#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 4.18 0.37 0.03 1.70 -1.26 -4.99 118.95 118.98 3kuw s ARG 6 Ca 0.00 0.20 -0.28 0.00 -0.47 0.00 0.00 55.73 55.18 3kuw s ARG 6 Cb 0.00 -3.53 -0.11 0.00 -0.57 0.00 0.00 34.95 30.74 3kuw s ARG 6 CO 0.00 -0.02 1.46 0.28 -1.08 0.00 0.00 175.30 175.94 3kuw n VAL 7 N 4.30 2.00 -0.02 4.99 0.31 -1.26 -2.38 118.33 126.27 3kuw n VAL 7 Ca -0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3kuw n VAL 7 Cb 0.51 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 0.50 2.10 3.76 2.92 0.00 0.53 -4.97 105.19 110.03 3kuw n GLY 8 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3kuw n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kuw s GLU 9 N -0.29 4.29 -0.14 1.61 1.03 -1.00 -4.78 118.70 119.41 3kuw s GLU 9 Ca 0.00 2.29 -0.04 0.00 0.03 0.00 0.00 54.97 57.25 3kuw s GLU 9 Cb 0.00 -3.07 -0.03 0.00 -0.80 0.00 0.00 34.13 30.23 3kuw s GLU 9 CO 0.00 -0.31 0.00 1.03 -1.33 0.00 0.00 175.26 174.65 3kuw s ARG 10 N -1.38 3.59 0.00 -4.83 0.52 -1.26 -2.18 118.95 113.41 3kuw s ARG 10 Ca 0.53 -0.44 0.07 0.00 -0.52 0.00 0.00 55.73 55.37 3kuw s ARG 10 Cb -0.41 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 3kuw s ARG 10 CO 0.51 0.37 -0.22 0.12 0.02 0.00 0.00 175.30 176.11 3kuw s PHE 11 N 0.04 2.47 0.24 -0.53 5.36 -0.34 -4.97 117.98 120.24 3kuw s PHE 11 Ca 0.02 -0.33 0.11 0.00 -0.96 0.00 0.00 56.93 55.78 3kuw s PHE 11 Cb -0.13 -1.50 -0.05 0.00 -0.34 0.00 0.00 43.02 41.01 3kuw s PHE 11 CO 0.02 0.11 -0.21 0.95 -1.46 0.00 0.00 175.22 174.64 3kuw s THR 12 N -0.75 2.32 -0.16 0.12 -4.23 -1.26 -0.56 115.64 111.12 3kuw s THR 12 Ca 0.12 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 3kuw s THR 12 Cb -0.10 -2.18 0.08 0.00 1.34 0.00 0.00 72.50 71.63 3kuw s THR 12 CO 0.01 -0.32 0.25 -2.28 -0.54 0.00 0.00 174.62 171.74 3kuw s HIS 13 N -2.26 -0.40 -0.11 3.99 2.46 -0.30 -4.99 115.29 113.69 3kuw s HIS 13 Ca 0.25 0.73 -0.04 0.00 0.47 0.00 0.00 55.06 56.47 3kuw s HIS 13 Cb -0.06 -0.14 -0.04 0.00 -0.13 0.00 0.00 32.58 32.22 3kuw s HIS 13 CO 0.12 -0.45 0.04 -0.51 -2.47 0.00 0.00 174.74 171.47 3kuw s ASP 14 N 2.39 5.52 -0.17 9.88 1.01 -1.26 -1.20 116.67 132.85 3kuw s ASP 14 Ca 0.04 0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.45 3kuw s ASP 14 Cb -0.13 -1.68 0.08 0.00 1.01 0.00 0.00 42.92 42.20 3kuw s ASP 14 CO -0.10 0.35 0.25 0.12 0.21 0.00 0.00 175.17 176.00 3kuw s PHE 15 N -0.70 -0.38 -0.19 4.23 5.36 -0.10 -5.00 117.98 121.20 3kuw s PHE 15 Ca 0.12 0.64 -0.29 0.00 -0.96 0.00 0.00 56.93 56.43 3kuw s PHE 15 Cb -0.12 -0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.37 3kuw s PHE 15 CO 0.02 -0.48 1.32 0.08 -1.46 0.00 0.00 175.22 174.70 3kuw s VAL 16 N 2.39 4.17 -0.05 3.12 1.01 -1.26 -0.46 120.40 129.32 3kuw s VAL 16 Ca 0.05 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 3kuw s VAL 16 Cb -0.14 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3kuw s VAL 16 CO -0.10 -0.21 1.39 -0.69 0.00 0.00 0.00 175.10 175.49 3kuw s VAL 17 N 3.81 3.88 0.60 2.92 1.01 0.34 -4.91 120.40 128.04 3kuw s VAL 17 Ca 0.57 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.72 3kuw s VAL 17 Cb -0.22 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.44 3kuw s VAL 17 CO 0.18 -0.04 0.87 -2.16 0.00 0.00 0.00 175.10 173.95 3kuw s PRO 18 N 2.88 2.47 0.46 2.72 0.04 -1.26 -0.57 135.00 141.74 3kuw s PRO 18 Ca 0.62 -0.52 0.20 0.00 0.04 0.00 0.00 61.00 61.34 3kuw s PRO 18 Cb -0.29 -2.36 1.17 0.00 0.04 0.00 0.00 34.50 33.07 3kuw s PRO 18 CO 0.24 -0.88 1.91 -1.35 0.04 0.00 0.00 177.00 176.95 3kuw h PRO 19 N -0.18 0.28 -0.36 0.56 0.11 -1.95 -2.55 132.00 127.91 3kuw h PRO 19 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kuw h PRO 19 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kuw h PRO 19 CO 0.56 0.19 0.00 -2.39 -0.21 0.00 0.00 178.00 176.15 3kuw n HIS 20 N -4.44 0.11 -1.10 0.65 1.44 -1.26 -3.54 115.22 107.07 3kuw n HIS 20 Ca 0.15 -0.05 0.08 0.00 -2.01 0.00 0.00 57.72 55.90 3kuw n HIS 20 Cb 0.64 -0.04 0.21 0.00 0.12 0.00 0.00 29.99 30.92 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 -0.20 2.14 -2.27 -1.40 4.76 -0.96 -4.78 118.16 115.44 3kuw n LYS 21 Ca 0.02 -2.81 -0.26 0.00 -2.87 0.00 0.00 58.31 52.39 3kuw n LYS 21 Cb 0.14 -1.71 0.13 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.91 2.11 0.19 -0.18 -4.23 -1.23 -2.36 115.64 107.03 3kuw s THR 22 Ca 0.39 -0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 3kuw s THR 22 Cb 0.33 -2.80 0.11 0.00 1.34 0.00 0.00 72.50 71.47 3kuw s THR 22 CO 0.05 0.00 1.81 0.58 -0.54 0.00 0.00 174.62 176.52 3kuw h VAL 23 N -0.95 1.00 0.00 2.29 2.07 -1.64 -1.49 116.25 117.53 3kuw h VAL 23 Ca -0.41 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3kuw h VAL 23 Cb 1.26 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3kuw h VAL 23 CO 0.43 0.12 -0.06 0.08 0.02 0.00 0.00 177.57 178.16 3kuw h ARG 24 N 0.64 0.00 0.00 1.57 0.11 -1.88 -1.63 114.38 113.19 3kuw h ARG 24 Ca 0.25 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.30 3kuw h ARG 24 Cb 0.10 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 3kuw h ARG 24 CO -0.14 0.06 -0.20 0.45 0.10 0.00 0.00 179.97 180.25 3kuw h HIS 25 N 0.00 0.00 -0.29 4.08 3.86 -1.58 -3.09 115.15 118.13 3kuw h HIS 25 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3kuw h HIS 25 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3kuw h HIS 25 CO 0.00 0.13 -0.05 1.25 0.86 0.00 0.00 177.93 180.12 3kuw h LEU 26 N 0.00 0.55 -6.86 2.43 5.85 -1.14 -3.38 115.31 112.75 3kuw h LEU 26 Ca -0.00 -0.35 -0.61 0.00 0.84 0.00 0.00 57.88 57.75 3kuw h LEU 26 Cb 1.11 -0.15 -0.40 0.00 0.37 0.00 0.00 40.66 41.58 3kuw h LEU 26 CO 0.02 0.77 -0.74 -0.31 -0.34 0.00 0.00 178.44 177.84 3kuw s TYR 27 N -4.82 2.37 0.24 1.25 2.02 -1.24 -4.95 117.35 112.21 3kuw s TYR 27 Ca -0.13 -2.77 0.36 0.00 -0.37 0.00 0.00 57.07 54.16 3kuw s TYR 27 Cb 0.08 -1.95 1.75 0.00 -0.40 0.00 0.00 41.96 41.43 3kuw s TYR 27 CO 0.77 -0.71 2.08 -1.35 -1.57 0.00 0.00 175.55 174.78 3kuw h PRO 28 N 5.92 0.00 0.00 -1.71 0.11 -1.73 -1.62 132.00 132.97 3kuw h PRO 28 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3kuw h PRO 28 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3kuw h PRO 28 CO 0.55 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 3kuw n GLU 29 N -2.91 0.96 -3.61 1.05 0.00 -1.26 -4.73 120.64 110.14 3kuw n GLU 29 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.76 3kuw n GLU 29 Cb 0.17 -1.46 -0.11 0.00 0.00 0.00 0.00 31.44 30.04 3kuw n GLU 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3kuw s SER 30 N -1.93 5.76 0.36 -1.84 0.15 -0.61 -4.98 113.70 110.61 3kuw s SER 30 Ca 0.43 -0.35 0.10 0.00 0.70 0.00 0.00 55.95 56.82 3kuw s SER 30 Cb 0.20 -2.06 0.67 0.00 -1.71 0.00 0.00 66.02 63.12 3kuw s SER 30 CO 0.33 -0.16 1.83 -0.65 1.20 0.00 0.00 173.24 175.79 3kuw h PRO 31 N 8.39 0.15 -0.19 5.44 0.11 -1.87 -2.98 132.00 141.05 3kuw h PRO 31 Ca -0.33 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.75 3kuw h PRO 31 Cb 1.16 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kuw h PRO 31 CO 0.60 0.44 0.04 0.93 -0.21 0.00 0.00 178.00 179.80 3kuw h GLU 32 N 0.14 0.11 0.00 1.05 3.07 -1.96 -2.84 114.58 114.16 3kuw h GLU 32 Ca 0.02 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3kuw h GLU 32 Cb 0.59 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3kuw h GLU 32 CO 0.04 0.07 0.00 0.74 -1.40 0.00 0.00 179.01 178.47 3kuw h PHE 33 N 0.12 0.00 0.00 4.33 0.05 -1.87 -3.10 116.94 116.47 3kuw h PHE 33 Ca 0.09 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.84 3kuw h PHE 33 Cb 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 3kuw h PHE 33 CO -0.14 0.00 -0.18 0.00 -0.18 0.00 0.00 178.31 177.81 3kuw h ALA 34 N 2.07 1.68 -0.01 2.45 0.00 -1.35 -2.70 119.26 121.41 3kuw h ALA 34 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kuw h ALA 34 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kuw h ALA 34 CO 0.00 0.23 -0.39 0.39 0.00 0.00 0.00 179.25 179.48 3kuw n GLU 35 N -4.30 1.13 -1.47 0.00 -0.58 -1.17 -4.94 120.64 109.30 3kuw n GLU 35 Ca -0.02 -0.87 -0.34 0.00 -0.42 0.00 0.00 57.16 55.51 3kuw n GLU 35 Cb 0.25 -1.48 0.09 0.00 -0.57 0.00 0.00 31.44 29.72 3kuw n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3kuw s PHE 36 N -2.47 2.13 0.68 -0.32 0.08 -1.02 -5.00 117.98 112.06 3kuw s PHE 36 Ca 0.21 1.60 -0.17 0.00 0.12 0.00 0.00 56.93 58.69 3kuw s PHE 36 Cb 0.19 -3.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 3kuw s PHE 36 CO 0.55 -2.47 0.63 -2.30 -0.10 0.00 0.00 175.22 171.53 3kuw n PRO 37 N -2.69 0.44 -2.67 0.24 -0.02 -1.26 -4.85 135.00 124.18 3kuw n PRO 37 Ca 0.13 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 3kuw n PRO 37 Cb 0.50 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.77 3.41 -4.01 -0.52 -0.58 -1.26 -4.52 120.64 112.39 3kuw n GLU 38 Ca 0.11 -3.65 -0.09 0.00 -0.42 0.00 0.00 57.16 53.11 3kuw n GLU 38 Cb 0.49 -3.06 -0.11 0.00 -0.57 0.00 0.00 31.44 28.19 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 1.51 0.19 0.10 2.62 -7.23 -1.26 -4.40 120.40 111.93 3kuw s VAL 39 Ca 0.43 -1.05 -0.32 0.00 -1.81 0.00 0.00 61.98 59.24 3kuw s VAL 39 Cb 0.02 -0.47 -0.11 0.00 0.56 0.00 0.00 36.38 36.39 3kuw s VAL 39 CO 0.01 -0.55 1.83 0.33 -0.31 0.00 0.00 175.10 176.41 3kuw n PHE 40 N 1.39 2.55 -2.35 2.82 -0.00 -0.21 -2.03 117.46 119.63 3kuw n PHE 40 Ca -0.23 -0.11 -0.41 0.00 -0.00 0.00 0.00 57.45 56.71 3kuw n PHE 40 Cb 0.56 -2.71 -0.03 0.00 -0.00 0.00 0.00 39.48 37.29 3kuw n PHE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kuw s ALA 41 N 2.84 3.45 0.30 3.13 0.00 -1.00 -4.78 121.76 125.70 3kuw s ALA 41 Ca 0.83 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.85 3kuw s ALA 41 Cb -0.52 -3.40 0.79 0.00 0.00 0.00 0.00 23.12 20.00 3kuw s ALA 41 CO 0.39 -0.36 1.64 0.77 0.00 0.00 0.00 175.76 178.21 3kuw h SER 42 N 4.29 0.05 -0.46 0.00 0.02 -1.94 -0.11 113.55 115.40 3kuw h SER 42 Ca -0.46 0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 3kuw h SER 42 Cb 1.22 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.00 3kuw h SER 42 CO 0.70 -0.18 0.19 1.23 -1.14 0.00 0.00 176.83 177.62 3kuw h GLY 43 N 0.20 0.79 1.64 -3.77 0.00 -1.99 0.05 103.07 99.98 3kuw h GLY 43 Ca 0.59 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 3kuw h GLY 43 CO -0.68 0.38 -0.53 0.74 0.00 0.00 0.00 176.54 176.45 3kuw h PHE 44 N 0.73 0.47 -0.47 5.60 0.04 -1.58 -1.91 116.94 119.83 3kuw h PHE 44 Ca 0.17 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3kuw h PHE 44 Cb 0.17 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3kuw h PHE 44 CO 0.01 0.83 -0.01 1.98 -0.60 0.00 0.00 178.31 180.52 3kuw h MET 45 N 0.30 0.83 -0.23 1.51 4.05 -0.59 -1.24 114.93 119.56 3kuw h MET 45 Ca 0.01 -0.27 0.03 0.00 -0.28 0.00 0.00 59.70 59.19 3kuw h MET 45 Cb 1.03 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.73 3kuw h MET 45 CO 0.09 0.88 0.04 0.28 0.23 0.00 0.00 176.91 178.44 3kuw h VAL 46 N 0.68 0.89 -0.67 -5.77 2.07 -0.97 -1.36 116.25 111.13 3kuw h VAL 46 Ca 0.13 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3kuw h VAL 46 Cb 0.52 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3kuw h VAL 46 CO 0.03 0.02 0.37 1.23 0.02 0.00 0.00 177.57 179.24 3kuw h GLY 47 N 0.13 0.99 0.99 2.17 0.00 -1.15 -1.44 103.07 104.76 3kuw h GLY 47 Ca 0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 3kuw h GLY 47 CO -0.14 0.41 0.13 -2.00 0.00 0.00 0.00 176.54 174.95 3kuw h LEU 48 N 0.94 0.81 -0.57 3.11 5.85 -0.90 0.49 115.31 125.04 3kuw h LEU 48 Ca 0.24 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3kuw h LEU 48 Cb 0.01 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3kuw h LEU 48 CO -0.04 0.83 0.34 0.24 -0.34 0.00 0.00 178.44 179.47 3kuw h MET 49 N 0.75 0.78 -0.06 1.25 2.86 -0.93 -2.01 114.93 117.58 3kuw h MET 49 Ca 0.17 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3kuw h MET 49 Cb 0.34 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3kuw h MET 49 CO 0.00 0.57 0.03 0.93 1.06 0.00 0.00 176.91 179.51 3kuw h GLU 50 N 0.77 0.08 -0.60 1.72 5.08 -1.11 -2.25 114.58 118.26 3kuw h GLU 50 Ca 0.20 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.66 3kuw h GLU 50 Cb -0.00 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.15 3kuw h GLU 50 CO -0.04 0.09 0.17 2.35 -1.00 0.00 0.00 179.01 180.58 3kuw h TRP 51 N 0.04 0.28 -0.60 4.33 7.01 -0.75 0.82 115.95 127.08 3kuw h TRP 51 Ca 0.02 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.10 3kuw h TRP 51 Cb 0.03 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 3kuw h TRP 51 CO -0.06 0.03 0.33 0.00 -2.79 0.00 0.00 178.44 175.95 3kuw h ALA 52 N 1.45 0.79 -0.53 2.65 0.00 -1.24 -0.04 119.26 122.34 3kuw h ALA 52 Ca 0.31 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kuw h ALA 52 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kuw h ALA 52 CO -0.36 0.01 -0.00 0.00 0.00 0.00 0.00 179.25 178.91 3kuw h VAL 54 N 0.82 0.80 -0.89 0.00 2.07 -0.54 0.11 116.25 118.61 3kuw h VAL 54 Ca 0.15 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3kuw h VAL 54 Cb 0.53 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3kuw h VAL 54 CO 0.03 0.04 0.53 0.03 0.02 0.00 0.00 177.57 178.23 3kuw h ARG 55 N 0.24 1.21 -0.30 1.57 3.08 -0.96 -1.91 114.38 117.31 3kuw h ARG 55 Ca 0.20 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3kuw h ARG 55 Cb 0.24 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3kuw h ARG 55 CO -0.25 0.85 -0.02 0.00 -1.07 0.00 0.00 179.97 179.48 3kuw h ALA 56 N 1.29 0.40 0.00 0.04 0.00 -0.78 -3.13 119.26 117.08 3kuw h ALA 56 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kuw h ALA 56 Cb -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kuw h ALA 56 CO -0.06 0.17 -0.01 0.52 0.00 0.00 0.00 179.25 179.87 3kuw h MET 57 N 0.32 0.00 -0.62 0.00 2.86 -0.60 -3.40 114.93 113.49 3kuw h MET 57 Ca 0.08 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.83 3kuw h MET 57 Cb 0.46 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.05 3kuw h MET 57 CO 0.02 0.01 0.21 0.00 1.06 0.00 0.00 176.91 178.21 3kuw h ALA 58 N 1.99 0.80 -0.00 6.32 0.00 -1.29 -2.25 119.26 124.83 3kuw h ALA 58 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kuw h ALA 58 Cb 0.53 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kuw h ALA 58 CO 0.00 -0.22 -0.00 -0.35 0.00 0.00 0.00 179.25 178.68 3kuw n PRO 59 N -5.03 1.03 -0.19 0.00 -0.04 -1.26 -2.99 135.00 126.52 3kuw n PRO 59 Ca 0.09 -0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.52 3kuw n PRO 59 Cb 0.30 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.46 3kuw n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kuw n TYR 60 N -0.88 0.51 -3.28 0.54 4.01 -0.85 -4.99 117.16 112.22 3kuw n TYR 60 Ca 0.22 -0.33 -0.30 0.00 -0.16 0.00 0.00 57.90 57.34 3kuw n TYR 60 Cb 0.16 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 3kuw n TYR 60 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kuw s LEU 61 N -1.18 4.05 0.62 7.72 1.43 -1.16 -5.01 118.68 125.14 3kuw s LEU 61 Ca 0.33 0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 54.19 3kuw s LEU 61 Cb 0.18 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3kuw s LEU 61 CO 0.25 -0.19 0.95 -1.61 0.23 0.00 0.00 176.35 175.97 3kuw s GLU 62 N -3.40 2.93 0.37 1.70 0.41 -1.26 -4.98 118.70 114.47 3kuw s GLU 62 Ca 0.46 0.12 -0.28 0.00 -0.41 0.00 0.00 54.97 54.87 3kuw s GLU 62 Cb -0.11 -2.21 -0.10 0.00 -1.78 0.00 0.00 34.13 29.93 3kuw s GLU 62 CO 0.28 -0.76 1.36 -2.14 -0.49 0.00 0.00 175.26 173.51 3kuw s PRO 63 N -5.07 4.15 0.00 0.39 0.02 -1.26 -2.10 135.00 131.13 3kuw s PRO 63 Ca 0.55 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.88 3kuw s PRO 63 Cb -0.11 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3kuw s PRO 63 CO 0.47 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 3kuw n GLY 64 N 0.66 1.82 3.90 0.52 0.00 -1.26 -5.06 105.19 105.77 3kuw n GLY 64 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.78 3.63 0.00 1.61 2.02 -0.89 -1.62 118.70 122.66 3kuw s GLU 65 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.95 3kuw s GLU 65 Cb 0.00 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3kuw s GLU 65 CO 0.00 0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.98 3kuw n GLY 66 N -0.67 5.20 3.54 -1.39 0.00 -0.43 -4.84 105.19 106.59 3kuw n GLY 66 Ca -0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 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 1.09 -0.16 0.04 1.61 1.04 -1.26 -1.24 113.70 114.81 3kuw s SER 67 Ca 0.00 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.80 3kuw s SER 67 Cb 0.00 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 3kuw s SER 67 CO 0.00 -1.08 -0.15 -0.76 0.98 0.00 0.00 173.24 172.24 3kuw s LEU 68 N -2.93 2.18 -0.05 2.42 1.43 0.14 -4.90 118.68 116.97 3kuw s LEU 68 Ca 0.14 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 3kuw s LEU 68 Cb -0.01 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 3kuw s LEU 68 CO 0.02 0.03 1.04 -0.83 0.23 0.00 0.00 176.35 176.84 3kuw s GLY 69 N -1.21 2.51 -0.01 -3.19 0.00 -1.26 -1.35 107.32 102.82 3kuw s GLY 69 Ca 0.02 0.50 0.12 0.00 0.00 0.00 0.00 44.72 45.35 3kuw s GLY 69 CO 0.01 1.89 0.41 -1.30 0.00 0.00 0.00 173.10 174.12 3kuw n THR 70 N 4.30 0.00 -3.56 0.90 -2.24 0.87 -4.95 114.28 109.61 3kuw n THR 70 Ca 0.08 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3kuw n THR 70 Cb 0.49 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 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 -2.34 -1.88 -0.04 6.98 0.00 -1.18 -4.97 121.76 118.33 3kuw s ALA 71 Ca 0.01 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.36 3kuw s ALA 71 Cb 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3kuw s ALA 71 CO 0.48 -0.37 0.17 -1.50 0.00 0.00 0.00 175.76 174.55 3kuw s ILE 72 N -1.36 0.04 -0.30 0.00 2.07 -1.26 -1.84 121.20 118.54 3kuw s ILE 72 Ca -0.03 -0.31 -0.00 0.00 -1.41 0.00 0.00 60.65 58.90 3kuw s ILE 72 Cb -0.00 -0.35 0.13 0.00 0.13 0.00 0.00 42.46 42.37 3kuw s ILE 72 CO 0.02 -0.17 0.28 0.00 -1.91 0.00 0.00 174.94 173.16 3kuw s VAL 74 N 2.17 0.13 0.51 0.00 -7.23 -1.26 -0.78 120.40 113.93 3kuw s VAL 74 Ca 0.11 -1.08 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3kuw s VAL 74 Cb -0.15 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 3kuw s VAL 74 CO -0.29 -0.60 0.84 0.42 -0.31 0.00 0.00 175.10 175.17 3kuw s THR 75 N -2.54 4.86 -0.28 5.32 -4.23 -0.89 -4.95 115.64 112.94 3kuw s THR 75 Ca -0.06 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 3kuw s THR 75 Cb -0.02 -3.87 0.09 0.00 1.34 0.00 0.00 72.50 70.05 3kuw s THR 75 CO -0.04 -0.91 0.07 -2.28 -0.54 0.00 0.00 174.62 170.92 3kuw s HIS 76 N -2.83 1.57 -0.94 3.99 2.46 -1.26 -3.72 115.29 114.56 3kuw s HIS 76 Ca 0.49 -1.52 0.15 0.00 0.47 0.00 0.00 55.06 54.64 3kuw s HIS 76 Cb -0.10 -1.53 -0.10 0.00 -0.13 0.00 0.00 32.58 30.71 3kuw s HIS 76 CO 0.47 -0.81 0.69 0.25 -2.47 0.00 0.00 174.74 172.86 3kuw n THR 77 N 4.89 0.00 -3.55 0.89 -2.24 0.27 -4.98 114.28 109.56 3kuw n THR 77 Ca -0.04 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.35 3kuw n THR 77 Cb 0.43 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 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 -2.15 -1.52 0.18 6.98 0.00 -1.25 -4.98 121.76 119.02 3kuw s ALA 78 Ca 0.08 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.02 3kuw s ALA 78 Cb 0.11 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3kuw s ALA 78 CO 0.51 -0.43 0.18 0.00 0.00 0.00 0.00 175.76 176.02 3kuw s ALA 79 N -1.79 3.66 -0.09 0.00 0.00 -1.26 -4.80 121.76 117.48 3kuw s ALA 79 Ca -0.09 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 3kuw s ALA 79 Cb -0.01 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.69 3kuw s ALA 79 CO 0.04 0.46 -0.01 0.99 0.00 0.00 0.00 175.76 177.24 3kuw s THR 80 N -1.82 0.52 0.55 0.00 2.01 -1.26 -5.01 115.64 110.62 3kuw s THR 80 Ca 0.32 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.12 3kuw s THR 80 Cb -0.10 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 3kuw s THR 80 CO 0.25 0.22 1.03 -2.16 -0.69 0.00 0.00 174.62 173.27 3kuw s PRO 81 N 1.91 3.62 0.45 4.92 0.04 -1.26 -1.05 135.00 143.63 3kuw s PRO 81 Ca 0.04 1.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.98 3kuw s PRO 81 Cb -0.13 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 3kuw s PRO 81 CO -0.06 -0.55 0.78 -2.30 0.04 0.00 0.00 177.00 174.91 3kuw n PRO 82 N -1.72 0.92 0.00 0.56 -0.02 -1.26 -2.91 135.00 130.57 3kuw n PRO 82 Ca 0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3kuw n PRO 82 Cb 0.53 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.48 2.63 3.82 -1.23 0.00 0.27 -4.98 105.19 107.18 3kuw n GLY 83 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 3.50 -0.34 0.99 1.02 -1.14 -4.76 118.68 117.95 3kuw s LEU 84 Ca 0.00 1.69 -0.17 0.00 0.02 0.00 0.00 54.13 55.67 3kuw s LEU 84 Cb 0.00 -4.52 -0.01 0.00 0.02 0.00 0.00 46.19 41.68 3kuw s LEU 84 CO 0.00 -0.96 0.45 -0.89 0.02 0.00 0.00 176.35 174.97 3kuw s THR 85 N -2.60 5.09 -0.24 5.49 2.01 -1.26 -0.51 115.64 123.62 3kuw s THR 85 Ca 0.61 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.69 3kuw s THR 85 Cb -0.13 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3kuw s THR 85 CO 0.37 -0.13 0.63 -0.69 -0.69 0.00 0.00 174.62 174.12 3kuw s VAL 86 N 2.23 4.99 -0.25 3.82 1.01 0.39 -3.59 120.40 129.00 3kuw s VAL 86 Ca 0.16 1.16 -0.07 0.00 0.00 0.00 0.00 61.98 63.22 3kuw s VAL 86 Cb -0.16 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3kuw s VAL 86 CO 0.12 0.05 0.07 -0.89 0.00 0.00 0.00 175.10 174.45 3kuw s THR 87 N 2.36 4.30 -0.13 3.92 2.01 0.17 -0.92 115.64 127.36 3kuw s THR 87 Ca 0.27 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 3kuw s THR 87 Cb -0.16 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 3kuw s THR 87 CO 0.09 0.33 0.36 -0.69 -0.69 0.00 0.00 174.62 174.02 3kuw s VAL 88 N 1.61 5.25 -0.20 3.82 1.01 -0.34 -2.03 120.40 129.52 3kuw s VAL 88 Ca 0.06 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 3kuw s VAL 88 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3kuw s VAL 88 CO 0.04 0.38 0.02 -0.89 0.00 0.00 0.00 175.10 174.65 3kuw s THR 89 N 0.40 4.21 -0.10 3.92 2.01 -0.19 -1.15 115.64 124.73 3kuw s THR 89 Ca 0.20 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.01 3kuw s THR 89 Cb -0.14 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 3kuw s THR 89 CO 0.07 0.43 -0.22 0.00 -0.69 0.00 0.00 174.62 174.21 3kuw s ALA 90 N 0.86 2.27 -0.13 7.40 0.00 0.28 -2.32 121.76 130.13 3kuw s ALA 90 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3kuw s ALA 90 Cb -0.14 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.11 3kuw s ALA 90 CO 0.02 0.31 -0.21 -2.00 0.00 0.00 0.00 175.76 173.88 3kuw s GLU 91 N 0.24 2.87 0.07 0.00 2.12 0.84 -1.20 118.70 123.64 3kuw s GLU 91 Ca -0.14 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.08 3kuw s GLU 91 Cb -0.17 -2.30 -0.06 0.00 0.26 0.00 0.00 34.13 31.86 3kuw s GLU 91 CO 0.07 0.01 1.18 -1.17 -0.54 0.00 0.00 175.26 174.81 3kuw s LEU 92 N 0.75 4.38 -0.22 2.70 2.96 -0.93 -1.09 118.68 127.24 3kuw s LEU 92 Ca -0.09 2.00 -0.01 0.00 -0.22 0.00 0.00 54.13 55.81 3kuw s LEU 92 Cb -0.16 -3.58 -0.20 0.00 0.50 0.00 0.00 46.19 42.75 3kuw s LEU 92 CO 0.00 -0.44 -0.04 0.54 -1.32 0.00 0.00 176.35 175.10 3kuw n ARG 93 N 3.78 0.68 -3.56 1.98 1.74 0.85 -0.34 116.66 121.78 3kuw n ARG 93 Ca 0.08 0.19 -0.08 0.00 -0.77 0.00 0.00 57.85 57.27 3kuw n ARG 93 Cb 0.47 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3kuw n ARG 93 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kuw s SER 94 N -6.70 -0.29 -0.07 0.55 1.04 -1.12 -4.83 113.70 102.27 3kuw s SER 94 Ca -0.31 0.15 -0.00 0.00 0.48 0.00 0.00 55.95 56.26 3kuw s SER 94 Cb 0.08 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.50 3kuw s SER 94 CO 0.65 -0.40 -0.05 -0.69 0.98 0.00 0.00 173.24 173.74 3kuw s VAL 95 N -2.11 0.69 -0.25 5.02 1.01 -1.26 -1.40 120.40 122.11 3kuw s VAL 95 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 3kuw s VAL 95 Cb -0.01 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.72 3kuw s VAL 95 CO -0.04 0.29 0.14 -1.61 0.00 0.00 0.00 175.10 173.88 3kuw s GLU 96 N 1.45 0.16 7.01 2.72 2.02 0.17 -5.02 118.70 127.22 3kuw s GLU 96 Ca -0.02 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.68 3kuw s GLU 96 Cb -0.13 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.78 3kuw s GLU 96 CO -0.04 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.77 3kuw n GLY 97 N 5.27 4.01 0.04 -1.39 0.00 -1.26 -1.85 105.19 110.00 3kuw n GLY 97 Ca -0.06 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 14.00 0.09 -3.43 1.61 1.85 -1.26 -4.83 116.66 124.69 3kuw n ARG 98 Ca 0.00 0.07 -0.37 0.00 -1.00 0.00 0.00 57.85 56.55 3kuw n ARG 98 Cb 0.00 -1.61 -0.07 0.00 -1.05 0.00 0.00 32.46 29.73 3kuw n ARG 98 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3kuw s ARG 99 N -3.04 4.24 -0.09 2.89 3.52 -0.77 -1.27 118.95 124.44 3kuw s ARG 99 Ca 0.13 0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.97 3kuw s ARG 99 Cb 0.17 -3.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 3kuw s ARG 99 CO 0.56 0.11 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.45 3kuw s LEU 100 N 0.83 2.32 0.01 -0.88 1.02 -0.83 -0.65 118.68 120.50 3kuw s LEU 100 Ca 0.19 -0.44 0.08 0.00 0.02 0.00 0.00 54.13 53.98 3kuw s LEU 100 Cb -0.14 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 3kuw s LEU 100 CO 0.07 0.21 -0.23 -0.44 0.02 0.00 0.00 176.35 175.98 3kuw s SER 101 N 0.07 3.40 -0.00 2.29 0.01 -0.49 -0.73 113.70 118.24 3kuw s SER 101 Ca -0.09 -0.47 0.03 0.00 1.31 0.00 0.00 55.95 56.73 3kuw s SER 101 Cb -0.15 -0.45 -0.01 0.00 0.21 0.00 0.00 66.02 65.62 3kuw s SER 101 CO 0.06 0.29 -0.09 0.26 0.41 0.00 0.00 173.24 174.16 3kuw s TRP 102 N -0.77 0.78 -0.19 2.43 0.52 0.44 -0.11 118.94 122.04 3kuw s TRP 102 Ca 0.12 -0.16 -0.11 0.00 0.02 0.00 0.00 56.10 55.97 3kuw s TRP 102 Cb -0.10 -0.50 -0.05 0.00 -1.15 0.00 0.00 33.47 31.67 3kuw s TRP 102 CO 0.02 -0.01 0.18 0.50 0.02 0.00 0.00 176.95 177.65 3kuw s ARG 103 N -0.26 4.21 0.17 4.98 3.52 -0.25 -1.38 118.95 129.94 3kuw s ARG 103 Ca 0.03 -0.13 0.06 0.00 -0.13 0.00 0.00 55.73 55.55 3kuw s ARG 103 Cb -0.04 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 3kuw s ARG 103 CO -0.00 0.28 -0.11 0.14 -0.81 0.00 0.00 175.30 174.80 3kuw s VAL 104 N 0.39 1.39 -0.12 7.11 -7.23 -0.58 -0.11 120.40 121.24 3kuw s VAL 104 Ca 0.10 -2.12 -0.28 0.00 -1.81 0.00 0.00 61.98 57.87 3kuw s VAL 104 Cb -0.12 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 34.94 3kuw s VAL 104 CO -0.00 -0.67 0.68 -0.55 -0.31 0.00 0.00 175.10 174.25 3kuw s SER 105 N -3.23 -0.67 0.01 4.85 0.15 -0.98 -0.58 113.70 113.24 3kuw s SER 105 Ca 0.20 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.78 3kuw s SER 105 Cb 0.01 0.83 -0.01 0.00 -1.71 0.00 0.00 66.02 65.15 3kuw s SER 105 CO 0.03 -0.48 -0.02 0.00 1.20 0.00 0.00 173.24 173.97 3kuw s ALA 106 N -0.68 0.13 -0.01 5.45 0.00 0.09 -1.02 121.76 125.72 3kuw s ALA 106 Ca -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 3kuw s ALA 106 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3kuw s ALA 106 CO 0.07 -0.05 0.04 -1.58 0.00 0.00 0.00 175.76 174.25 3kuw s HIS 107 N -0.63 0.00 -0.47 0.00 2.46 -0.86 -0.44 115.29 115.36 3kuw s HIS 107 Ca -0.06 0.01 0.15 0.00 0.47 0.00 0.00 55.06 55.63 3kuw s HIS 107 Cb -0.04 -0.02 0.78 0.00 -0.13 0.00 0.00 32.58 33.17 3kuw s HIS 107 CO -0.00 -0.07 1.70 -0.40 -2.47 0.00 0.00 174.74 173.50 3kuw n ASP 108 N 2.70 5.39 0.00 9.88 5.68 -0.39 -0.65 116.55 139.16 3kuw n ASP 108 Ca -0.15 -2.81 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 3kuw n ASP 108 Cb 0.59 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 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 0.69 2.86 0.74 6.12 0.00 -1.24 -3.99 105.19 110.37 3kuw n GLY 109 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 0.89 -4.32 1.61 0.31 -1.26 -5.08 118.33 108.48 3kuw n VAL 110 Ca 0.00 0.10 -0.24 0.00 -0.01 0.00 0.00 64.34 64.19 3kuw n VAL 110 Cb 0.00 -1.72 -0.12 0.00 -0.91 0.00 0.00 33.84 31.09 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 -5.88 2.73 0.27 4.52 1.01 -1.26 -5.12 116.67 112.94 3kuw s ASP 111 Ca -0.11 -0.75 -0.30 0.00 0.71 0.00 0.00 52.55 52.10 3kuw s ASP 111 Cb 0.03 -0.16 -0.10 0.00 1.01 0.00 0.00 42.92 43.70 3kuw s ASP 111 CO 0.14 0.05 1.47 -0.70 0.21 0.00 0.00 175.17 176.34 3kuw s GLU 112 N -2.22 4.23 -0.00 8.23 2.56 -1.26 -1.26 118.70 128.98 3kuw s GLU 112 Ca 0.11 2.37 0.05 0.00 0.00 0.00 0.00 54.97 57.50 3kuw s GLU 112 Cb -0.09 -3.08 -0.06 0.00 2.00 0.00 0.00 34.13 32.90 3kuw s GLU 112 CO 0.05 -0.46 0.20 0.44 -0.56 0.00 0.00 175.26 174.94 3kuw n ILE 113 N 2.09 0.00 0.00 -3.70 -5.35 0.42 -4.32 119.36 108.50 3kuw n ILE 113 Ca 0.06 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 3kuw n ILE 113 Cb 0.40 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 1.35 2.24 3.44 3.28 0.00 -1.19 -0.57 105.19 113.74 3kuw n GLY 114 Ca 0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.53 0.00 1.61 1.04 -1.24 -0.73 113.70 113.85 3kuw s SER 115 Ca 0.00 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.46 3kuw s SER 115 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3kuw s SER 115 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3kuw n GLY 116 N -0.29 -0.60 3.21 7.32 0.00 0.25 -2.10 105.19 112.99 3kuw n GLY 116 Ca -0.15 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.84 1.23 0.01 2.61 -4.23 0.04 -1.53 115.64 110.92 3kuw s THR 117 Ca 0.00 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 3kuw s THR 117 Cb 0.00 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 3kuw s THR 117 CO 0.00 -0.36 -0.02 -2.28 -0.54 0.00 0.00 174.62 171.42 3kuw s HIS 118 N -1.85 0.19 0.03 3.99 5.04 -0.48 -1.22 115.29 120.99 3kuw s HIS 118 Ca 0.05 -0.15 0.07 0.00 -1.54 0.00 0.00 55.06 53.49 3kuw s HIS 118 Cb -0.07 -0.13 -0.02 0.00 0.04 0.00 0.00 32.58 32.41 3kuw s HIS 118 CO 0.02 -0.04 -0.21 -1.21 -2.34 0.00 0.00 174.74 170.96 3kuw s GLU 119 N -0.41 1.46 0.12 2.88 8.01 -0.76 -0.42 118.70 129.57 3kuw s GLU 119 Ca -0.03 -0.89 0.02 0.00 0.01 0.00 0.00 54.97 54.08 3kuw s GLU 119 Cb -0.03 -1.54 -0.04 0.00 -4.31 0.00 0.00 34.13 28.21 3kuw s GLU 119 CO -0.00 0.40 -0.06 1.03 0.01 0.00 0.00 175.26 176.64 3kuw s ARG 120 N -1.01 0.92 -0.04 1.61 0.52 0.09 -0.09 118.95 120.96 3kuw s ARG 120 Ca 0.08 -1.39 0.02 0.00 -0.52 0.00 0.00 55.73 53.91 3kuw s ARG 120 Cb -0.09 -0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.11 3kuw s ARG 120 CO 0.01 -0.02 -0.09 0.00 0.02 0.00 0.00 175.30 175.22 3kuw s ALA 121 N -3.58 0.93 0.22 2.13 0.00 -0.45 -1.96 121.76 119.04 3kuw s ALA 121 Ca 0.15 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 3kuw s ALA 121 Cb 0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 3kuw s ALA 121 CO -0.02 0.09 1.40 0.08 0.00 0.00 0.00 175.76 177.31 3kuw s VAL 122 N 0.56 2.88 0.12 0.00 1.01 -0.39 -0.68 120.40 123.89 3kuw s VAL 122 Ca -0.10 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.65 3kuw s VAL 122 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3kuw s VAL 122 CO 0.01 0.10 -0.12 0.27 0.00 0.00 0.00 175.10 175.37 3kuw s ILE 123 N 0.19 1.17 -0.35 2.22 -4.36 -0.38 -4.93 121.20 114.77 3kuw s ILE 123 Ca 0.60 -1.75 -0.23 0.00 -0.26 0.00 0.00 60.65 59.00 3kuw s ILE 123 Cb -0.40 -1.53 0.01 0.00 1.25 0.00 0.00 42.46 41.79 3kuw s ILE 123 CO 0.40 -0.52 0.79 -2.28 0.24 0.00 0.00 174.94 173.57 3kuw s HIS 124 N -2.44 3.13 0.11 1.37 5.65 -1.26 -1.32 115.29 120.52 3kuw s HIS 124 Ca 0.09 0.61 -0.23 0.00 0.25 0.00 0.00 55.06 55.78 3kuw s HIS 124 Cb -0.03 -3.38 -0.09 0.00 -1.18 0.00 0.00 32.58 27.90 3kuw s HIS 124 CO 0.02 -0.71 1.70 -0.07 -0.65 0.00 0.00 174.74 175.03 3kuw h LEU 125 N 9.70 -0.22 -0.43 8.88 3.38 -1.63 -0.62 115.31 134.38 3kuw h LEU 125 Ca -0.25 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3kuw h LEU 125 Cb 1.09 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 3kuw h LEU 125 CO 0.91 -0.11 0.21 -0.33 0.09 0.00 0.00 178.44 179.21 3kuw h GLU 126 N -0.12 0.41 -0.24 1.13 5.08 -1.95 -0.08 114.58 118.81 3kuw h GLU 126 Ca 0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3kuw h GLU 126 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3kuw h GLU 126 CO -0.09 0.27 0.11 -0.22 -1.00 0.00 0.00 179.01 178.08 3kuw h LYS 127 N 0.42 0.34 -0.29 2.33 3.64 -1.92 -1.38 116.57 119.71 3kuw h LYS 127 Ca 0.19 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3kuw h LYS 127 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3kuw h LYS 127 CO -0.14 0.36 0.10 0.35 -2.27 0.00 0.00 179.45 177.85 3kuw h PHE 128 N 0.25 0.46 -0.63 1.91 3.57 -0.96 -2.30 116.94 119.23 3kuw h PHE 128 Ca 0.08 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3kuw h PHE 128 Cb 0.13 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 3kuw h PHE 128 CO -0.02 0.47 0.25 -0.97 -2.23 0.00 0.00 178.31 175.81 3kuw h ASN 129 N 0.31 0.26 -0.65 0.41 -1.24 -1.00 -0.04 115.58 113.64 3kuw h ASN 129 Ca 0.10 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 3kuw h ASN 129 Cb 0.22 0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 3kuw h ASN 129 CO -0.01 0.15 0.29 0.00 -1.29 0.00 0.00 177.43 176.58 3kuw h ALA 130 N 1.43 0.84 -0.28 1.57 0.00 -1.15 -0.37 119.26 121.29 3kuw h ALA 130 Ca 0.32 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3kuw h ALA 130 Cb 0.40 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kuw h ALA 130 CO -0.31 0.42 -0.41 0.87 0.00 0.00 0.00 179.25 179.82 3kuw h LYS 131 N 0.90 0.78 -0.56 0.00 1.57 -1.07 -2.93 116.57 115.25 3kuw h LYS 131 Ca 0.22 -0.46 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 3kuw h LYS 131 Cb 0.15 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3kuw h LYS 131 CO -0.02 1.09 0.00 0.28 -0.57 0.00 0.00 179.45 180.23 3kuw h VAL 132 N 0.53 1.26 -0.40 0.50 2.07 -0.85 -2.31 116.25 117.05 3kuw h VAL 132 Ca 0.03 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.54 3kuw h VAL 132 Cb 1.01 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3kuw h VAL 132 CO 0.10 0.40 0.34 0.03 0.02 0.00 0.00 177.57 178.45 3kuw h ARG 133 N 0.88 0.00 0.00 1.57 -0.00 -1.01 -1.81 114.38 114.00 3kuw h ARG 133 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.64 3kuw h ARG 133 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.51 3kuw h ARG 133 CO 0.03 0.00 -0.39 1.04 0.00 0.00 0.00 179.97 180.65 3kuw n GLN 134 N -4.12 0.05 0.00 0.04 6.02 -0.87 -2.96 117.38 115.53 3kuw n GLN 134 Ca 0.07 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.20 3kuw n GLN 134 Cb 0.52 -1.53 0.20 0.00 1.02 0.00 0.00 30.24 30.45 3kuw n GLN 134 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3kuw n LYS 135 N -1.61 0.66 -1.81 -1.09 2.85 -0.69 -4.97 118.16 111.50 3kuw n LYS 135 Ca 0.06 -0.46 -0.42 0.00 -1.05 0.00 0.00 58.31 56.44 3kuw n LYS 135 Cb 0.35 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.22 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 -2.65 2.22 -2.00 0.58 2.01 -1.15 -5.15 115.64 109.50 3kuw s THR 136 Ca 0.18 0.16 0.20 0.00 0.31 0.00 0.00 61.69 62.55 3kuw s THR 136 Cb 0.18 -3.10 0.58 0.00 0.01 0.00 0.00 72.50 70.17 3kuw s THR 136 CO 0.61 0.02 1.60 -0.81 -0.69 0.00 0.00 174.62 175.35