27 CO -0.19 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.53 1ngk n GLU 28 N -4.29 2.69 -3.39 0.00 1.02 -0.73 -4.84 120.64 111.10 1ngk n GLU 28 Ca -0.03 -2.62 -0.39 0.00 -0.02 0.00 0.00 57.16 54.11 1ngk n GLU 28 Cb 0.14 -1.57 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.08 6.35 0.42 1.62 2.15 -0.26 -4.96 116.67 120.90 1ngk s ASP 29 Ca 0.48 0.41 0.18 0.00 0.43 0.00 0.00 52.55 54.06 1ngk s ASP 29 Cb 0.25 -2.22 0.96 0.00 -0.30 0.00 0.00 42.92 41.61 1ngk s ASP 29 CO 0.34 -0.12 1.90 1.05 -0.17 0.00 0.00 175.17 178.16 1ngk h GLU 30 N 7.71 0.00 0.05 4.34 9.09 -1.90 -1.58 114.58 132.29 1ngk h GLU 30 Ca -0.34 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.07 1ngk h GLU 30 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1ngk h GLU 30 CO 0.69 0.28 -0.03 0.28 0.05 0.00 0.00 179.01 180.28 1ngk h VAL 31 N 0.00 0.96 0.00 -1.06 2.07 -1.93 -3.41 116.25 112.88 1ngk h VAL 31 Ca -0.00 -1.55 -0.15 0.00 0.82 0.00 0.00 66.70 65.82 1ngk h VAL 31 Cb 0.58 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1ngk h VAL 31 CO 0.04 0.30 -0.71 -0.07 0.02 0.00 0.00 177.57 177.15 1ngk h LEU 32 N -0.95 0.00 -2.45 2.57 3.38 -1.81 -3.24 115.31 112.81 1ngk h LEU 32 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ngk h LEU 32 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ngk h LEU 32 CO 0.01 0.69 -0.03 0.08 0.09 0.00 0.00 178.44 179.29 1ngk h ARG 33 N 0.00 0.00 -0.00 1.13 0.11 -1.31 0.17 114.38 114.48 1ngk h ARG 33 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ngk h ARG 33 Cb 1.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.62 1ngk h ARG 33 CO 0.09 0.03 -0.31 0.54 0.10 0.00 0.00 179.97 180.42 1ngk n ARG 34 N -3.46 0.07 -0.12 0.08 5.12 -1.22 -4.32 116.66 112.81 1ngk n ARG 34 Ca -0.02 -0.03 -0.26 0.00 -1.93 0.00 0.00 57.85 55.61 1ngk n ARG 34 Cb 0.13 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 29.82 1ngk n ARG 34 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ngk n VAL 35 N -1.43 1.53 -2.11 1.55 0.31 0.02 -4.88 118.33 113.32 1ngk n VAL 35 Ca 0.07 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 1ngk n VAL 35 Cb 0.33 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.27 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 -2.43 3.07 -0.25 3.52 1.51 -1.06 -4.93 117.35 116.78 1ngk s TYR 36 Ca -0.34 0.80 -0.36 0.00 -1.01 0.00 0.00 57.07 56.16 1ngk s TYR 36 Cb 0.10 -3.76 -0.13 0.00 -0.11 0.00 0.00 41.96 38.07 1ngk s TYR 36 CO 0.54 -2.75 1.95 -2.30 -1.11 0.00 0.00 175.55 171.89 1ngk n PRO 37 N 4.32 1.44 0.20 -1.71 -0.02 -1.26 -4.83 135.00 133.15 1ngk n PRO 37 Ca 0.13 0.49 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 1ngk n PRO 37 Cb 0.42 -2.41 0.79 0.00 -0.02 0.00 0.00 33.50 32.28 1ngk n PRO 37 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ngk h GLU 38 N 9.78 0.00 -0.35 -0.52 -0.00 -1.91 -2.62 114.58 118.95 1ngk h GLU 38 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 1ngk h GLU 38 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 1ngk h GLU 38 CO 0.98 0.00 0.00 -0.40 -0.00 0.00 0.00 179.01 179.59 1ngk n ASP 39 N -4.02 2.10 -1.48 3.06 5.75 -1.26 -4.32 116.55 116.39 1ngk n ASP 39 Ca 0.01 -1.94 -0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1ngk n ASP 39 Cb 0.28 -0.23 -0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1ngk n ASP 39 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ngk n ASP 40 N 0.64 0.26 -0.15 -1.12 2.03 -0.99 -4.96 116.55 112.26 1ngk n ASP 40 Ca 0.14 -2.01 -0.10 0.00 0.52 0.00 0.00 54.79 53.34 1ngk n ASP 40 Cb 0.35 -0.07 0.03 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.78 0.98 -0.03 -2.67 3.38 -1.75 -1.40 115.31 114.60 1ngk h LEU 41 Ca -0.35 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 1ngk h LEU 41 Cb 1.66 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1ngk h LEU 41 CO -0.04 1.13 0.02 0.00 0.09 0.00 0.00 178.44 179.64 1ngk h ALA 42 N 0.94 0.04 -0.92 1.53 0.00 -1.94 -1.77 119.26 117.15 1ngk h ALA 42 Ca 0.12 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ngk h ALA 42 Cb 0.74 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1ngk h ALA 42 CO 0.06 -0.40 0.60 0.78 0.00 0.00 0.00 179.25 180.29 1ngk h GLY 43 N -0.05 1.31 0.84 0.00 0.00 -1.94 -0.55 103.07 102.67 1ngk h GLY 43 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ngk h GLY 43 CO -0.00 0.41 0.03 0.00 0.00 0.00 0.00 176.54 176.98 1ngk h ALA 44 N 1.45 0.10 -0.66 3.60 0.00 -0.97 -0.09 119.26 122.69 1ngk h ALA 44 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ngk h ALA 44 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ngk h ALA 44 CO -0.10 -0.31 0.43 1.49 0.00 0.00 0.00 179.25 180.76 1ngk h GLU 45 N -0.05 0.87 -0.41 0.00 4.81 -1.14 -1.73 114.58 116.93 1ngk h GLU 45 Ca 0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ngk h GLU 45 Cb 0.18 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1ngk h GLU 45 CO -0.00 0.59 0.26 1.49 -0.73 0.00 0.00 179.01 180.62 1ngk h GLU 46 N 0.89 0.55 -0.47 1.92 4.81 -0.78 -1.05 114.58 120.45 1ngk h GLU 46 Ca 0.24 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1ngk h GLU 46 Cb -0.08 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1ngk h GLU 46 CO -0.05 0.39 -0.02 0.00 -0.73 0.00 0.00 179.01 178.60 1ngk h ARG 47 N 0.55 0.79 -0.35 1.92 3.08 -0.75 -0.56 114.38 119.05 1ngk h ARG 47 Ca 0.15 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1ngk h ARG 47 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1ngk h ARG 47 CO -0.03 0.81 -0.07 1.25 -1.07 0.00 0.00 179.97 180.87 1ngk h LEU 48 N 0.73 0.66 0.32 3.04 5.85 -1.07 -0.83 115.31 124.01 1ngk h LEU 48 Ca 0.14 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1ngk h LEU 48 Cb 0.48 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1ngk h LEU 48 CO 0.02 0.86 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.60 1ngk h ARG 49 N 0.45 -0.61 -0.55 1.25 2.43 -0.99 -0.78 114.38 115.58 1ngk h ARG 49 Ca 0.09 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 1ngk h ARG 49 Cb 0.56 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 30.15 1ngk h ARG 49 CO 0.03 -0.41 -0.11 0.52 -1.51 0.00 0.00 179.97 178.50 1ngk h MET 50 N -0.63 0.02 -0.15 0.20 2.86 -1.07 0.11 114.93 116.26 1ngk h MET 50 Ca -0.02 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ngk h MET 50 Cb 0.57 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1ngk h MET 50 CO -0.05 0.02 0.08 0.35 1.06 0.00 0.00 176.91 178.37 1ngk h PHE 51 N 0.02 0.15 -0.49 -0.22 3.57 -0.81 -2.25 116.94 116.92 1ngk h PHE 51 Ca 0.27 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1ngk h PHE 51 Cb 0.42 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1ngk h PHE 51 CO -0.43 0.09 0.04 -0.07 -2.23 0.00 0.00 178.31 175.72 1ngk h LEU 52 N 0.17 0.81 -0.46 0.59 3.38 -0.65 0.61 115.31 119.77 1ngk h LEU 52 Ca 0.06 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.82 1ngk h LEU 52 Cb -0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 1ngk h LEU 52 CO -0.03 0.89 0.08 -0.33 0.09 0.00 0.00 178.44 179.14 1ngk h GLU 53 N 0.71 0.20 -0.20 1.13 5.08 -0.74 -2.35 114.58 118.41 1ngk h GLU 53 Ca 0.14 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1ngk h GLU 53 Cb 0.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ngk h GLU 53 CO 0.02 0.13 -0.00 0.37 -1.00 0.00 0.00 179.01 178.52 1ngk h GLN 54 N 0.20 0.35 -0.92 2.33 4.15 -1.09 -0.02 115.11 120.11 1ngk h GLN 54 Ca 0.23 -0.11 0.10 0.00 0.77 0.00 0.00 58.65 59.63 1ngk h GLN 54 Cb 0.30 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.89 1ngk h GLN 54 CO -0.31 0.56 0.59 -0.92 -1.93 0.00 0.00 178.83 176.82 1ngk h TYR 55 N 0.10 1.01 -0.40 3.99 5.03 -0.47 -1.72 116.97 124.53 1ngk h TYR 55 Ca 0.06 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1ngk h TYR 55 Cb 0.40 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1ngk h TYR 55 CO 0.04 0.46 0.00 0.91 -1.32 0.00 0.00 178.16 178.25 1ngk n TRP 56 N -4.54 1.43 -0.32 -3.82 7.02 -0.92 -4.89 117.44 111.39 1ngk n TRP 56 Ca 0.16 -0.50 0.00 0.00 -1.02 0.00 0.00 57.50 56.14 1ngk n TRP 56 Cb 0.31 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 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 0.44 0.80 0.00 6.99 0.00 -0.65 -1.26 105.19 111.52 1ngk n GLY 57 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1ngk n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngk n GLY 58 N -2.26 0.98 3.66 -0.02 0.00 -0.02 -4.81 105.19 102.73 1ngk n GLY 58 Ca 0.00 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1ngk n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ngk n PRO 59 N 0.00 1.89 -0.79 1.61 -0.02 -1.26 -4.60 135.00 131.82 1ngk n PRO 59 Ca 0.00 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1ngk n PRO 59 Cb 0.00 -2.19 0.24 0.00 -0.02 0.00 0.00 33.50 31.53 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 0.78 3.21 -0.00 -0.52 1.74 -1.26 -3.31 116.66 117.30 1ngk n ARG 60 Ca 0.07 -2.38 0.04 0.00 -0.77 0.00 0.00 57.85 54.81 1ngk n ARG 60 Cb 0.34 -2.02 0.42 0.00 -1.02 0.00 0.00 32.46 30.18 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 2.17 1.11 0.01 0.55 2.02 -1.90 -2.96 112.91 113.91 1ngk h THR 61 Ca 0.19 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1ngk h THR 61 Cb 1.96 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.82 1ngk h THR 61 CO 0.57 0.11 -0.38 0.22 0.37 0.00 0.00 175.52 176.40 1ngk h TYR 62 N 0.56 -1.08 -0.47 3.16 3.20 -1.79 -1.31 116.97 119.26 1ngk h TYR 62 Ca 0.15 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1ngk h TYR 62 Cb -0.06 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1ngk h TYR 62 CO 0.00 -0.47 0.07 0.66 -1.64 0.00 0.00 178.16 176.78 1ngk h SER 63 N -0.55 0.68 -0.65 -2.11 4.64 -1.69 0.15 113.55 114.02 1ngk h SER 63 Ca 0.05 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1ngk h SER 63 Cb 0.62 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 1ngk h SER 63 CO -0.29 0.70 0.42 -0.33 -0.87 0.00 0.00 176.83 176.46 1ngk h GLU 64 N 0.70 0.82 0.06 4.77 5.08 -1.30 -0.14 114.58 124.57 1ngk h GLU 64 Ca 0.15 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.18 1ngk h GLU 64 Cb 0.32 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ngk h GLU 64 CO 0.00 0.54 -1.46 1.96 -1.00 0.00 0.00 179.01 179.05 1ngk h GLN 65 N 0.85 0.12 0.00 2.33 1.08 -0.88 -3.41 115.11 115.20 1ngk h GLN 65 Ca 0.25 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ngk h GLN 65 Cb -0.06 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1ngk h GLN 65 CO -0.07 0.93 -0.19 0.54 -0.95 0.00 0.00 178.83 179.09 1ngk n ARG 66 N -3.32 4.75 0.00 1.46 5.12 0.49 -5.11 116.66 120.06 1ngk n ARG 66 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1ngk n ARG 66 Cb 1.02 -0.53 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 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 1.11 -1.82 3.68 -0.13 0.00 -0.07 -4.87 105.19 103.09 1ngk n GLY 67 Ca 0.00 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 1.83 -0.27 1.61 8.25 -1.26 -4.21 115.22 121.17 1ngk n HIS 68 Ca 0.00 0.51 0.08 0.00 -0.26 0.00 0.00 57.72 58.05 1ngk n HIS 68 Cb 0.00 -2.33 0.21 0.00 1.12 0.00 0.00 29.99 29.00 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 1.83 0.22 -6.99 -0.41 0.11 -1.96 -3.45 132.00 121.34 1ngk h PRO 69 Ca -0.47 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.02 1ngk h PRO 69 Cb 1.31 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 32.23 1ngk h PRO 69 CO 0.59 0.14 -0.98 0.54 -0.21 0.00 0.00 178.00 178.08 1ngk n ARG 70 N -5.21 -0.95 0.00 1.05 1.74 -1.26 -4.75 116.66 107.28 1ngk n ARG 70 Ca 0.16 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1ngk n ARG 70 Cb 0.53 -3.38 0.31 0.00 -1.02 0.00 0.00 32.46 28.91 1ngk n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ngk h LEU 71 N -2.03 0.49 -0.73 0.55 3.38 -1.99 -1.11 115.31 113.86 1ngk h LEU 71 Ca -0.67 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.23 1ngk h LEU 71 Cb 1.40 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1ngk h LEU 71 CO 0.65 0.53 0.48 0.03 0.09 0.00 0.00 178.44 180.22 1ngk h ARG 72 N 0.51 0.96 -0.05 1.13 3.08 -1.95 -1.59 114.38 116.46 1ngk h ARG 72 Ca 0.11 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 1ngk h ARG 72 Cb 0.28 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1ngk h ARG 72 CO 0.00 0.63 -0.72 0.52 -1.07 0.00 0.00 179.97 179.33 1ngk h MET 73 N 0.98 0.29 -0.26 0.04 2.86 -1.72 -1.60 114.93 115.52 1ngk h MET 73 Ca 0.27 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1ngk h MET 73 Cb -0.10 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1ngk h MET 73 CO -0.07 0.90 0.01 0.00 1.06 0.00 0.00 176.91 178.81 1ngk h ARG 74 N 0.20 0.39 -0.01 1.72 2.47 -1.01 -2.91 114.38 115.23 1ngk h ARG 74 Ca -0.03 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1ngk h ARG 74 Cb 1.28 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1ngk h ARG 74 CO 0.12 0.41 -0.34 0.72 0.56 0.00 0.00 179.97 181.44 1ngk n HIS 75 N -4.34 0.00 -0.12 3.04 8.25 -0.62 -4.43 115.22 117.00 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 0.20 -0.04 0.40 0.00 1.12 0.00 0.00 29.99 31.67 1ngk n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngk h ALA 76 N 3.90 1.78 0.00 -1.41 0.00 -1.08 -1.45 119.26 121.01 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 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ngk h ALA 76 CO 0.00 0.12 0.00 -2.30 0.00 0.00 0.00 179.25 177.07 1ngk n PRO 77 N -4.48 0.03 -4.84 0.00 -0.02 -1.26 -4.71 135.00 119.73 1ngk n PRO 77 Ca 0.09 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 1ngk n PRO 77 Cb 0.23 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.07 1ngk n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ngk s PHE 78 N -2.75 1.95 -0.65 6.00 0.40 -0.55 -5.09 117.98 117.31 1ngk s PHE 78 Ca 0.03 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 55.76 1ngk s PHE 78 Cb 0.03 -1.20 0.08 0.00 0.51 0.00 0.00 43.02 42.44 1ngk s PHE 78 CO 0.07 0.06 0.91 1.03 0.70 0.00 0.00 175.22 177.98 1ngk s ARG 79 N -0.96 3.10 -0.46 0.44 0.52 -1.26 -4.89 118.95 115.44 1ngk s ARG 79 Ca 0.09 -0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 54.24 1ngk s ARG 79 Cb -0.09 -4.24 0.10 0.00 0.52 0.00 0.00 34.95 31.24 1ngk s ARG 79 CO 0.01 -1.76 0.34 0.42 0.02 0.00 0.00 175.30 174.33 1ngk s ILE 80 N 3.76 4.45 0.58 1.52 1.01 -1.26 -4.92 121.20 126.35 1ngk s ILE 80 Ca 0.20 -1.53 0.10 0.00 0.00 0.00 0.00 60.65 59.42 1ngk s ILE 80 Cb -0.18 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.57 1ngk s ILE 80 CO 0.09 -0.66 0.80 -1.54 0.00 0.00 0.00 174.94 173.63 1ngk n SER 81 N 4.98 2.13 -0.23 3.58 3.41 -1.26 -0.39 113.62 125.85 1ngk n SER 81 Ca -0.10 -2.55 0.25 0.00 -0.26 0.00 0.00 58.87 56.20 1ngk n SER 81 Cb 0.42 -0.42 0.62 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.22 -0.37 1.04 4.07 -1.88 -0.69 115.31 117.70 1ngk h LEU 82 Ca -0.27 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.67 1ngk h LEU 82 Cb 1.26 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1ngk h LEU 82 CO 0.39 0.07 0.07 0.40 -1.08 0.00 0.00 178.44 178.30 1ngk h ILE 83 N 0.21 1.23 -0.33 1.22 2.04 -1.95 0.36 117.51 120.29 1ngk h ILE 83 Ca 0.48 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 1ngk h ILE 83 Cb 1.51 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1ngk h ILE 83 CO -0.11 0.27 -0.32 -0.33 0.00 0.00 0.00 178.15 177.66 1ngk h GLU 84 N 0.44 0.81 -0.49 2.37 3.07 -1.70 -1.81 114.58 117.26 1ngk h GLU 84 Ca 0.11 -0.42 0.08 0.00 -0.50 0.00 0.00 59.36 58.63 1ngk h GLU 84 Cb 0.34 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 1ngk h GLU 84 CO 0.00 1.05 0.13 -0.09 -1.40 0.00 0.00 179.01 178.71 1ngk h ARG 85 N 0.58 0.27 -0.43 2.33 2.43 -0.96 0.11 114.38 118.71 1ngk h ARG 85 Ca 0.05 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1ngk h ARG 85 Cb 0.90 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1ngk h ARG 85 CO 0.08 0.18 -0.25 -0.44 -1.51 0.00 0.00 179.97 178.03 1ngk h ASP 86 N 0.28 0.94 -0.51 -3.80 3.32 -0.84 -1.69 116.42 114.11 1ngk h ASP 86 Ca 0.24 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 1ngk h ASP 86 Cb 0.31 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1ngk h ASP 86 CO -0.29 1.13 -0.13 0.00 -1.72 0.00 0.00 179.24 178.23 1ngk h ALA 87 N 0.93 0.71 -0.17 3.45 0.00 -1.03 -1.14 119.26 122.01 1ngk h ALA 87 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ngk h ALA 87 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ngk h ALA 87 CO 0.07 0.63 0.11 2.35 0.00 0.00 0.00 179.25 182.41 1ngk h TRP 88 N 0.86 0.20 -0.12 0.00 7.01 -0.81 -1.79 115.95 121.30 1ngk h TRP 88 Ca 0.13 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 1ngk h TRP 88 Cb 0.70 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1ngk h TRP 88 CO 0.05 0.12 -0.30 -0.07 -2.79 0.00 0.00 178.44 175.45 1ngk h LEU 89 N 0.22 0.23 -0.05 0.65 3.38 -1.16 -0.10 115.31 118.48 1ngk h LEU 89 Ca 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ngk h LEU 89 Cb -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ngk h LEU 89 CO -0.02 0.53 0.02 0.03 0.09 0.00 0.00 178.44 179.09 1ngk h ARG 90 N 0.21 0.07 -0.51 1.13 3.08 -0.80 -0.04 114.38 117.52 1ngk h ARG 90 Ca 0.03 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1ngk h ARG 90 Cb 0.64 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1ngk h ARG 90 CO 0.05 0.23 0.34 0.00 -1.07 0.00 0.00 179.97 179.51 1ngk h MET 92 N 0.69 0.62 -0.66 0.00 1.85 -0.96 -1.97 114.93 114.48 1ngk h MET 92 Ca 0.19 -0.30 -0.08 0.00 -0.61 0.00 0.00 59.70 58.90 1ngk h MET 92 Cb -0.07 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 1ngk h MET 92 CO -0.05 0.89 0.10 0.45 -0.40 0.00 0.00 176.91 177.91 1ngk h HIS 93 N 0.51 1.17 -0.09 1.39 -0.00 -0.84 -0.28 115.15 117.02 1ngk h HIS 93 Ca 0.05 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1ngk h HIS 93 Cb 0.88 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1ngk h HIS 93 CO 0.04 0.98 0.06 1.15 -0.00 0.00 0.00 177.93 180.16 1ngk h THR 94 N 1.03 1.04 -0.27 2.45 2.02 -1.21 -0.20 112.91 117.76 1ngk h THR 94 Ca 0.20 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1ngk h THR 94 Cb 0.45 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1ngk h THR 94 CO 0.01 0.03 0.16 0.00 0.37 0.00 0.00 175.52 176.10 1ngk h ALA 95 N 1.01 0.34 -0.67 6.16 0.00 -1.13 -2.37 119.26 122.60 1ngk h ALA 95 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ngk h ALA 95 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ngk h ALA 95 CO -0.01 -0.16 0.25 0.28 0.00 0.00 0.00 179.25 179.61 1ngk h VAL 96 N 0.34 1.24 0.00 0.00 2.07 -1.01 -2.58 116.25 116.31 1ngk h VAL 96 Ca 0.10 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1ngk h VAL 96 Cb 0.00 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1ngk h VAL 96 CO -0.02 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1ngk h ALA 97 N 1.11 1.00 0.00 1.67 0.00 -0.70 -1.88 119.26 120.46 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ngk h ALA 97 CO -0.01 0.00 -0.11 -1.13 0.00 0.00 0.00 179.25 178.00 1ngk n SER 98 N -2.43 0.41 -4.70 0.00 3.41 -0.92 -4.76 113.62 104.62 1ngk n SER 98 Ca 0.00 0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 58.63 1ngk n SER 98 Cb 0.15 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.05 4.98 0.61 -1.33 -1.09 -0.71 -5.05 121.20 115.57 1ngk s ILE 99 Ca 0.12 1.57 -0.17 0.00 -2.23 0.00 0.00 60.65 59.94 1ngk s ILE 99 Cb 0.16 -4.10 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 1ngk s ILE 99 CO 0.59 0.18 1.14 1.51 -1.23 0.00 0.00 174.94 177.13 1ngk s ASP 100 N 0.92 5.28 0.55 3.58 3.84 -1.26 -4.81 116.67 124.77 1ngk s ASP 100 Ca 0.40 2.14 0.31 0.00 -0.00 0.00 0.00 52.55 55.39 1ngk s ASP 100 Cb -0.18 -2.57 1.62 0.00 -1.38 0.00 0.00 42.92 40.41 1ngk s ASP 100 CO 0.18 -1.52 2.12 0.77 -0.00 0.00 0.00 175.17 176.72 1ngk h SER 101 N 0.54 0.00 -0.13 2.11 4.64 -1.97 -0.72 113.55 118.02 1ngk h SER 101 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1ngk h SER 101 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1ngk h SER 101 CO 0.55 0.08 0.05 -0.08 -0.87 0.00 0.00 176.83 176.55 1ngk h GLU 102 N 0.00 0.20 -0.13 4.77 4.81 -1.98 -3.20 114.58 119.04 1ngk h GLU 102 Ca -0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1ngk h GLU 102 Cb 0.28 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ngk h GLU 102 CO 0.01 0.32 -0.08 1.15 -0.73 0.00 0.00 179.01 179.68 1ngk h THR 103 N 0.04 1.32 -3.72 0.32 2.02 -1.79 -3.42 112.91 107.68 1ngk h THR 103 Ca 0.04 -1.13 -0.67 0.00 0.77 0.00 0.00 66.41 65.42 1ngk h THR 103 Cb 0.20 1.79 -0.39 0.00 -1.74 0.00 0.00 68.15 68.01 1ngk h THR 103 CO -0.00 0.33 -0.73 -0.22 0.37 0.00 0.00 175.52 175.27 1ngk s LEU 104 N -9.25 4.44 0.63 2.58 0.20 -0.32 -4.51 118.68 112.44 1ngk s LEU 104 Ca -0.14 -1.92 -0.17 0.00 0.69 0.00 0.00 54.13 52.58 1ngk s LEU 104 Cb 0.05 -1.63 -0.09 0.00 -0.43 0.00 0.00 46.19 44.09 1ngk s LEU 104 CO 0.73 -0.34 0.29 0.47 -0.29 0.00 0.00 176.35 177.22 1ngk n ASP 105 N 4.34 -2.00 -0.34 3.68 8.00 -1.22 -4.24 116.55 124.76 1ngk n ASP 105 Ca -0.02 0.64 0.04 0.00 0.71 0.00 0.00 54.79 56.16 1ngk n ASP 105 Cb 0.42 -1.09 0.19 0.00 -0.02 0.00 0.00 41.12 40.62 1ngk n ASP 105 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ngk h ASP 106 N -0.08 0.91 0.63 -2.24 5.19 -1.98 0.33 116.42 119.18 1ngk h ASP 106 Ca -0.44 0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 55.83 1ngk h ASP 106 Cb 1.39 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 1ngk h ASP 106 CO 0.43 0.54 -0.74 -0.08 -3.12 0.00 0.00 179.24 176.27 1ngk h GLU 107 N 1.02 0.09 0.12 3.56 4.81 -1.99 -1.93 114.58 120.26 1ngk h GLU 107 Ca 0.44 -0.08 -0.29 0.00 -0.13 0.00 0.00 59.36 59.29 1ngk h GLU 107 Cb 0.30 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ngk h GLU 107 CO -0.21 0.79 -1.41 0.45 -0.73 0.00 0.00 179.01 177.90 1ngk h HIS 108 N 0.06 0.47 -0.77 0.92 3.86 -1.85 -2.83 115.15 115.01 1ngk h HIS 108 Ca -0.02 -0.34 -0.02 0.00 -1.16 0.00 0.00 60.37 58.83 1ngk h HIS 108 Cb 1.31 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.72 1ngk h HIS 108 CO 0.01 1.33 0.39 -0.09 0.86 0.00 0.00 177.93 180.43 1ngk h ARG 109 N 0.07 1.09 -0.32 2.45 2.43 -0.35 0.11 114.38 119.86 1ngk h ARG 109 Ca -0.20 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1ngk h ARG 109 Cb 2.00 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 1ngk h ARG 109 CO 0.18 0.83 0.07 -0.09 -1.51 0.00 0.00 179.97 179.46 1ngk h ARG 110 N 1.07 0.51 -0.11 0.20 9.65 -1.40 -1.31 114.38 122.99 1ngk h ARG 110 Ca 0.27 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 1ngk h ARG 110 Cb 0.09 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1ngk h ARG 110 CO -0.04 0.58 0.05 1.49 2.80 0.00 0.00 179.97 184.86 1ngk h GLU 111 N 0.36 0.17 0.32 0.20 4.81 -1.23 0.26 114.58 119.47 1ngk h GLU 111 Ca 0.10 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1ngk h GLU 111 Cb 0.30 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1ngk h GLU 111 CO 0.00 0.25 -0.27 1.25 -0.73 0.00 0.00 179.01 179.51 1ngk h LEU 112 N 0.04 -0.72 -1.43 1.64 5.85 -0.76 -2.19 115.31 117.75 1ngk h LEU 112 Ca 0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ngk h LEU 112 Cb 0.15 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1ngk h LEU 112 CO -0.00 -0.41 0.15 -0.07 -0.34 0.00 0.00 178.44 177.78 1ngk h LEU 113 N -0.61 0.48 -0.49 2.25 4.07 -1.22 -1.38 115.31 118.42 1ngk h LEU 113 Ca -0.02 -0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 1ngk h LEU 113 Cb 0.54 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1ngk h LEU 113 CO -0.03 0.44 0.08 0.44 -1.08 0.00 0.00 178.44 178.30 1ngk h ASP 114 N 0.54 0.77 -0.08 -0.43 3.45 -0.76 -1.41 116.42 118.50 1ngk h ASP 114 Ca 0.13 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1ngk h ASP 114 Cb 0.11 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 1ngk h ASP 114 CO -0.01 0.83 0.03 0.22 -1.57 0.00 0.00 179.24 178.73 1ngk h TYR 115 N 0.68 0.12 -0.94 4.55 5.03 -0.99 -2.43 116.97 122.99 1ngk h TYR 115 Ca 0.15 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.44 1ngk h TYR 115 Cb 0.39 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.58 1ngk h TYR 115 CO 0.03 0.26 0.58 -0.07 -1.32 0.00 0.00 178.16 177.63 1ngk h LEU 116 N -0.05 1.13 -0.38 2.82 3.38 -1.16 0.11 115.31 121.15 1ngk h LEU 116 Ca 0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1ngk h LEU 116 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ngk h LEU 116 CO -0.00 0.86 -0.12 -0.33 0.09 0.00 0.00 178.44 178.94 1ngk h GLU 117 N 1.30 0.75 -0.42 1.13 4.39 -1.27 -1.12 114.58 119.34 1ngk h GLU 117 Ca 0.34 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1ngk h GLU 117 Cb -0.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1ngk h GLU 117 CO -0.07 0.90 -0.10 0.00 -1.16 0.00 0.00 179.01 178.59 1ngk h MET 118 N 0.55 0.80 -0.15 2.33 -0.00 -1.01 -2.86 114.93 114.59 1ngk h MET 118 Ca 0.09 -0.30 -0.00 0.00 -0.00 0.00 0.00 59.70 59.49 1ngk h MET 118 Cb 0.64 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.19 1ngk h MET 118 CO 0.04 0.92 0.09 0.00 -0.00 0.00 0.00 176.91 177.97 1ngk h ALA 119 N 0.85 0.20 -0.87 -3.00 0.00 -0.72 -1.48 119.26 114.24 1ngk h ALA 119 Ca 0.11 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ngk h ALA 119 Cb 0.62 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1ngk h ALA 119 CO 0.04 -0.29 0.54 0.00 0.00 0.00 0.00 179.25 179.55 1ngk h ALA 120 N 1.01 1.19 -0.46 0.00 0.00 -1.23 -1.69 119.26 118.07 1ngk h ALA 120 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1ngk h ALA 120 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ngk h ALA 120 CO -0.01 0.31 -0.15 1.25 0.00 0.00 0.00 179.25 180.65 1ngk h HIS 121 N 1.00 0.98 0.00 0.00 6.17 -1.34 -2.70 115.15 119.26 1ngk h HIS 121 Ca 0.37 -0.20 -0.00 0.00 0.71 0.00 0.00 60.37 61.25 1ngk h HIS 121 Cb 0.15 -0.24 -0.00 0.00 2.52 0.00 0.00 27.41 29.83 1ngk h HIS 121 CO -0.03 0.95 -0.01 0.66 0.71 0.00 0.00 177.93 180.21 1ngk h SER 122 N 0.78 0.00 -0.06 3.26 4.64 -0.37 -2.72 113.55 119.07 1ngk h SER 122 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ngk h SER 122 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1ngk h SER 122 CO 0.05 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 1ngk n LEU 123 N -3.16 2.67 -4.70 5.97 4.77 -0.89 -4.89 117.00 116.76 1ngk n LEU 123 Ca -0.02 -0.92 -0.43 0.00 -0.03 0.00 0.00 56.01 54.61 1ngk n LEU 123 Cb 0.18 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1ngk n LEU 123 CO 0.24 0.46 1.31 0.52 -1.33 0.00 0.00 177.39 178.59 1ngk n VAL 124 N 1.08 0.07 -0.98 4.08 0.31 -1.03 -4.78 118.33 117.06 1ngk n VAL 124 Ca 0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1ngk n VAL 124 Cb 0.54 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 3.69 0.04 -3.75 4.52 0.23 0.47 -5.01 115.26 115.44 1ngk n ASN 125 Ca 0.16 -1.02 -0.13 0.00 -0.53 0.00 0.00 54.58 53.05 1ngk n ASN 125 Cb 0.33 -0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.02 -0.19 0.43 0.53 0.15 -0.85 -4.80 113.70 108.93 1ngk s SER 126 Ca 0.00 0.06 0.23 0.00 0.70 0.00 0.00 55.95 56.95 1ngk s SER 126 Cb 0.00 0.32 0.64 0.00 -1.71 0.00 0.00 66.02 65.27 1ngk s SER 126 CO 0.00 -0.47 1.71 1.55 1.20 0.00 0.00 173.24 177.22 1ngk h PRO 127 N 3.75 0.00 0.00 5.44 0.13 -1.98 -3.35 132.00 135.98 1ngk h PRO 127 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.41 0.18 0.00 1.97 -0.23 0.00 0.00 178.00 180.32