#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kuw s ARG 6 N 0.00 2.21 -0.02 0.03 3.00 -1.26 -5.06 118.95 117.85 3kuw s ARG 6 Ca 0.00 -0.88 -0.40 0.00 0.00 0.00 0.00 55.73 54.45 3kuw s ARG 6 Cb 0.00 -2.22 -0.20 0.00 0.00 0.00 0.00 34.95 32.53 3kuw s ARG 6 CO 0.00 0.57 1.09 0.28 0.00 0.00 0.00 175.30 177.24 3kuw n VAL 7 N 1.95 0.00 0.00 3.52 0.31 -1.26 -0.38 118.33 122.46 3kuw n VAL 7 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3kuw n VAL 7 Cb 0.52 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 3kuw n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kuw n GLY 8 N 1.61 2.30 3.77 2.92 0.00 0.26 -5.00 105.19 111.05 3kuw n GLY 8 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3kuw n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kuw s GLU 9 N -0.59 4.22 -0.07 1.61 -6.30 0.48 -4.75 118.70 113.30 3kuw s GLU 9 Ca 0.00 2.21 0.01 0.00 -2.50 0.00 0.00 54.97 54.69 3kuw s GLU 9 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 34.13 31.14 3kuw s GLU 9 CO 0.00 -0.30 -0.06 1.03 0.02 0.00 0.00 175.26 175.94 3kuw s ARG 10 N -1.96 2.76 -0.03 4.30 3.00 -1.26 -1.25 118.95 124.51 3kuw s ARG 10 Ca 0.52 -0.54 0.05 0.00 0.00 0.00 0.00 55.73 55.76 3kuw s ARG 10 Cb -0.39 -2.60 -0.01 0.00 0.00 0.00 0.00 34.95 31.94 3kuw s ARG 10 CO 0.52 0.67 -0.18 0.12 0.00 0.00 0.00 175.30 176.43 3kuw s PHE 11 N -0.82 1.66 -0.02 -0.53 5.36 0.41 -4.97 117.98 119.06 3kuw s PHE 11 Ca 0.13 -0.39 0.07 0.00 -0.96 0.00 0.00 56.93 55.77 3kuw s PHE 11 Cb -0.11 -1.09 -0.02 0.00 -0.34 0.00 0.00 43.02 41.46 3kuw s PHE 11 CO 0.02 -0.09 -0.23 0.99 -1.46 0.00 0.00 175.22 174.45 3kuw s THR 12 N -0.20 1.80 -0.08 0.12 2.01 -1.26 -0.46 115.64 117.57 3kuw s THR 12 Ca 0.02 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 3kuw s THR 12 Cb -0.09 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 70.95 3kuw s THR 12 CO 0.01 0.51 -0.02 -2.28 -0.69 0.00 0.00 174.62 172.14 3kuw s HIS 13 N -0.45 0.89 0.05 4.92 2.46 -0.12 -5.00 115.29 118.03 3kuw s HIS 13 Ca 0.06 -0.32 0.03 0.00 0.47 0.00 0.00 55.06 55.30 3kuw s HIS 13 Cb -0.10 -0.90 -0.04 0.00 -0.13 0.00 0.00 32.58 31.41 3kuw s HIS 13 CO -0.00 -0.36 0.04 -0.51 -2.47 0.00 0.00 174.74 171.44 3kuw s ASP 14 N 1.79 5.32 -0.29 9.88 1.01 -1.26 -0.74 116.67 132.39 3kuw s ASP 14 Ca 0.03 -0.03 -0.06 0.00 0.71 0.00 0.00 52.55 53.21 3kuw s ASP 14 Cb -0.13 -1.40 0.15 0.00 1.01 0.00 0.00 42.92 42.56 3kuw s ASP 14 CO -0.05 0.21 0.59 0.12 0.21 0.00 0.00 175.17 176.25 3kuw s PHE 15 N -1.26 -1.36 -0.10 4.23 5.36 -0.44 -4.98 117.98 119.42 3kuw s PHE 15 Ca 0.25 1.91 -0.30 0.00 -0.96 0.00 0.00 56.93 57.83 3kuw s PHE 15 Cb -0.12 0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 43.14 3kuw s PHE 15 CO 0.17 -0.74 1.39 0.08 -1.46 0.00 0.00 175.22 174.67 3kuw s VAL 16 N 2.83 3.99 -0.20 3.12 1.01 -1.26 0.30 120.40 130.19 3kuw s VAL 16 Ca 0.06 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 3kuw s VAL 16 Cb -0.13 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3kuw s VAL 16 CO -0.19 -0.09 1.34 -0.69 0.00 0.00 0.00 175.10 175.47 3kuw s VAL 17 N 3.43 4.12 0.63 2.92 1.01 -0.20 -4.92 120.40 127.39 3kuw s VAL 17 Ca 0.62 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.90 3kuw s VAL 17 Cb -0.27 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.20 3kuw s VAL 17 CO 0.21 -0.25 0.89 -2.16 0.00 0.00 0.00 175.10 173.79 3kuw s PRO 18 N 3.86 2.25 0.56 2.72 0.04 -1.26 -0.53 135.00 142.65 3kuw s PRO 18 Ca 0.58 -0.69 0.27 0.00 0.04 0.00 0.00 61.00 61.20 3kuw s PRO 18 Cb -0.21 -2.36 1.62 0.00 0.04 0.00 0.00 34.50 33.59 3kuw s PRO 18 CO 0.20 -1.02 2.19 -1.35 0.04 0.00 0.00 177.00 177.05 3kuw h PRO 19 N -0.25 0.00 -0.59 0.56 0.11 -1.96 -2.70 132.00 127.16 3kuw h PRO 19 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kuw h PRO 19 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kuw h PRO 19 CO 0.52 0.04 0.00 -2.39 -0.21 0.00 0.00 178.00 175.96 3kuw n HIS 20 N -3.92 0.85 -1.24 0.65 1.44 -1.26 -3.64 115.22 108.11 3kuw n HIS 20 Ca -0.03 -0.34 0.03 0.00 -2.01 0.00 0.00 57.72 55.37 3kuw n HIS 20 Cb 0.13 -0.17 0.22 0.00 0.12 0.00 0.00 29.99 30.28 3kuw n HIS 20 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3kuw n LYS 21 N 0.51 2.18 -3.05 -1.40 4.76 -1.02 -4.74 118.16 115.40 3kuw n LYS 21 Ca 0.14 -2.99 -0.22 0.00 -2.87 0.00 0.00 58.31 52.37 3kuw n LYS 21 Cb 0.56 -1.79 0.01 0.00 -1.84 0.00 0.00 35.03 31.98 3kuw n LYS 21 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3kuw s THR 22 N -3.05 3.92 0.24 -0.18 -4.23 -1.24 -2.13 115.64 108.98 3kuw s THR 22 Ca 0.42 -0.60 -0.09 0.00 -1.18 0.00 0.00 61.69 60.24 3kuw s THR 22 Cb 0.37 -3.43 0.38 0.00 1.34 0.00 0.00 72.50 71.15 3kuw s THR 22 CO 0.03 -0.28 1.41 0.52 -0.54 0.00 0.00 174.62 175.77 3kuw n VAL 23 N -2.02 -0.40 0.29 2.29 0.31 -0.71 -1.02 118.33 117.08 3kuw n VAL 23 Ca 0.02 2.08 0.16 0.00 -0.01 0.00 0.00 64.34 66.59 3kuw n VAL 23 Cb 0.58 -2.86 0.88 0.00 -0.91 0.00 0.00 33.84 31.53 3kuw n VAL 23 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3kuw h ARG 24 N 0.00 0.00 0.00 5.55 0.11 -1.88 -0.79 114.38 117.38 3kuw h ARG 24 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 3kuw h ARG 24 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 3kuw h ARG 24 CO -0.93 0.05 -0.89 0.45 0.10 0.00 0.00 179.97 178.76 3kuw h HIS 25 N 0.00 0.00 -0.20 4.08 3.86 -1.37 -2.82 115.15 118.70 3kuw h HIS 25 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3kuw h HIS 25 Cb 0.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3kuw h HIS 25 CO 0.00 0.00 0.08 1.25 0.86 0.00 0.00 177.93 180.12 3kuw h LEU 26 N 0.00 0.27 -6.57 2.43 5.85 -0.86 -3.38 115.31 113.06 3kuw h LEU 26 Ca 0.00 -0.15 -0.60 0.00 0.84 0.00 0.00 57.88 57.97 3kuw h LEU 26 Cb 0.90 -0.07 -0.40 0.00 0.37 0.00 0.00 40.66 41.46 3kuw h LEU 26 CO 0.00 0.35 -0.79 -1.22 -0.34 0.00 0.00 178.44 176.44 3kuw n TYR 27 N -4.84 1.35 0.15 1.25 4.01 -1.22 -4.95 117.16 112.91 3kuw n TYR 27 Ca -0.04 -3.84 0.07 0.00 -0.16 0.00 0.00 57.90 53.94 3kuw n TYR 27 Cb 0.12 -0.26 0.37 0.00 -0.31 0.00 0.00 39.34 39.26 3kuw n TYR 27 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3kuw n PRO 28 N 2.06 0.09 0.00 -0.72 -0.02 -1.06 -2.30 135.00 133.05 3kuw n PRO 28 Ca 0.25 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 3kuw n PRO 28 Cb 0.43 -1.78 0.72 0.00 -0.02 0.00 0.00 33.50 32.85 3kuw n PRO 28 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kuw n GLU 29 N -1.97 0.49 -3.53 -0.52 4.71 -1.26 -4.81 120.64 113.75 3kuw n GLU 29 Ca -0.00 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.16 56.68 3kuw n GLU 29 Cb 0.05 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 28.89 3kuw n GLU 29 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3kuw s SER 30 N -2.55 5.82 0.33 1.62 0.15 -0.97 -4.96 113.70 113.14 3kuw s SER 30 Ca 0.29 -1.41 0.06 0.00 0.70 0.00 0.00 55.95 55.58 3kuw s SER 30 Cb 0.20 -2.06 0.72 0.00 -1.71 0.00 0.00 66.02 63.18 3kuw s SER 30 CO 0.47 -0.57 1.87 -0.65 1.20 0.00 0.00 173.24 175.56 3kuw h PRO 31 N 8.53 0.78 -0.16 5.44 0.11 -1.88 -1.51 132.00 143.30 3kuw h PRO 31 Ca -0.25 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3kuw h PRO 31 Cb 1.09 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3kuw h PRO 31 CO 0.79 0.51 0.02 0.93 -0.21 0.00 0.00 178.00 180.04 3kuw h GLU 32 N 0.80 0.22 -0.00 1.05 3.07 -1.96 -2.40 114.58 115.36 3kuw h GLU 32 Ca 0.44 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3kuw h GLU 32 Cb 0.58 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3kuw h GLU 32 CO -0.21 0.23 -0.36 1.19 -1.40 0.00 0.00 179.01 178.47 3kuw n PHE 33 N -4.42 0.00 -0.11 4.33 3.72 -0.60 -4.56 117.46 115.83 3kuw n PHE 33 Ca -0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.27 3kuw n PHE 33 Cb 0.15 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 3kuw n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kuw h ALA 34 N 3.37 0.45 -1.66 4.37 0.00 -1.08 -3.06 119.26 121.65 3kuw h ALA 34 Ca 0.00 -0.35 -0.78 0.00 0.00 0.00 0.00 54.91 53.78 3kuw h ALA 34 Cb 0.50 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 17.89 3kuw h ALA 34 CO 0.00 0.38 0.72 0.39 0.00 0.00 0.00 179.25 180.74 3kuw n GLU 35 N -4.34 4.72 -4.90 0.00 -0.58 -1.26 -4.94 120.64 109.34 3kuw n GLU 35 Ca -0.03 -4.64 -0.30 0.00 -0.42 0.00 0.00 57.16 51.77 3kuw n GLU 35 Cb 0.41 -2.46 -0.14 0.00 -0.57 0.00 0.00 31.44 28.67 3kuw n GLU 35 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3kuw s PHE 36 N -3.52 2.39 0.35 -0.32 5.36 -1.15 -5.10 117.98 115.99 3kuw s PHE 36 Ca 0.36 -0.37 -0.24 0.00 -0.96 0.00 0.00 56.93 55.72 3kuw s PHE 36 Cb 0.13 -1.43 -0.14 0.00 -0.34 0.00 0.00 43.02 41.24 3kuw s PHE 36 CO -0.02 0.14 0.56 -2.30 -1.46 0.00 0.00 175.22 172.14 3kuw n PRO 37 N 1.83 0.52 -1.96 10.12 -0.02 -1.26 -4.81 135.00 139.41 3kuw n PRO 37 Ca -0.17 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 3kuw n PRO 37 Cb 0.52 -1.41 -0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3kuw n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kuw n GLU 38 N 0.78 2.87 -4.27 -0.52 -0.58 -1.26 -4.57 120.64 113.09 3kuw n GLU 38 Ca 0.12 -2.77 -0.22 0.00 -0.42 0.00 0.00 57.16 53.88 3kuw n GLU 38 Cb 0.36 -3.34 -0.12 0.00 -0.57 0.00 0.00 31.44 27.76 3kuw n GLU 38 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3kuw s VAL 39 N 3.73 1.57 -0.17 2.62 -7.23 -1.26 -4.33 120.40 115.33 3kuw s VAL 39 Ca 0.50 -1.58 -0.37 0.00 -1.81 0.00 0.00 61.98 58.72 3kuw s VAL 39 Cb 0.11 -1.51 -0.14 0.00 0.56 0.00 0.00 36.38 35.40 3kuw s VAL 39 CO -0.03 -0.17 1.80 0.33 -0.31 0.00 0.00 175.10 176.72 3kuw n PHE 40 N 0.93 2.18 -2.08 2.82 7.35 0.01 -1.74 117.46 126.93 3kuw n PHE 40 Ca -0.18 0.27 -0.40 0.00 -0.76 0.00 0.00 57.45 56.38 3kuw n PHE 40 Cb 0.55 -2.56 -0.02 0.00 0.35 0.00 0.00 39.48 37.80 3kuw n PHE 40 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kuw s ALA 41 N 3.70 3.44 0.36 3.13 0.00 -0.90 -4.76 121.76 126.72 3kuw s ALA 41 Ca 0.95 1.27 0.08 0.00 0.00 0.00 0.00 51.96 54.27 3kuw s ALA 41 Cb -0.88 -3.49 0.80 0.00 0.00 0.00 0.00 23.12 19.55 3kuw s ALA 41 CO 0.58 -0.71 1.89 0.77 0.00 0.00 0.00 175.76 178.29 3kuw h SER 42 N 3.18 0.66 -0.11 0.00 0.02 -1.94 -1.59 113.55 113.78 3kuw h SER 42 Ca -0.49 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 3kuw h SER 42 Cb 1.23 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3kuw h SER 42 CO 0.65 0.36 -0.05 1.23 -1.14 0.00 0.00 176.83 177.88 3kuw h GLY 43 N 0.71 0.39 1.93 -3.77 0.00 -1.98 -0.25 103.07 100.10 3kuw h GLY 43 Ca 0.41 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.34 3kuw h GLY 43 CO -0.18 0.21 -0.84 0.74 0.00 0.00 0.00 176.54 176.47 3kuw h PHE 44 N 0.35 0.10 -0.03 5.60 0.04 -1.72 -1.89 116.94 119.39 3kuw h PHE 44 Ca 0.08 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3kuw h PHE 44 Cb 0.32 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 3kuw h PHE 44 CO 0.01 0.87 0.02 1.98 -0.60 0.00 0.00 178.31 180.59 3kuw h MET 45 N 0.04 0.04 -0.02 1.51 4.05 -0.65 -0.06 114.93 119.83 3kuw h MET 45 Ca -0.02 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 3kuw h MET 45 Cb 1.47 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.21 3kuw h MET 45 CO 0.12 0.08 -0.25 0.28 0.23 0.00 0.00 176.91 177.37 3kuw h VAL 46 N -0.01 0.42 -0.97 -5.77 2.07 -1.11 0.10 116.25 110.99 3kuw h VAL 46 Ca 0.01 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.74 3kuw h VAL 46 Cb 0.05 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 3kuw h VAL 46 CO -0.00 0.00 0.62 1.23 0.02 0.00 0.00 177.57 179.44 3kuw h GLY 47 N -0.37 1.35 1.65 2.17 0.00 -1.12 0.14 103.07 106.88 3kuw h GLY 47 Ca 0.07 -0.27 -0.24 0.00 0.00 0.00 0.00 47.33 46.89 3kuw h GLY 47 CO -0.24 -0.05 -1.04 -2.00 0.00 0.00 0.00 176.54 173.21 3kuw h LEU 48 N 0.57 0.41 -0.21 3.11 5.85 -0.27 -1.25 115.31 123.52 3kuw h LEU 48 Ca 0.54 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3kuw h LEU 48 Cb 1.10 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3kuw h LEU 48 CO -0.29 1.22 0.06 0.24 -0.34 0.00 0.00 178.44 179.33 3kuw h MET 49 N 0.13 0.33 -0.87 1.25 2.86 0.31 -1.22 114.93 117.72 3kuw h MET 49 Ca -0.09 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3kuw h MET 49 Cb 1.72 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.29 3kuw h MET 49 CO 0.17 0.43 0.54 0.93 1.06 0.00 0.00 176.91 180.05 3kuw h GLU 50 N 0.16 1.17 -0.30 1.72 5.08 -0.72 -2.75 114.58 118.94 3kuw h GLU 50 Ca 0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kuw h GLU 50 Cb 0.24 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kuw h GLU 50 CO -0.00 0.80 0.17 2.35 -1.00 0.00 0.00 179.01 181.33 3kuw h TRP 51 N 1.19 0.41 -0.58 4.33 7.01 -1.15 -0.22 115.95 126.94 3kuw h TRP 51 Ca 0.32 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.40 3kuw h TRP 51 Cb -0.08 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 26.78 3kuw h TRP 51 CO -0.00 0.32 0.20 0.00 -2.79 0.00 0.00 178.44 176.17 3kuw h ALA 52 N 1.05 0.73 -0.40 2.65 0.00 -1.09 -2.12 119.26 120.08 3kuw h ALA 52 Ca 0.11 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3kuw h ALA 52 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kuw h ALA 52 CO -0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 179.25 178.92 3kuw h VAL 54 N 0.64 1.06 -0.67 0.00 2.07 -0.64 -2.22 116.25 116.50 3kuw h VAL 54 Ca 0.12 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kuw h VAL 54 Cb 0.53 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3kuw h VAL 54 CO 0.03 0.06 0.38 0.03 0.02 0.00 0.00 177.57 178.09 3kuw h ARG 55 N 0.30 0.92 -0.60 1.57 3.08 -1.34 -2.75 114.38 115.56 3kuw h ARG 55 Ca 0.08 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.08 3kuw h ARG 55 Cb -0.03 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.80 3kuw h ARG 55 CO -0.02 0.68 0.40 0.00 -1.07 0.00 0.00 179.97 179.96 3kuw h ALA 56 N 1.19 1.77 -0.16 0.04 0.00 -1.18 -3.00 119.26 117.92 3kuw h ALA 56 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kuw h ALA 56 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kuw h ALA 56 CO -0.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3kuw n MET 57 N -4.47 2.36 -0.32 0.00 0.00 -0.85 -4.47 117.12 109.37 3kuw n MET 57 Ca 0.08 -2.00 0.04 0.00 0.00 0.00 0.00 57.70 55.82 3kuw n MET 57 Cb 0.20 -1.48 0.19 0.00 0.00 0.00 0.00 33.22 32.14 3kuw n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kuw h ALA 58 N 4.62 1.31 -0.35 3.17 0.00 -1.34 0.36 119.26 127.03 3kuw h ALA 58 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3kuw h ALA 58 Cb 0.97 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kuw h ALA 58 CO 0.00 0.16 0.34 -1.35 0.00 0.00 0.00 179.25 178.40 3kuw h PRO 59 N 0.89 0.00 0.00 0.00 0.11 -1.82 -2.58 132.00 128.60 3kuw h PRO 59 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3kuw h PRO 59 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3kuw h PRO 59 CO -0.25 0.00 0.00 -0.92 -0.21 0.00 0.00 178.00 176.62 3kuw h TYR 60 N 0.00 0.00 -3.71 0.65 3.20 -1.24 -3.46 116.97 112.41 3kuw h TYR 60 Ca 0.17 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.53 3kuw h TYR 60 Cb 0.84 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3kuw h TYR 60 CO 0.00 0.00 0.44 -0.51 -1.64 0.00 0.00 178.16 176.45 3kuw s LEU 61 N -6.07 4.55 0.28 2.82 1.43 -0.97 -5.07 118.68 115.65 3kuw s LEU 61 Ca 0.05 2.12 -0.05 0.00 -1.03 0.00 0.00 54.13 55.23 3kuw s LEU 61 Cb 0.07 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 3kuw s LEU 61 CO 0.62 -0.10 0.55 -1.61 0.23 0.00 0.00 176.35 176.04 3kuw s GLU 62 N -0.98 3.64 0.38 1.70 0.41 -1.26 -5.02 118.70 117.57 3kuw s GLU 62 Ca 0.45 0.02 -0.27 0.00 -0.41 0.00 0.00 54.97 54.76 3kuw s GLU 62 Cb -0.30 -2.65 -0.11 0.00 -1.78 0.00 0.00 34.13 29.29 3kuw s GLU 62 CO 0.37 0.23 1.35 -0.35 -0.49 0.00 0.00 175.26 176.36 3kuw n PRO 63 N -0.86 2.23 -0.09 0.39 -0.04 -1.26 -1.62 135.00 133.74 3kuw n PRO 63 Ca -0.02 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 3kuw n PRO 63 Cb 0.54 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3kuw n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kuw n GLY 64 N 0.68 1.48 3.90 0.55 0.00 -1.26 -5.05 105.19 105.49 3kuw n GLY 64 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3kuw n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kuw s GLU 65 N -0.46 3.34 0.00 1.61 2.02 -0.64 -0.99 118.70 123.58 3kuw s GLU 65 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.43 3kuw s GLU 65 Cb 0.00 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.28 3kuw s GLU 65 CO 0.00 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.25 3kuw n GLY 66 N -0.07 5.54 3.17 -1.39 0.00 0.29 -4.80 105.19 107.92 3kuw n GLY 66 Ca -0.06 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 3kuw n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kuw s SER 67 N 1.00 0.03 -0.02 1.61 1.04 -1.26 -0.22 113.70 115.88 3kuw s SER 67 Ca 0.00 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.17 3kuw s SER 67 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3kuw s SER 67 CO 0.00 -0.52 -0.25 -0.76 0.98 0.00 0.00 173.24 172.69 3kuw s LEU 68 N -1.96 2.05 0.13 2.42 1.43 -0.34 -4.93 118.68 117.49 3kuw s LEU 68 Ca -0.07 -0.46 -0.31 0.00 -1.03 0.00 0.00 54.13 52.26 3kuw s LEU 68 Cb -0.02 -1.30 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 3kuw s LEU 68 CO -0.03 0.31 1.36 -0.83 0.23 0.00 0.00 176.35 177.39 3kuw s GLY 69 N -0.61 2.09 -0.00 -3.19 0.00 -1.26 -0.93 107.32 103.42 3kuw s GLY 69 Ca 0.10 1.10 0.04 0.00 0.00 0.00 0.00 44.72 45.95 3kuw s GLY 69 CO -0.01 2.28 0.14 -1.30 0.00 0.00 0.00 173.10 174.21 3kuw n THR 70 N 3.71 0.00 -3.60 0.90 -2.24 0.03 -4.92 114.28 108.16 3kuw n THR 70 Ca 0.10 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 3kuw n THR 70 Cb 0.43 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.48 3kuw n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kuw s ALA 71 N -1.51 -1.75 -0.03 6.98 0.00 -1.19 -4.96 121.76 119.30 3kuw s ALA 71 Ca 0.01 1.77 0.01 0.00 0.00 0.00 0.00 51.96 53.74 3kuw s ALA 71 Cb 0.03 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.39 3kuw s ALA 71 CO 0.15 -0.35 -0.02 -1.50 0.00 0.00 0.00 175.76 174.05 3kuw s ILE 72 N -0.14 0.27 -0.34 0.00 1.10 -1.26 -1.58 121.20 119.25 3kuw s ILE 72 Ca -0.04 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.10 3kuw s ILE 72 Cb -0.03 -0.33 0.13 0.00 0.15 0.00 0.00 42.46 42.38 3kuw s ILE 72 CO 0.04 0.15 0.18 0.00 -2.11 0.00 0.00 174.94 173.20 3kuw s VAL 74 N 1.34 0.37 0.25 0.00 -7.23 -1.26 -1.30 120.40 112.57 3kuw s VAL 74 Ca 0.15 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 3kuw s VAL 74 Cb -0.21 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 3kuw s VAL 74 CO -0.12 -0.87 0.40 0.42 -0.31 0.00 0.00 175.10 174.62 3kuw s THR 75 N -3.39 5.22 -0.26 5.32 -4.23 -0.52 -4.95 115.64 112.83 3kuw s THR 75 Ca 0.05 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 3kuw s THR 75 Cb 0.04 -3.82 0.08 0.00 1.34 0.00 0.00 72.50 70.14 3kuw s THR 75 CO -0.07 -0.33 0.07 -2.28 -0.54 0.00 0.00 174.62 171.47 3kuw s HIS 76 N -2.01 1.32 -0.54 3.99 2.46 -1.26 -3.44 115.29 115.81 3kuw s HIS 76 Ca 0.36 -1.29 0.11 0.00 0.47 0.00 0.00 55.06 54.71 3kuw s HIS 76 Cb -0.10 -1.34 -0.11 0.00 -0.13 0.00 0.00 32.58 30.90 3kuw s HIS 76 CO 0.31 -0.76 0.47 0.25 -2.47 0.00 0.00 174.74 172.54 3kuw n THR 77 N 4.96 0.00 -3.62 0.89 -2.24 0.15 -4.96 114.28 109.47 3kuw n THR 77 Ca -0.06 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 3kuw n THR 77 Cb 0.44 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 3kuw n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kuw s ALA 78 N -1.97 -1.04 0.13 6.98 0.00 -1.23 -4.98 121.76 119.64 3kuw s ALA 78 Ca 0.04 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 3kuw s ALA 78 Cb 0.08 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3kuw s ALA 78 CO 0.43 -0.59 0.30 0.00 0.00 0.00 0.00 175.76 175.90 3kuw s ALA 79 N -3.32 3.92 -0.17 0.00 0.00 -1.26 -4.83 121.76 116.11 3kuw s ALA 79 Ca -0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3kuw s ALA 79 Cb 0.01 -1.90 0.05 0.00 0.00 0.00 0.00 23.12 21.27 3kuw s ALA 79 CO -0.09 0.64 -0.03 0.99 0.00 0.00 0.00 175.76 177.27 3kuw s THR 80 N -1.68 0.96 0.64 0.00 2.01 -1.26 -5.03 115.64 111.27 3kuw s THR 80 Ca 0.37 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 3kuw s THR 80 Cb -0.12 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 3kuw s THR 80 CO 0.28 0.06 1.01 -2.16 -0.69 0.00 0.00 174.62 173.11 3kuw s PRO 81 N 1.69 3.12 0.62 4.92 0.04 -1.26 -0.81 135.00 143.32 3kuw s PRO 81 Ca 0.00 0.40 -0.18 0.00 0.04 0.00 0.00 61.00 61.26 3kuw s PRO 81 Cb -0.16 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3kuw s PRO 81 CO -0.07 -0.77 1.05 -2.30 0.04 0.00 0.00 177.00 174.95 3kuw n PRO 82 N -2.78 0.94 0.00 0.56 -0.02 -1.26 -3.49 135.00 128.95 3kuw n PRO 82 Ca 0.06 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kuw n PRO 82 Cb 0.56 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3kuw n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kuw n GLY 83 N 1.19 1.86 3.87 -1.23 0.00 0.31 -4.99 105.19 106.20 3kuw n GLY 83 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3kuw n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kuw s LEU 84 N 0.00 3.75 -0.24 0.99 1.43 -1.23 -4.75 118.68 118.63 3kuw s LEU 84 Ca 0.00 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.24 3kuw s LEU 84 Cb 0.00 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 3kuw s LEU 84 CO 0.00 -0.47 0.21 -0.89 0.23 0.00 0.00 176.35 175.42 3kuw s THR 85 N -2.48 5.32 -0.27 5.49 2.01 -1.25 -1.04 115.64 123.42 3kuw s THR 85 Ca 0.53 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.64 3kuw s THR 85 Cb -0.10 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3kuw s THR 85 CO 0.33 0.31 0.43 -0.69 -0.69 0.00 0.00 174.62 174.31 3kuw s VAL 86 N 1.21 5.13 -0.25 3.82 1.01 0.15 -3.62 120.40 127.85 3kuw s VAL 86 Ca 0.09 0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.65 3kuw s VAL 86 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3kuw s VAL 86 CO 0.06 0.12 0.10 -0.89 0.00 0.00 0.00 175.10 174.49 3kuw s THR 87 N 2.16 4.69 -0.19 3.92 2.01 0.74 -1.33 115.64 127.64 3kuw s THR 87 Ca 0.17 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 3kuw s THR 87 Cb -0.16 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3kuw s THR 87 CO 0.10 0.33 0.16 -0.69 -0.69 0.00 0.00 174.62 173.83 3kuw s VAL 88 N 1.46 5.40 -0.18 3.82 1.01 0.08 -1.90 120.40 130.09 3kuw s VAL 88 Ca 0.06 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 3kuw s VAL 88 Cb -0.15 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3kuw s VAL 88 CO 0.05 0.45 -0.09 -0.89 0.00 0.00 0.00 175.10 174.63 3kuw s THR 89 N 0.23 3.16 -0.20 3.92 2.01 0.33 -0.95 115.64 124.15 3kuw s THR 89 Ca 0.10 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3kuw s THR 89 Cb -0.11 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 3kuw s THR 89 CO -0.00 0.47 -0.07 0.00 -0.69 0.00 0.00 174.62 174.33 3kuw s ALA 90 N 1.05 2.76 -0.26 7.40 0.00 0.39 -0.73 121.76 132.38 3kuw s ALA 90 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 3kuw s ALA 90 Cb -0.15 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.39 3kuw s ALA 90 CO -0.01 -0.32 -0.00 -2.00 0.00 0.00 0.00 175.76 173.43 3kuw s GLU 91 N 1.29 3.05 0.13 0.00 2.12 0.69 -0.44 118.70 125.52 3kuw s GLU 91 Ca 0.03 -0.86 -0.31 0.00 0.36 0.00 0.00 54.97 54.19 3kuw s GLU 91 Cb -0.14 -3.14 -0.09 0.00 0.26 0.00 0.00 34.13 31.02 3kuw s GLU 91 CO -0.03 -0.37 1.46 -1.17 -0.54 0.00 0.00 175.26 174.61 3kuw s LEU 92 N 1.42 4.37 -0.20 2.70 2.96 -0.38 -1.14 118.68 128.41 3kuw s LEU 92 Ca 0.02 2.42 0.08 0.00 -0.22 0.00 0.00 54.13 56.43 3kuw s LEU 92 Cb -0.16 -3.59 -0.18 0.00 0.50 0.00 0.00 46.19 42.76 3kuw s LEU 92 CO -0.01 -0.73 -0.09 0.54 -1.32 0.00 0.00 176.35 174.74 3kuw n ARG 93 N 4.09 0.80 -3.54 1.98 5.12 0.94 -0.57 116.66 125.47 3kuw n ARG 93 Ca 0.13 0.07 -0.16 0.00 -1.93 0.00 0.00 57.85 55.96 3kuw n ARG 93 Cb 0.41 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.20 3kuw n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kuw s SER 94 N -5.76 -0.61 -0.13 0.55 1.04 -1.09 -4.87 113.70 102.84 3kuw s SER 94 Ca -0.21 0.73 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 3kuw s SER 94 Cb 0.07 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.82 3kuw s SER 94 CO 0.61 -0.52 0.07 -0.69 0.98 0.00 0.00 173.24 173.69 3kuw s VAL 95 N -1.00 -0.01 -0.32 5.02 1.01 -1.26 -1.90 120.40 121.95 3kuw s VAL 95 Ca -0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3kuw s VAL 95 Cb -0.01 -0.49 0.11 0.00 0.00 0.00 0.00 36.38 35.99 3kuw s VAL 95 CO 0.07 -0.11 0.14 -1.61 0.00 0.00 0.00 175.10 173.59 3kuw s GLU 96 N 2.11 0.51 7.11 2.72 2.02 0.23 -5.03 118.70 128.38 3kuw s GLU 96 Ca 0.03 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.07 3kuw s GLU 96 Cb -0.15 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.52 3kuw s GLU 96 CO -0.07 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 174.57 3kuw n GLY 97 N 4.80 2.65 0.01 -1.39 0.00 -1.26 -1.33 105.19 108.68 3kuw n GLY 97 Ca -0.01 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.17 3kuw n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kuw n ARG 98 N 7.38 0.08 -3.86 1.61 1.85 -1.26 -4.88 116.66 117.58 3kuw n ARG 98 Ca 0.00 -0.03 -0.35 0.00 -1.00 0.00 0.00 57.85 56.47 3kuw n ARG 98 Cb 0.00 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.81 3kuw n ARG 98 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 3kuw s ARG 99 N -2.94 3.95 0.07 2.89 1.04 -0.44 -0.40 118.95 123.12 3kuw s ARG 99 Ca 0.14 -0.35 0.06 0.00 -1.04 0.00 0.00 55.73 54.55 3kuw s ARG 99 Cb 0.18 -3.33 -0.03 0.00 -2.04 0.00 0.00 34.95 29.74 3kuw s ARG 99 CO 0.59 0.13 -0.17 -0.51 -0.04 0.00 0.00 175.30 175.30 3kuw s LEU 100 N 0.79 2.26 0.02 -1.89 1.02 -0.51 -0.60 118.68 119.77 3kuw s LEU 100 Ca 0.05 -0.61 -0.04 0.00 0.02 0.00 0.00 54.13 53.56 3kuw s LEU 100 Cb -0.13 -0.70 -0.01 0.00 0.02 0.00 0.00 46.19 45.37 3kuw s LEU 100 CO 0.02 0.01 0.05 -0.94 0.02 0.00 0.00 176.35 175.51 3kuw s SER 101 N -1.65 0.16 0.08 2.29 1.04 -0.80 -1.25 113.70 113.58 3kuw s SER 101 Ca 0.02 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.09 3kuw s SER 101 Cb -0.10 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 3kuw s SER 101 CO 0.03 -0.38 -0.17 0.26 0.98 0.00 0.00 173.24 173.96 3kuw s TRP 102 N -1.75 1.44 -0.15 5.02 0.51 -0.33 -0.04 118.94 123.64 3kuw s TRP 102 Ca -0.13 -0.43 -0.23 0.00 -2.12 0.00 0.00 56.10 53.20 3kuw s TRP 102 Cb -0.07 -0.81 -0.03 0.00 -0.81 0.00 0.00 33.47 31.76 3kuw s TRP 102 CO -0.01 0.11 0.70 0.50 -0.51 0.00 0.00 176.95 177.73 3kuw s ARG 103 N -1.73 4.29 -0.03 4.98 6.06 -0.29 -1.68 118.95 130.56 3kuw s ARG 103 Ca 0.02 0.78 0.01 0.00 -2.50 0.00 0.00 55.73 54.04 3kuw s ARG 103 Cb -0.10 -3.54 -0.03 0.00 0.06 0.00 0.00 34.95 31.34 3kuw s ARG 103 CO 0.03 -0.17 -0.01 0.14 -2.50 0.00 0.00 175.30 172.78 3kuw s VAL 104 N 1.65 4.10 0.06 7.11 -7.23 0.62 -0.22 120.40 126.49 3kuw s VAL 104 Ca 0.33 -0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 59.94 3kuw s VAL 104 Cb -0.16 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 3kuw s VAL 104 CO 0.13 0.46 0.08 -0.94 -0.31 0.00 0.00 175.10 174.51 3kuw s SER 105 N -1.31 0.27 -0.02 4.85 1.04 0.09 -1.17 113.70 117.45 3kuw s SER 105 Ca 0.17 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.83 3kuw s SER 105 Cb -0.11 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.27 3kuw s SER 105 CO 0.07 -0.61 0.09 0.00 0.98 0.00 0.00 173.24 173.77 3kuw s ALA 106 N -3.48 -0.22 -0.03 5.32 0.00 -0.65 -0.51 121.76 122.19 3kuw s ALA 106 Ca 0.02 0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 3kuw s ALA 106 Cb 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3kuw s ALA 106 CO -0.09 -0.08 0.15 -1.58 0.00 0.00 0.00 175.76 174.16 3kuw s HIS 107 N -0.34 -0.07 -0.24 0.00 2.46 -0.80 -0.73 115.29 115.57 3kuw s HIS 107 Ca -0.04 0.17 0.16 0.00 0.47 0.00 0.00 55.06 55.82 3kuw s HIS 107 Cb -0.03 0.01 0.64 0.00 -0.13 0.00 0.00 32.58 33.07 3kuw s HIS 107 CO 0.00 -0.17 1.54 -0.40 -2.47 0.00 0.00 174.74 173.24 3kuw n ASP 108 N 2.30 4.55 0.00 9.88 5.68 -0.38 -0.18 116.55 138.40 3kuw n ASP 108 Ca -0.17 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.16 3kuw n ASP 108 Cb 0.57 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3kuw n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kuw n GLY 109 N -0.06 2.99 0.82 6.12 0.00 -1.24 -3.95 105.19 109.89 3kuw n GLY 109 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 3kuw n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kuw n VAL 110 N -2.00 0.66 -4.39 1.61 0.31 -1.26 -5.07 118.33 108.19 3kuw n VAL 110 Ca 0.00 0.06 -0.28 0.00 -0.01 0.00 0.00 64.34 64.12 3kuw n VAL 110 Cb 0.00 -1.64 -0.13 0.00 -0.91 0.00 0.00 33.84 31.16 3kuw n VAL 110 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3kuw s ASP 111 N -5.69 3.25 0.20 4.52 1.01 -1.26 -5.11 116.67 113.59 3kuw s ASP 111 Ca -0.08 -0.78 -0.32 0.00 0.71 0.00 0.00 52.55 52.08 3kuw s ASP 111 Cb 0.02 -0.22 -0.12 0.00 1.01 0.00 0.00 42.92 43.62 3kuw s ASP 111 CO 0.10 0.14 1.73 1.21 0.21 0.00 0.00 175.17 178.56 3kuw n GLU 112 N 0.74 2.76 -0.00 8.23 4.07 -1.26 -1.25 120.64 133.93 3kuw n GLU 112 Ca -0.17 1.00 0.06 0.00 -0.06 0.00 0.00 57.16 58.00 3kuw n GLU 112 Cb 0.54 -2.84 -0.08 0.00 -0.06 0.00 0.00 31.44 29.00 3kuw n GLU 112 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 3kuw n ILE 113 N 3.99 0.00 0.00 6.31 -5.35 0.09 -4.29 119.36 120.12 3kuw n ILE 113 Ca 0.16 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3kuw n ILE 113 Cb 0.35 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 3kuw n ILE 113 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kuw n GLY 114 N 1.36 2.28 3.62 3.28 0.00 -1.23 0.34 105.19 114.85 3kuw n GLY 114 Ca 0.02 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 3kuw n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kuw s SER 115 N 0.00 -0.41 0.00 1.61 1.04 -1.22 -1.64 113.70 113.08 3kuw s SER 115 Ca 0.00 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3kuw s SER 115 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3kuw s SER 115 CO 0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.74 3kuw n GLY 116 N -0.41 -0.62 3.20 7.32 0.00 -0.32 -1.44 105.19 112.92 3kuw n GLY 116 Ca -0.11 -0.40 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 3kuw n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kuw s THR 117 N -4.00 1.18 -0.00 2.61 -4.23 -0.42 -0.28 115.64 110.50 3kuw s THR 117 Ca 0.00 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 3kuw s THR 117 Cb 0.00 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.52 3kuw s THR 117 CO 0.00 -0.36 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.43 3kuw s HIS 118 N -1.84 0.11 0.04 3.99 5.04 -0.68 -1.15 115.29 120.82 3kuw s HIS 118 Ca 0.04 -0.01 0.09 0.00 -1.54 0.00 0.00 55.06 53.64 3kuw s HIS 118 Cb -0.07 -0.10 -0.03 0.00 0.04 0.00 0.00 32.58 32.42 3kuw s HIS 118 CO 0.02 -0.02 -0.25 -1.21 -2.34 0.00 0.00 174.74 170.95 3kuw s GLU 119 N 0.13 1.85 0.04 2.88 8.01 -0.62 -1.18 118.70 129.82 3kuw s GLU 119 Ca -0.01 -1.09 0.01 0.00 0.01 0.00 0.00 54.97 53.89 3kuw s GLU 119 Cb -0.02 -2.02 -0.03 0.00 -4.31 0.00 0.00 34.13 27.75 3kuw s GLU 119 CO -0.00 0.52 -0.06 1.03 0.01 0.00 0.00 175.26 176.76 3kuw s ARG 120 N -1.27 0.50 -0.04 1.61 0.52 -0.38 -0.79 118.95 119.10 3kuw s ARG 120 Ca 0.12 -0.82 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 3kuw s ARG 120 Cb -0.10 -0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.25 3kuw s ARG 120 CO 0.03 -0.01 -0.23 0.00 0.02 0.00 0.00 175.30 175.11 3kuw s ALA 121 N -1.89 1.98 0.18 2.13 0.00 -0.10 -1.43 121.76 122.63 3kuw s ALA 121 Ca -0.08 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 3kuw s ALA 121 Cb -0.07 -0.58 -0.08 0.00 0.00 0.00 0.00 23.12 22.39 3kuw s ALA 121 CO -0.02 0.42 1.13 0.08 0.00 0.00 0.00 175.76 177.37 3kuw s VAL 122 N -0.27 3.77 0.19 0.00 1.01 0.46 -1.19 120.40 124.36 3kuw s VAL 122 Ca 0.01 1.52 0.09 0.00 0.00 0.00 0.00 61.98 63.60 3kuw s VAL 122 Cb -0.12 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3kuw s VAL 122 CO 0.02 0.26 -0.18 0.27 0.00 0.00 0.00 175.10 175.47 3kuw s ILE 123 N -0.20 1.91 -0.31 2.22 -4.36 0.69 -4.93 121.20 116.22 3kuw s ILE 123 Ca 0.50 -2.07 -0.19 0.00 -0.26 0.00 0.00 60.65 58.63 3kuw s ILE 123 Cb -0.30 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 3kuw s ILE 123 CO 0.36 -0.40 0.57 -2.28 0.24 0.00 0.00 174.94 173.43 3kuw s HIS 124 N -2.35 3.21 0.29 1.37 5.65 -1.26 -0.55 115.29 121.65 3kuw s HIS 124 Ca 0.20 0.48 -0.02 0.00 0.25 0.00 0.00 55.06 55.97 3kuw s HIS 124 Cb -0.04 -2.92 0.42 0.00 -1.18 0.00 0.00 32.58 28.86 3kuw s HIS 124 CO 0.08 -0.45 1.95 -0.07 -0.65 0.00 0.00 174.74 175.60 3kuw h LEU 125 N 9.06 0.99 0.14 8.88 3.38 -1.37 0.89 115.31 137.27 3kuw h LEU 125 Ca -0.28 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.43 3kuw h LEU 125 Cb 1.12 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.64 3kuw h LEU 125 CO 0.77 0.70 -1.20 -0.33 0.09 0.00 0.00 178.44 178.48 3kuw h GLU 126 N 1.16 0.29 -0.58 1.13 3.07 -1.93 -1.93 114.58 115.78 3kuw h GLU 126 Ca 0.33 -0.49 0.08 0.00 -0.50 0.00 0.00 59.36 58.78 3kuw h GLU 126 Cb -0.08 0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 27.95 3kuw h GLU 126 CO -0.08 1.23 0.24 -0.22 -1.40 0.00 0.00 179.01 178.78 3kuw h LYS 127 N -0.30 0.43 -0.43 2.33 3.64 -1.90 -2.67 116.57 117.67 3kuw h LYS 127 Ca -0.24 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 3kuw h LYS 127 Cb 1.75 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.45 3kuw h LYS 127 CO 0.11 0.29 0.23 0.35 -2.27 0.00 0.00 179.45 178.15 3kuw h PHE 128 N 0.44 0.60 -0.80 1.91 3.57 -0.79 -2.57 116.94 119.30 3kuw h PHE 128 Ca 0.28 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.78 3kuw h PHE 128 Cb 0.31 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 3kuw h PHE 128 CO -0.15 0.47 0.53 -0.91 -2.23 0.00 0.00 178.31 176.02 3kuw h ASN 129 N 0.56 0.91 -0.97 0.41 2.35 -1.16 -1.20 115.58 116.48 3kuw h ASN 129 Ca 0.15 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 3kuw h ASN 129 Cb 0.07 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.16 3kuw h ASN 129 CO -0.02 0.66 0.64 0.00 -1.65 0.00 0.00 177.43 177.05 3kuw h ALA 130 N 1.30 1.37 -0.31 -0.83 0.00 -1.30 0.87 119.26 120.35 3kuw h ALA 130 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kuw h ALA 130 Cb -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 3kuw h ALA 130 CO -0.07 0.53 0.20 -0.22 0.00 0.00 0.00 179.25 179.69 3kuw h LYS 131 N 1.23 0.42 -0.36 0.00 3.64 -0.98 -1.78 116.57 118.75 3kuw h LYS 131 Ca 0.39 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 3kuw h LYS 131 Cb 0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3kuw h LYS 131 CO -0.12 0.31 -0.12 -0.39 -2.27 0.00 0.00 179.45 176.85 3kuw h VAL 132 N 0.41 1.28 -1.03 2.00 -1.51 -0.47 -3.05 116.25 113.89 3kuw h VAL 132 Ca 0.11 -1.21 0.26 0.00 -1.23 0.00 0.00 66.70 64.63 3kuw h VAL 132 Cb -0.01 1.33 -0.09 0.00 -2.13 0.00 0.00 31.29 30.38 3kuw h VAL 132 CO -0.02 0.40 0.66 0.03 -1.23 0.00 0.00 177.57 177.41 3kuw h ARG 133 N 0.50 0.40 0.00 5.19 3.08 -0.70 -1.39 114.38 121.46 3kuw h ARG 133 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3kuw h ARG 133 Cb 0.64 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 3kuw h ARG 133 CO 0.04 0.26 -0.11 0.37 -1.07 0.00 0.00 179.97 179.46 3kuw h GLN 134 N 0.41 0.00 -0.27 0.04 4.15 -1.21 -2.79 115.11 115.44 3kuw h GLN 134 Ca 0.58 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.00 3kuw h GLN 134 Cb 1.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.14 3kuw h GLN 134 CO -0.29 0.11 0.00 0.36 -1.93 0.00 0.00 178.83 177.08 3kuw n LYS 135 N -3.53 2.16 -2.73 1.69 2.85 -0.55 -4.99 118.16 113.07 3kuw n LYS 135 Ca -0.01 -1.84 -0.42 0.00 -1.05 0.00 0.00 58.31 54.99 3kuw n LYS 135 Cb 0.25 -1.28 -0.03 0.00 -0.65 0.00 0.00 35.03 33.32 3kuw n LYS 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3kuw s THR 136 N -1.02 4.88 -2.00 0.58 2.01 -1.04 -5.12 115.64 113.93 3kuw s THR 136 Ca 0.23 2.03 0.09 0.00 0.31 0.00 0.00 61.69 64.34 3kuw s THR 136 Cb 0.13 -4.31 0.26 0.00 0.01 0.00 0.00 72.50 68.59 3kuw s THR 136 CO 0.17 0.16 0.99 -0.81 -0.69 0.00 0.00 174.62 174.45