#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkk h GLU 5 N 0.00 0.00 0.00 0.11 4.22 -2.07 -3.14 114.58 113.70 1nkk h GLU 5 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1nkk h GLU 5 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nkk h GLU 5 CO 0.00 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 177.87 1nkk n GLN 6 N -2.57 0.21 -0.01 1.92 3.00 -1.26 -2.67 117.38 116.01 1nkk n GLN 6 Ca 0.03 0.42 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 1nkk n GLN 6 Cb 0.49 -1.89 -0.12 0.00 0.00 0.00 0.00 30.24 28.71 1nkk n GLN 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1nkk n GLN 7 N -2.29 0.65 -0.04 -1.09 6.02 -1.18 -3.41 117.38 116.04 1nkk n GLN 7 Ca 0.02 0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 56.99 1nkk n GLN 7 Cb 0.25 -1.65 0.16 0.00 1.02 0.00 0.00 30.24 30.01 1nkk n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1nkk h SER 8 N 0.00 0.63 1.07 1.08 0.87 -1.62 -1.13 113.55 114.44 1nkk h SER 8 Ca -0.19 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.04 1nkk h SER 8 Cb 1.51 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1nkk h SER 8 CO 0.02 0.83 -0.99 0.06 -0.53 0.00 0.00 176.83 176.23 1nkk h GLN 9 N 0.55 0.00 -0.12 2.24 3.07 -1.74 -3.26 115.11 115.86 1nkk h GLN 9 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.70 1nkk h GLN 9 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.21 1nkk h GLN 9 CO 0.05 0.31 -0.46 0.00 0.09 0.00 0.00 178.83 178.82 1nkk h ALA 10 N 1.54 1.00 -0.67 0.06 0.00 -1.51 -2.85 119.26 116.84 1nkk h ALA 10 Ca -0.08 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1nkk h ALA 10 Cb 1.42 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1nkk h ALA 10 CO 0.05 0.63 0.20 1.33 0.00 0.00 0.00 179.25 181.46 1nkk n VAL 11 N -3.99 2.76 -2.03 0.00 0.24 -0.45 -4.77 118.33 110.09 1nkk n VAL 11 Ca -0.02 -1.47 -0.29 0.00 -2.04 0.00 0.00 64.34 60.52 1nkk n VAL 11 Cb 0.52 -0.36 0.04 0.00 -1.47 0.00 0.00 33.84 32.57 1nkk n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nkk s ALA 12 N -2.80 3.03 0.54 2.33 0.00 -1.08 -4.91 121.76 118.87 1nkk s ALA 12 Ca 0.52 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 1nkk s ALA 12 Cb 0.41 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.54 1nkk s ALA 12 CO 0.13 -1.00 0.83 -0.35 0.00 0.00 0.00 175.76 175.37 1nkk n PRO 13 N -2.86 0.87 -4.68 0.00 -0.04 -1.26 -5.00 135.00 122.03 1nkk n PRO 13 Ca 0.06 0.33 -0.26 0.00 -0.04 0.00 0.00 63.50 63.59 1nkk n PRO 13 Cb 0.57 -1.97 -0.17 0.00 -0.04 0.00 0.00 33.50 31.89 1nkk n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nkk s VAL 14 N -1.52 1.27 0.23 0.52 1.01 -0.86 -4.78 120.40 116.27 1nkk s VAL 14 Ca 0.70 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 1nkk s VAL 14 Cb -0.47 -1.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 1nkk s VAL 14 CO 0.52 0.38 0.53 -0.31 0.00 0.00 0.00 175.10 176.22 1nkk s TYR 15 N 0.60 3.44 -0.02 5.22 1.51 0.27 -0.04 117.35 128.34 1nkk s TYR 15 Ca -0.15 0.78 0.01 0.00 -1.01 0.00 0.00 57.07 56.71 1nkk s TYR 15 Cb -0.16 -2.19 0.01 0.00 -0.11 0.00 0.00 41.96 39.51 1nkk s TYR 15 CO 0.04 0.27 -0.03 0.54 -1.11 0.00 0.00 175.55 175.26 1nkk s VAL 16 N -1.86 0.35 0.05 0.71 0.11 -0.51 0.11 120.40 119.37 1nkk s VAL 16 Ca 0.46 -0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1nkk s VAL 16 Cb -0.11 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1nkk s VAL 16 CO 0.24 0.14 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.28 1nkk s GLY 17 N 0.39 0.50 0.00 6.54 0.00 0.86 0.69 107.32 116.29 1nkk s GLY 17 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1nkk s GLY 17 CO -0.00 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.46 1nkk n GLY 18 N 0.33 1.07 3.78 0.20 0.00 -1.05 0.24 105.19 109.75 1nkk n GLY 18 Ca -0.15 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1nkk n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nkk s PHE 19 N -2.00 3.70 -0.41 1.61 0.40 -1.26 -1.47 117.98 118.55 1nkk s PHE 19 Ca 0.00 1.14 0.23 0.00 -0.60 0.00 0.00 56.93 57.70 1nkk s PHE 19 Cb 0.00 -2.51 0.17 0.00 0.51 0.00 0.00 43.02 41.19 1nkk s PHE 19 CO 0.00 0.44 1.21 -0.07 0.70 0.00 0.00 175.22 177.51 1nkk h LEU 20 N 5.33 0.00 -7.00 -0.37 3.38 -0.70 -3.36 115.31 112.59 1nkk h LEU 20 Ca -0.47 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1nkk h LEU 20 Cb 1.20 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.74 1nkk h LEU 20 CO 0.67 0.04 0.36 0.00 0.09 0.00 0.00 178.44 179.60 1nkk s ALA 21 N -3.27 -1.86 -0.17 1.53 0.00 -1.20 -4.67 121.76 112.11 1nkk s ALA 21 Ca 0.03 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1nkk s ALA 21 Cb 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1nkk s ALA 21 CO 0.75 -0.32 -0.16 1.03 0.00 0.00 0.00 175.76 177.06 1nkk s ARG 22 N -0.78 3.17 0.36 0.00 1.81 -1.26 -1.65 118.95 120.60 1nkk s ARG 22 Ca -0.04 -0.76 0.15 0.00 -1.72 0.00 0.00 55.73 53.36 1nkk s ARG 22 Cb -0.01 -2.64 0.66 0.00 -0.45 0.00 0.00 34.95 32.51 1nkk s ARG 22 CO 0.03 -0.05 1.76 1.88 -0.68 0.00 0.00 175.30 178.24 1nkk h TYR 23 N 7.51 0.00 -0.19 -0.53 0.05 -1.82 -2.88 116.97 119.11 1nkk h TYR 23 Ca -0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1nkk h TYR 23 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1nkk h TYR 23 CO 0.50 0.43 0.00 -0.40 -1.05 0.00 0.00 178.16 177.64 1nkk n ASP 24 N -3.83 1.78 -4.18 3.88 5.75 -1.26 -4.74 116.55 113.94 1nkk n ASP 24 Ca -0.01 -2.14 -0.33 0.00 -0.01 0.00 0.00 54.79 52.30 1nkk n ASP 24 Cb 0.48 -0.35 -0.16 0.00 -1.03 0.00 0.00 41.12 40.07 1nkk n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1nkk s GLN 25 N -1.61 3.10 -0.24 0.11 -1.52 -1.09 -5.09 119.66 113.32 1nkk s GLN 25 Ca 0.15 -0.78 -0.25 0.00 -1.95 0.00 0.00 55.36 52.53 1nkk s GLN 25 Cb 0.10 -2.65 -0.01 0.00 -0.22 0.00 0.00 33.01 30.24 1nkk s GLN 25 CO 0.07 -0.15 0.84 -1.12 -0.25 0.00 0.00 175.29 174.68 1nkk s SER 26 N 1.20 6.85 0.25 5.90 0.01 -1.26 -4.89 113.70 121.77 1nkk s SER 26 Ca 0.02 1.06 -0.30 0.00 1.31 0.00 0.00 55.95 58.04 1nkk s SER 26 Cb -0.14 -2.44 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1nkk s SER 26 CO -0.08 -0.51 1.50 -2.84 0.41 0.00 0.00 173.24 171.72 1nkk s PRO 27 N 2.79 4.22 0.00 12.44 0.02 -1.26 -4.86 135.00 148.34 1nkk s PRO 27 Ca 0.35 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1nkk s PRO 27 Cb -0.15 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1nkk s PRO 27 CO 0.08 -0.51 0.68 -0.40 -0.33 0.00 0.00 177.00 176.52 1nkk n ASP 28 N 2.54 0.36 -3.66 2.53 3.85 -1.26 -4.56 116.55 116.35 1nkk n ASP 28 Ca 0.08 -1.72 -0.07 0.00 -0.71 0.00 0.00 54.79 52.38 1nkk n ASP 28 Cb 0.39 -0.18 -0.08 0.00 -1.35 0.00 0.00 41.12 39.91 1nkk n ASP 28 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1nkk s GLU 29 N -1.59 0.53 0.41 0.11 2.02 -1.26 -5.06 118.70 113.86 1nkk s GLU 29 Ca 0.00 1.14 0.17 0.00 0.02 0.00 0.00 54.97 56.30 1nkk s GLU 29 Cb 0.00 0.31 1.07 0.00 0.10 0.00 0.00 34.13 35.61 1nkk s GLU 29 CO 0.00 -0.18 1.85 0.00 0.02 0.00 0.00 175.26 176.95 1nkk h ALA 30 N 7.50 2.18 0.00 5.21 0.00 -1.99 0.78 119.26 132.94 1nkk h ALA 30 Ca -0.26 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1nkk h ALA 30 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1nkk h ALA 30 CO 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1nkk h ARG 31 N 0.42 0.00 -0.01 0.00 3.08 -1.97 -0.83 114.38 115.08 1nkk h ARG 31 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1nkk h ARG 31 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1nkk h ARG 31 CO -0.19 0.00 -0.32 1.28 -1.07 0.00 0.00 179.97 179.67 1nkk n LEU 32 N -2.60 1.41 -4.76 3.04 4.77 0.27 -4.92 117.00 114.20 1nkk n LEU 32 Ca -0.01 -0.45 -0.39 0.00 -0.03 0.00 0.00 56.01 55.13 1nkk n LEU 32 Cb 0.12 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1nkk n LEU 32 CO 0.17 0.26 1.03 -0.76 -1.33 0.00 0.00 177.39 176.76 1nkk s LEU 33 N -2.47 4.07 -0.41 2.23 2.01 -0.32 -4.85 118.68 118.94 1nkk s LEU 33 Ca 0.23 2.84 -0.01 0.00 0.01 0.00 0.00 54.13 57.20 1nkk s LEU 33 Cb 0.19 -4.01 0.21 0.00 0.01 0.00 0.00 46.19 42.59 1nkk s LEU 33 CO 0.53 -1.21 0.96 -0.11 1.01 0.00 0.00 176.35 177.53 1nkk n LEU 34 N -0.33 -2.26 -4.80 1.79 7.94 -1.26 -5.09 117.00 112.99 1nkk n LEU 34 Ca 0.06 -1.79 -0.34 0.00 -1.11 0.00 0.00 56.01 52.84 1nkk n LEU 34 Cb 0.43 0.64 -0.02 0.00 0.53 0.00 0.00 43.42 45.00 1nkk n LEU 34 CO 0.57 1.50 0.72 -2.16 -1.11 0.00 0.00 177.39 176.91 1nkk s PRO 35 N 0.90 3.63 0.51 1.96 0.04 -1.26 -4.82 135.00 135.96 1nkk s PRO 35 Ca 0.26 1.32 0.36 0.00 0.04 0.00 0.00 61.00 62.98 1nkk s PRO 35 Cb 0.09 -2.07 1.51 0.00 0.04 0.00 0.00 34.50 34.06 1nkk s PRO 35 CO -0.09 -0.57 1.73 -0.09 0.04 0.00 0.00 177.00 178.02 1nkk h ARG 36 N 1.18 0.07 0.08 4.56 2.43 -1.98 -1.01 114.38 119.72 1nkk h ARG 36 Ca -0.49 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1nkk h ARG 36 Cb 1.22 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1nkk h ARG 36 CO 0.58 0.05 -0.04 0.38 -1.51 0.00 0.00 179.97 179.43 1nkk h ASP 37 N 0.07 -0.10 -0.26 -3.80 3.04 -1.99 0.57 116.42 113.96 1nkk h ASP 37 Ca 0.68 -0.07 -0.01 0.00 -3.24 0.00 0.00 57.03 54.39 1nkk h ASP 37 Cb 2.50 0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 40.81 1nkk h ASP 37 CO -0.11 0.01 0.12 0.58 -2.04 0.00 0.00 179.24 177.80 1nkk h VAL 38 N -0.20 1.15 -0.23 4.15 2.07 -1.58 -2.13 116.25 119.48 1nkk h VAL 38 Ca -0.01 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1nkk h VAL 38 Cb 0.17 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1nkk h VAL 38 CO 0.02 0.15 -0.10 0.58 0.02 0.00 0.00 177.57 178.24 1nkk h VAL 39 N 0.28 0.68 -0.10 2.57 2.07 -1.28 0.11 116.25 120.58 1nkk h VAL 39 Ca 0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1nkk h VAL 39 Cb 0.13 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1nkk h VAL 39 CO -0.01 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 177.03 1nkk h GLU 40 N -0.06 0.17 0.03 1.57 5.08 -0.73 0.60 114.58 121.23 1nkk h GLU 40 Ca 0.12 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1nkk h GLU 40 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1nkk h GLU 40 CO -0.27 0.39 -0.01 0.45 -1.00 0.00 0.00 179.01 178.56 1nkk h HIS 41 N 0.16 -0.04 -0.04 4.33 3.86 -0.88 -2.27 115.15 120.27 1nkk h HIS 41 Ca 0.03 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1nkk h HIS 41 Cb 0.48 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.91 1nkk h HIS 41 CO 0.01 0.54 -0.27 -1.49 0.86 0.00 0.00 177.93 177.58 1nkk h TRP 42 N -0.65 -0.72 -0.85 2.45 6.55 -0.47 0.72 115.95 123.00 1nkk h TRP 42 Ca -0.00 0.03 0.22 0.00 0.95 0.00 0.00 58.89 60.08 1nkk h TRP 42 Cb 0.59 0.32 -0.05 0.00 -0.86 0.00 0.00 29.16 29.17 1nkk h TRP 42 CO 0.13 -0.35 0.58 -0.07 -1.05 0.00 0.00 178.44 177.68 1nkk h LEU 43 N -0.39 0.21 0.13 -4.49 3.38 0.14 -0.40 115.31 113.89 1nkk h LEU 43 Ca 0.07 0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.82 1nkk h LEU 43 Cb 0.49 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 41.25 1nkk h LEU 43 CO -0.26 0.08 -1.05 -0.74 0.09 0.00 0.00 178.44 176.56 1nkk h HIS 44 N 0.21 0.82 -0.53 1.13 2.76 -0.14 -3.33 115.15 116.07 1nkk h HIS 44 Ca 0.42 -0.54 0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1nkk h HIS 44 Cb 1.33 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.21 1nkk h HIS 44 CO -0.00 1.39 0.35 0.00 -1.30 0.00 0.00 177.93 178.37 1nkk h ALA 45 N 0.21 1.68 -4.03 5.26 0.00 0.20 -3.51 119.26 119.07 1nkk h ALA 45 Ca -0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1nkk h ALA 45 Cb 1.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1nkk h ALA 45 CO 0.20 0.28 -0.09 0.00 0.00 0.00 0.00 179.25 179.64 1nkk n GLN 46 N -4.46 1.42 0.00 0.00 10.64 -0.86 -4.59 117.38 119.53 1nkk n GLN 46 Ca 0.05 -0.70 0.00 0.00 -1.83 0.00 0.00 57.00 54.52 1nkk n GLN 46 Cb 0.09 0.26 0.00 0.00 -0.86 0.00 0.00 30.24 29.73 1nkk n GLN 46 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1nkk n VAL 55 N -0.22 0.00 -2.86 -0.39 0.24 -1.26 -5.08 118.33 108.76 1nkk n VAL 55 Ca -0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.86 1nkk n VAL 55 Cb 0.12 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 1nkk n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nkk s ALA 56 N -2.24 3.29 0.33 2.33 0.00 -1.26 -5.01 121.76 119.19 1nkk s ALA 56 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1nkk s ALA 56 Cb 0.00 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 19.86 1nkk s ALA 56 CO 0.00 -0.04 1.51 1.28 0.00 0.00 0.00 175.76 178.51 1nkk n LEU 57 N 3.14 4.38 -4.78 0.00 4.32 -1.26 -4.74 117.00 118.06 1nkk n LEU 57 Ca 0.01 1.18 -0.32 0.00 -0.02 0.00 0.00 56.01 56.86 1nkk n LEU 57 Cb 0.50 -1.58 0.06 0.00 -1.62 0.00 0.00 43.42 40.78 1nkk n LEU 57 CO 0.49 0.06 0.72 -2.16 -1.22 0.00 0.00 177.39 175.28 1nkk s PRO 58 N -1.25 2.67 -0.22 3.23 0.04 -1.26 0.42 135.00 138.61 1nkk s PRO 58 Ca 0.59 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1nkk s PRO 58 Cb -0.50 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1nkk s PRO 58 CO 0.56 -1.34 -0.10 -0.51 0.04 0.00 0.00 177.00 175.65 1nkk s LEU 59 N -5.25 2.83 0.45 -3.56 1.43 -0.20 -2.97 118.68 111.41 1nkk s LEU 59 Ca 0.64 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1nkk s LEU 59 Cb -0.18 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1nkk s LEU 59 CO 0.47 -0.07 0.02 0.54 0.23 0.00 0.00 176.35 177.54 1nkk s ASN 60 N 1.33 3.79 -0.25 2.29 2.20 -1.11 0.14 114.94 123.32 1nkk s ASN 60 Ca 0.02 -1.51 -0.13 0.00 -0.94 0.00 0.00 52.86 50.30 1nkk s ASN 60 Cb -0.15 0.07 -0.04 0.00 -2.00 0.00 0.00 41.25 39.13 1nkk s ASN 60 CO -0.07 -0.66 0.28 -0.63 -2.94 0.00 0.00 177.10 173.08 1nkk s ILE 61 N -2.86 5.26 -1.79 0.54 -1.09 0.11 -1.16 121.20 120.20 1nkk s ILE 61 Ca 0.22 0.40 -0.21 0.00 -2.23 0.00 0.00 60.65 58.83 1nkk s ILE 61 Cb 0.06 -3.61 0.19 0.00 -1.58 0.00 0.00 42.46 37.52 1nkk s ILE 61 CO 0.11 0.24 0.70 -3.20 -1.23 0.00 0.00 174.94 171.56 1nkk n ASN 62 N 4.88 -2.64 -0.17 3.58 5.15 0.13 -0.54 115.26 125.65 1nkk n ASN 62 Ca -0.11 -1.12 -0.02 0.00 -0.60 0.00 0.00 54.58 52.73 1nkk n ASN 62 Cb 0.51 -2.24 -0.01 0.00 -0.53 0.00 0.00 39.78 37.51 1nkk n ASN 62 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1nkk n HIS 63 N -4.24 0.00 -2.64 1.20 8.25 -1.26 -4.97 115.22 111.56 1nkk n HIS 63 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 1nkk n HIS 63 Cb 0.47 -1.30 -0.02 0.00 1.12 0.00 0.00 29.99 30.26 1nkk n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1nkk s ASP 64 N -2.17 7.08 0.00 0.41 -1.08 0.30 -4.90 116.67 116.31 1nkk s ASP 64 Ca 0.00 1.39 0.17 0.00 -0.52 0.00 0.00 52.55 53.59 1nkk s ASP 64 Cb 0.00 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.92 1nkk s ASP 64 CO 0.00 -0.69 1.45 -0.90 0.52 0.00 0.00 175.17 175.55 1nkk n ASP 65 N 6.38 0.00 -0.00 -0.34 5.68 -1.26 -1.71 116.55 125.30 1nkk n ASP 65 Ca 0.12 -0.42 0.08 0.00 -0.50 0.00 0.00 54.79 54.08 1nkk n ASP 65 Cb 0.46 -0.06 -0.12 0.00 -1.14 0.00 0.00 41.12 40.26 1nkk n ASP 65 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1nkk n THR 66 N -1.06 0.00 -2.13 2.12 -2.24 -1.26 -4.54 114.28 105.17 1nkk n THR 66 Ca 0.12 -0.23 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 1nkk n THR 66 Cb 0.08 0.60 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1nkk n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nkk n ALA 67 N -1.72 6.22 -2.70 6.98 0.00 -0.69 -0.45 120.51 128.16 1nkk n ALA 67 Ca 0.00 -4.24 -0.42 0.00 0.00 0.00 0.00 53.44 48.79 1nkk n ALA 67 Cb 0.35 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 1nkk n ALA 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nkk s VAL 68 N -5.01 4.88 -0.14 0.00 1.01 -1.22 0.06 120.40 119.99 1nkk s VAL 68 Ca 0.49 1.85 0.04 0.00 0.00 0.00 0.00 61.98 64.36 1nkk s VAL 68 Cb 0.39 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1nkk s VAL 68 CO -0.34 0.10 0.14 1.33 0.00 0.00 0.00 175.10 176.33 1nkk n VAL 69 N 4.27 0.00 -1.42 2.92 0.24 0.36 -2.56 118.33 122.15 1nkk n VAL 69 Ca 0.05 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1nkk n VAL 69 Cb 0.50 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 1nkk n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nkk n GLY 70 N 1.31 1.40 3.19 7.63 0.00 -1.13 -0.24 105.19 117.34 1nkk n GLY 70 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1nkk n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nkk s HIS 71 N -0.60 0.27 -0.43 1.61 -3.43 -0.95 -1.04 115.29 110.73 1nkk s HIS 71 Ca 0.00 -0.72 -0.26 0.00 -0.80 0.00 0.00 55.06 53.28 1nkk s HIS 71 Cb 0.00 -0.14 0.02 0.00 -1.43 0.00 0.00 32.58 31.03 1nkk s HIS 71 CO 0.00 -0.52 0.93 0.08 -2.00 0.00 0.00 174.74 173.23 1nkk s VAL 72 N -3.89 4.50 -0.10 -5.38 1.01 0.17 -1.45 120.40 115.26 1nkk s VAL 72 Ca 0.07 0.91 0.15 0.00 0.00 0.00 0.00 61.98 63.11 1nkk s VAL 72 Cb 0.06 -4.41 0.06 0.00 0.00 0.00 0.00 36.38 32.08 1nkk s VAL 72 CO -0.10 -0.74 1.47 0.00 0.00 0.00 0.00 175.10 175.73 1nkk h ALA 73 N 8.89 0.69 -1.87 5.51 0.00 -1.14 -3.38 119.26 127.96 1nkk h ALA 73 Ca -0.24 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1nkk h ALA 73 Cb 1.08 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.56 1nkk h ALA 73 CO 1.02 0.65 0.24 0.00 0.00 0.00 0.00 179.25 181.16 1nkk s ALA 74 N -3.02 -1.84 -0.02 0.00 0.00 -0.64 -2.97 121.76 113.27 1nkk s ALA 74 Ca 0.03 1.92 0.03 0.00 0.00 0.00 0.00 51.96 53.95 1nkk s ALA 74 Cb 0.08 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 1nkk s ALA 74 CO 0.74 -0.31 -0.11 -1.64 0.00 0.00 0.00 175.76 174.44 1nkk s MET 75 N 0.18 1.03 -0.18 0.00 1.00 -1.26 -0.30 119.30 119.77 1nkk s MET 75 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 55.69 55.23 1nkk s MET 75 Cb -0.05 -0.97 0.07 0.00 0.00 0.00 0.00 34.83 33.89 1nkk s MET 75 CO -0.00 0.19 0.40 -1.14 0.00 0.00 0.00 175.02 174.47 1nkk s GLN 76 N -0.05 0.34 -0.07 2.03 2.00 -0.13 -4.94 119.66 118.85 1nkk s GLN 76 Ca 0.01 0.90 -0.28 0.00 -2.00 0.00 0.00 55.36 53.99 1nkk s GLN 76 Cb -0.07 0.15 -0.02 0.00 0.80 0.00 0.00 33.01 33.86 1nkk s GLN 76 CO 0.00 -0.21 0.91 0.45 -0.50 0.00 0.00 175.29 175.94 1nkk s SER 77 N 2.07 7.20 0.41 6.67 0.15 -1.26 -0.99 113.70 127.95 1nkk s SER 77 Ca -0.05 1.46 0.04 0.00 0.70 0.00 0.00 55.95 58.10 1nkk s SER 77 Cb -0.10 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 1nkk s SER 77 CO -0.12 -0.31 0.13 0.68 1.20 0.00 0.00 173.24 174.82 1nkk s VAL 78 N 1.42 0.58 0.28 4.45 -7.23 0.14 -4.96 120.40 115.08 1nkk s VAL 78 Ca 0.46 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.56 1nkk s VAL 78 Cb -0.19 -2.33 0.44 0.00 0.56 0.00 0.00 36.38 34.86 1nkk s VAL 78 CO 0.21 0.00 1.56 -0.09 -0.31 0.00 0.00 175.10 176.47 1nkk h ARG 79 N 1.77 0.00 -0.59 4.82 2.43 -1.95 -2.06 114.38 118.80 1nkk h ARG 79 Ca -0.35 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1nkk h ARG 79 Cb 1.27 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1nkk h ARG 79 CO 0.56 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.77 1nkk n ASP 80 N -5.60 3.59 0.00 -3.80 9.92 -1.26 -4.93 116.55 114.46 1nkk n ASP 80 Ca 0.16 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.43 1nkk n ASP 80 Cb 0.52 -0.39 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1nkk n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nkk n GLY 81 N 1.28 -0.98 3.49 0.44 0.00 -0.78 -2.61 105.19 106.03 1nkk n GLY 81 Ca 0.20 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1nkk n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nkk s LEU 82 N 0.00 4.83 -0.12 0.99 2.96 -0.66 0.26 118.68 126.94 1nkk s LEU 82 Ca 0.00 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 1nkk s LEU 82 Cb 0.00 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1nkk s LEU 82 CO 0.00 -0.47 0.03 0.12 -1.32 0.00 0.00 176.35 174.70 1nkk s PHE 83 N 1.96 3.22 0.21 5.38 2.19 -0.16 0.06 117.98 130.84 1nkk s PHE 83 Ca 0.10 0.14 0.08 0.00 0.33 0.00 0.00 56.93 57.57 1nkk s PHE 83 Cb -0.18 -1.89 -0.05 0.00 -1.31 0.00 0.00 43.02 39.59 1nkk s PHE 83 CO 0.12 0.37 -0.13 0.00 1.83 0.00 0.00 175.22 177.40 1nkk s LEU 85 N -3.33 0.99 0.46 0.00 1.98 0.58 -2.53 118.68 116.83 1nkk s LEU 85 Ca 0.23 -0.16 0.04 0.00 -2.89 0.00 0.00 54.13 51.36 1nkk s LEU 85 Cb -0.00 -0.57 -0.04 0.00 0.66 0.00 0.00 46.19 46.24 1nkk s LEU 85 CO 0.08 -0.13 0.04 -0.83 -1.89 0.00 0.00 176.35 173.62 1nkk s GLY 86 N 1.57 2.71 -0.05 7.98 0.00 0.22 -0.55 107.32 119.19 1nkk s GLY 86 Ca -0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 44.72 43.29 1nkk s GLY 86 CO -0.04 -2.12 0.04 0.00 0.00 0.00 0.00 173.10 170.98 1nkk s VAL 88 N 1.99 4.75 0.00 0.00 1.01 0.94 -2.23 120.40 126.86 1nkk s VAL 88 Ca 0.03 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1nkk s VAL 88 Cb -0.12 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1nkk s VAL 88 CO -0.04 -0.34 0.25 0.35 0.00 0.00 0.00 175.10 175.33 1nkk n THR 89 N 5.66 0.00 -2.01 3.92 -2.24 0.67 -2.04 114.28 118.25 1nkk n THR 89 Ca 0.04 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 1nkk n THR 89 Cb 0.48 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1nkk n THR 89 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nkk s SER 90 N -0.31 6.37 0.17 3.42 0.15 0.45 -4.89 113.70 119.07 1nkk s SER 90 Ca 0.00 1.87 -0.14 0.00 0.70 0.00 0.00 55.95 58.37 1nkk s SER 90 Cb 0.00 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 1nkk s SER 90 CO 0.00 -1.23 1.82 -0.65 1.20 0.00 0.00 173.24 174.38 1nkk h PRO 91 N 10.84 0.69 0.32 5.44 0.11 -1.91 0.23 132.00 147.71 1nkk h PRO 91 Ca -0.37 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1nkk h PRO 91 Cb 1.17 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1nkk h PRO 91 CO 0.98 0.47 -0.27 -0.09 -0.21 0.00 0.00 178.00 178.88 1nkk h ARG 92 N 0.70 -0.58 0.64 1.05 2.43 -1.96 0.13 114.38 116.79 1nkk h ARG 92 Ca 0.19 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1nkk h ARG 92 Cb -0.06 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1nkk h ARG 92 CO -0.04 -0.39 -0.43 0.35 -1.51 0.00 0.00 179.97 177.96 1nkk h PHE 93 N -0.60 -1.14 -0.94 2.20 3.57 -1.87 -0.07 116.94 118.08 1nkk h PHE 93 Ca -0.02 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.71 1nkk h PHE 93 Cb 0.54 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1nkk h PHE 93 CO -0.15 -0.63 0.64 -0.07 -2.23 0.00 0.00 178.31 175.86 1nkk h LEU 94 N -1.02 0.28 -0.06 0.59 3.38 -0.49 0.22 115.31 118.21 1nkk h LEU 94 Ca -0.08 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1nkk h LEU 94 Cb 0.83 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1nkk h LEU 94 CO 0.06 0.09 -0.03 -0.08 0.09 0.00 0.00 178.44 178.57 1nkk h GLU 95 N 0.27 0.12 -0.39 1.13 4.57 0.02 -1.63 114.58 118.67 1nkk h GLU 95 Ca 0.49 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.68 1nkk h GLU 95 Cb 1.45 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.97 1nkk h GLU 95 CO -0.14 0.51 0.02 0.82 -1.18 0.00 0.00 179.01 179.04 1nkk h ILE 96 N -0.27 0.72 -0.62 2.32 2.04 0.12 -0.56 117.51 121.27 1nkk h ILE 96 Ca 0.01 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1nkk h ILE 96 Cb 0.48 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1nkk h ILE 96 CO 0.01 0.02 0.41 0.58 0.00 0.00 0.00 178.15 179.17 1nkk h VAL 97 N 0.13 1.07 0.54 1.67 2.07 -1.04 -0.20 116.25 120.48 1nkk h VAL 97 Ca 0.19 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1nkk h VAL 97 Cb 0.27 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1nkk h VAL 97 CO -0.31 0.13 -0.26 -0.09 0.02 0.00 0.00 177.57 177.06 1nkk h ARG 98 N 0.71 -0.70 -0.68 1.57 2.43 -0.13 0.15 114.38 117.72 1nkk h ARG 98 Ca 0.25 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.59 1nkk h ARG 98 Cb 0.11 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.73 1nkk h ARG 98 CO -0.07 -0.40 0.23 0.00 -1.51 0.00 0.00 179.97 178.23 1nkk h ARG 99 N -0.96 0.37 -0.00 0.20 3.08 -0.75 -1.86 114.38 114.46 1nkk h ARG 99 Ca -0.07 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 1nkk h ARG 99 Cb 0.63 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1nkk h ARG 99 CO 0.12 0.25 -0.54 0.00 -1.07 0.00 0.00 179.97 178.73 1nkk h ALA 100 N 1.50 1.10 -0.28 0.04 0.00 -0.97 -3.14 119.26 117.50 1nkk h ALA 100 Ca 0.36 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1nkk h ALA 100 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1nkk h ALA 100 CO -0.38 0.68 -0.13 0.66 0.00 0.00 0.00 179.25 180.08 1nkk h SER 101 N 0.01 0.46 -0.02 0.00 4.64 -0.10 -1.64 113.55 116.89 1nkk h SER 101 Ca -0.01 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1nkk h SER 101 Cb 0.96 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1nkk h SER 101 CO 0.07 0.62 0.04 -0.33 -0.87 0.00 0.00 176.83 176.36 1nkk h GLU 102 N 0.44 0.00 -0.54 4.77 4.39 -1.47 -2.09 114.58 120.08 1nkk h GLU 102 Ca 0.08 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.51 1nkk h GLU 102 Cb 0.49 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.98 1nkk h GLU 102 CO 0.03 0.00 0.13 1.63 -1.16 0.00 0.00 179.01 179.64 1nkk n LYS 103 N -3.44 2.00 -4.09 2.33 4.76 -0.62 -4.93 118.16 114.17 1nkk n LYS 103 Ca -0.02 -3.14 -0.33 0.00 -2.87 0.00 0.00 58.31 51.94 1nkk n LYS 103 Cb 0.12 -1.93 -0.16 0.00 -1.84 0.00 0.00 35.03 31.22 1nkk n LYS 103 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1nkk s SER 104 N -2.16 3.36 0.23 4.39 0.15 -0.79 -4.98 113.70 113.90 1nkk s SER 104 Ca 0.48 -0.60 -0.08 0.00 0.70 0.00 0.00 55.95 56.45 1nkk s SER 104 Cb 0.43 -1.53 0.20 0.00 -1.71 0.00 0.00 66.02 63.41 1nkk s SER 104 CO 0.03 -0.00 1.89 -0.33 1.20 0.00 0.00 173.24 176.03 1nkk h GLU 105 N 7.97 1.17 -0.61 5.44 4.39 -1.92 -1.46 114.58 129.56 1nkk h GLU 105 Ca -0.45 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.26 1nkk h GLU 105 Cb 1.14 -0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 29.46 1nkk h GLU 105 CO 0.63 0.79 0.21 1.25 -1.16 0.00 0.00 179.01 180.73 1nkk h LEU 106 N 1.19 0.19 -0.91 1.33 5.85 -1.96 0.10 115.31 121.11 1nkk h LEU 106 Ca 0.32 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 1nkk h LEU 106 Cb -0.10 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1nkk h LEU 106 CO -0.07 0.11 0.16 0.58 -0.34 0.00 0.00 178.44 178.89 1nkk h VAL 107 N 0.38 1.24 0.00 1.05 2.07 -1.69 -2.38 116.25 116.93 1nkk h VAL 107 Ca 0.31 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1nkk h VAL 107 Cb 0.40 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nkk h VAL 107 CO -0.32 0.33 -0.12 0.28 0.02 0.00 0.00 177.57 177.76 1nkk h SER 108 N 0.92 0.00 0.53 0.57 0.02 0.17 -0.11 113.55 115.64 1nkk h SER 108 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1nkk h SER 108 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1nkk h SER 108 CO -0.00 0.12 0.00 0.54 -1.14 0.00 0.00 176.83 176.35 1nkk n ARG 109 N -3.64 0.04 -1.39 3.45 1.74 -0.44 -4.99 116.66 111.43 1nkk n ARG 109 Ca -0.02 0.20 0.19 0.00 -0.77 0.00 0.00 57.85 57.45 1nkk n ARG 109 Cb 0.24 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 1nkk n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nkk n GLY 110 N 0.19 -1.95 3.97 -0.13 0.00 -0.06 -4.93 105.19 102.28 1nkk n GLY 110 Ca 0.05 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 1nkk n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nkk s PRO 111 N -2.28 0.83 0.00 1.61 0.04 -1.26 -4.97 135.00 128.96 1nkk s PRO 111 Ca 0.00 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1nkk s PRO 111 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1nkk s PRO 111 CO 0.00 -2.17 0.00 1.33 0.04 0.00 0.00 177.00 176.20 1nkk n VAL 112 N -3.46 0.00 0.00 -0.36 0.24 -1.26 -4.90 118.33 108.59 1nkk n VAL 112 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1nkk n VAL 112 Cb 0.60 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.57 1nkk n VAL 112 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1nkk n SER 113 N 0.00 0.00 -1.00 -1.34 7.64 -1.26 -2.72 113.62 114.94 1nkk n SER 113 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 1nkk n SER 113 Cb 0.00 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 1nkk n SER 113 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1nkk n PRO 114 N 0.00 3.18 -1.11 1.43 -0.04 -1.26 -5.01 135.00 132.20 1nkk n PRO 114 Ca 0.00 -2.73 -0.31 0.00 -0.04 0.00 0.00 63.50 60.42 1nkk n PRO 114 Cb 0.00 -1.78 0.11 0.00 -0.04 0.00 0.00 33.50 31.79 1nkk n PRO 114 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nkk s LEU 115 N -2.39 3.00 -0.11 1.53 1.43 -1.10 -5.03 118.68 116.01 1nkk s LEU 115 Ca 0.40 1.97 -0.04 0.00 -1.03 0.00 0.00 54.13 55.44 1nkk s LEU 115 Cb 0.31 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 1nkk s LEU 115 CO 0.12 -2.37 0.04 0.00 0.23 0.00 0.00 176.35 174.37 1nkk s GLN 116 N -4.74 3.25 0.25 1.70 -2.07 -1.26 -4.81 119.66 111.98 1nkk s GLN 116 Ca 0.64 -0.34 -0.31 0.00 -1.82 0.00 0.00 55.36 53.53 1nkk s GLN 116 Cb -0.20 -2.95 -0.14 0.00 -1.09 0.00 0.00 33.01 28.64 1nkk s GLN 116 CO 0.55 0.65 1.32 -0.35 -1.32 0.00 0.00 175.29 176.14 1nkk n PRO 117 N 2.34 1.87 -3.35 9.60 -0.04 -1.26 -4.87 135.00 139.28 1nkk n PRO 117 Ca -0.19 0.66 -0.26 0.00 -0.04 0.00 0.00 63.50 63.67 1nkk n PRO 117 Cb 0.54 -2.26 -0.09 0.00 -0.04 0.00 0.00 33.50 31.65 1nkk n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1nkk n ASP 118 N 1.84 -0.04 -0.36 3.54 -0.08 -1.26 -5.04 116.55 115.15 1nkk n ASP 118 Ca 0.11 -2.53 -0.08 0.00 -1.51 0.00 0.00 54.79 50.77 1nkk n ASP 118 Cb 0.31 -0.59 -0.07 0.00 2.34 0.00 0.00 41.12 43.11 1nkk n ASP 118 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1nkk n LYS 119 N 2.31 -0.36 -0.02 -0.67 5.02 -1.26 0.12 118.16 123.31 1nkk n LYS 119 Ca 0.27 1.31 -0.09 0.00 -2.02 0.00 0.00 58.31 57.78 1nkk n LYS 119 Cb 0.49 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1nkk n LYS 119 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1nkk h VAL 120 N 0.00 0.66 0.17 -0.18 2.07 -1.86 0.27 116.25 117.38 1nkk h VAL 120 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1nkk h VAL 120 Cb 0.38 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1nkk h VAL 120 CO -0.82 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 177.26 1nkk h VAL 121 N -0.12 0.81 -1.00 2.57 2.07 -1.37 -1.17 116.25 118.04 1nkk h VAL 121 Ca 0.10 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.73 1nkk h VAL 121 Cb 0.27 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 1nkk h VAL 121 CO -0.23 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.66 1nkk h GLU 122 N -0.25 0.98 -0.23 1.57 5.08 0.07 0.24 114.58 122.05 1nkk h GLU 122 Ca -0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1nkk h GLU 122 Cb 0.20 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1nkk h GLU 122 CO 0.03 0.65 0.10 0.35 -1.00 0.00 0.00 179.01 179.14 1nkk h PHE 123 N 1.01 0.35 -0.52 4.33 3.57 -0.00 -1.46 116.94 124.21 1nkk h PHE 123 Ca 0.49 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 1nkk h PHE 123 Cb 0.46 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1nkk h PHE 123 CO -0.00 0.37 0.31 -0.07 -2.23 0.00 0.00 178.31 176.68 1nkk h LEU 124 N 0.23 0.63 -0.88 0.59 3.38 -0.48 -1.44 115.31 117.34 1nkk h LEU 124 Ca 0.08 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1nkk h LEU 124 Cb 0.16 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 1nkk h LEU 124 CO -0.01 0.50 0.47 0.28 0.09 0.00 0.00 178.44 179.77 1nkk h SER 125 N 0.70 0.58 0.05 -0.43 0.02 -0.73 0.04 113.55 113.77 1nkk h SER 125 Ca 0.19 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 61.07 1nkk h SER 125 Cb -0.01 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.55 1nkk h SER 125 CO -0.03 0.24 -0.65 1.23 -1.14 0.00 0.00 176.83 176.47 1nkk h GLY 126 N 0.65 0.40 0.74 -3.77 0.00 -0.68 -3.23 103.07 97.19 1nkk h GLY 126 Ca 0.48 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1nkk h GLY 126 CO -0.36 0.70 -0.21 1.76 0.00 0.00 0.00 176.54 178.43 1nkk h SER 127 N -0.22 0.42 -2.24 0.19 0.02 -1.11 -3.38 113.55 107.24 1nkk h SER 127 Ca -0.10 -0.53 -0.61 0.00 -0.84 0.00 0.00 61.79 59.72 1nkk h SER 127 Cb 1.41 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 63.42 1nkk h SER 127 CO 0.13 0.87 -0.54 -1.22 -1.14 0.00 0.00 176.83 174.92 1nkk n TYR 128 N -4.49 3.69 1.54 3.45 4.02 -0.01 -3.75 117.16 121.61 1nkk n TYR 128 Ca -0.07 -4.06 0.13 0.00 -0.01 0.00 0.00 57.90 53.89 1nkk n TYR 128 Cb 0.41 -0.58 0.74 0.00 -0.02 0.00 0.00 39.34 39.90 1nkk n TYR 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1nkk n ALA 129 N 0.63 2.42 -2.43 -0.72 0.00 -0.90 -4.50 120.51 115.01 1nkk n ALA 129 Ca 0.30 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 1nkk n ALA 129 Cb 0.40 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 1nkk n ALA 129 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nkk s GLY 130 N -2.07 1.46 0.02 0.00 0.00 0.17 0.26 107.32 107.16 1nkk s GLY 130 Ca 0.36 -1.57 0.07 0.00 0.00 0.00 0.00 44.72 43.59 1nkk s GLY 130 CO 0.30 -1.63 -0.20 1.08 0.00 0.00 0.00 173.10 172.66 1nkk s LEU 131 N -2.87 2.48 -0.20 0.66 1.02 -0.46 -0.40 118.68 118.91 1nkk s LEU 131 Ca 0.19 -0.41 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 1nkk s LEU 131 Cb -0.05 -1.46 0.08 0.00 0.02 0.00 0.00 46.19 44.78 1nkk s LEU 131 CO 0.08 0.28 0.15 -0.55 0.02 0.00 0.00 176.35 176.33 1nkk s SER 132 N -1.15 2.11 0.38 2.29 0.15 0.93 -4.34 113.70 114.07 1nkk s SER 132 Ca 0.13 -0.57 -0.26 0.00 0.70 0.00 0.00 55.95 55.96 1nkk s SER 132 Cb -0.10 0.01 -0.09 0.00 -1.71 0.00 0.00 66.02 64.13 1nkk s SER 132 CO 0.03 -0.36 1.13 -0.22 1.20 0.00 0.00 173.24 175.03 1nkk s LEU 133 N 2.21 4.24 -0.19 3.45 2.96 -1.26 -0.44 118.68 129.65 1nkk s LEU 133 Ca 0.05 2.26 0.01 0.00 -0.22 0.00 0.00 54.13 56.24 1nkk s LEU 133 Cb -0.16 -4.00 0.03 0.00 0.50 0.00 0.00 46.19 42.57 1nkk s LEU 133 CO -0.15 -0.55 -0.17 -0.55 -1.32 0.00 0.00 176.35 173.62 1nkk s SER 134 N -1.19 3.36 0.21 3.68 0.15 0.05 -4.93 113.70 115.03 1nkk s SER 134 Ca 0.55 -0.80 -0.08 0.00 0.70 0.00 0.00 55.95 56.33 1nkk s SER 134 Cb -0.29 -1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 1nkk s SER 134 CO 0.36 -0.06 0.31 -0.94 1.20 0.00 0.00 173.24 174.12 1nkk s SER 135 N 1.28 0.03 0.57 5.45 1.04 -1.26 -0.15 113.70 120.66 1nkk s SER 135 Ca 0.02 -1.08 -0.18 0.00 0.48 0.00 0.00 55.95 55.18 1nkk s SER 135 Cb -0.15 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1nkk s SER 135 CO -0.11 -0.98 1.13 0.00 0.98 0.00 0.00 173.24 174.26 1nkk s ARG 136 N -4.06 3.23 0.00 4.02 1.70 -0.40 -4.95 118.95 118.50 1nkk s ARG 136 Ca 0.27 1.56 0.00 0.00 -0.47 0.00 0.00 55.73 57.09 1nkk s ARG 136 Cb 0.03 -1.99 0.00 0.00 -0.57 0.00 0.00 34.95 32.42 1nkk s ARG 136 CO 0.08 -0.94 0.62 0.54 -1.08 0.00 0.00 175.30 174.53 1nkk n ARG 137 N -1.55 0.00 0.00 3.89 1.74 -1.26 -5.04 116.66 114.44 1nkk n ARG 137 Ca 0.11 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1nkk n ARG 137 Cb 0.51 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1nkk n ARG 137 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1nkk n THR 152 N -1.12 0.00 -3.40 0.55 5.66 -1.26 -5.10 114.28 109.61 1nkk n THR 152 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1nkk n THR 152 Cb 0.04 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.72 1nkk n THR 152 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1nkk s THR 153 N -1.90 0.35 0.22 1.09 -4.23 -1.26 -4.53 115.64 105.38 1nkk s THR 153 Ca 0.00 -2.63 -0.09 0.00 -1.18 0.00 0.00 61.69 57.80 1nkk s THR 153 Cb 0.00 -1.27 0.19 0.00 1.34 0.00 0.00 72.50 72.76 1nkk s THR 153 CO 0.00 -1.22 1.88 -0.65 -0.54 0.00 0.00 174.62 174.09 1nkk h PRO 154 N 5.70 1.13 -5.48 3.99 0.11 -1.98 -3.40 132.00 132.07 1nkk h PRO 154 Ca 0.26 -0.09 -0.62 0.00 0.11 0.00 0.00 66.00 65.67 1nkk h PRO 154 Cb 0.91 -0.24 -0.12 0.00 0.11 0.00 0.00 31.00 31.66 1nkk h PRO 154 CO 0.37 0.77 0.13 -0.06 -0.21 0.00 0.00 178.00 179.00 1nkk s PHE 155 N -6.04 3.24 -0.21 0.65 0.08 -1.26 -1.27 117.98 113.17 1nkk s PHE 155 Ca -0.13 0.67 -0.20 0.00 0.12 0.00 0.00 56.93 57.39 1nkk s PHE 155 Cb 0.16 -2.90 -0.17 0.00 -0.57 0.00 0.00 43.02 39.54 1nkk s PHE 155 CO 0.80 -0.39 0.14 1.63 -0.10 0.00 0.00 175.22 177.30 1nkk n LYS 156 N 5.77 0.56 -3.60 0.44 4.76 0.79 -4.99 118.16 121.89 1nkk n LYS 156 Ca -0.01 0.55 -0.06 0.00 -2.87 0.00 0.00 58.31 55.92 1nkk n LYS 156 Cb 0.49 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 1nkk n LYS 156 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1nkk s HIS 157 N -2.37 -0.18 -0.12 2.13 -3.43 -1.11 -4.45 115.29 105.76 1nkk s HIS 157 Ca -0.29 0.22 -0.07 0.00 -0.80 0.00 0.00 55.06 54.13 1nkk s HIS 157 Cb 0.06 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.67 1nkk s HIS 157 CO 0.56 -0.22 0.12 0.08 -2.00 0.00 0.00 174.74 173.28 1nkk s VAL 158 N -1.76 5.37 0.04 -5.38 1.01 -1.16 -0.77 120.40 117.75 1nkk s VAL 158 Ca 0.06 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1nkk s VAL 158 Cb -0.01 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1nkk s VAL 158 CO -0.04 0.61 -0.24 0.00 0.00 0.00 0.00 175.10 175.43 1nkk s ALA 159 N -0.92 2.36 0.03 5.51 0.00 0.41 -2.76 121.76 126.39 1nkk s ALA 159 Ca 0.14 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 1nkk s ALA 159 Cb -0.12 -0.57 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 1nkk s ALA 159 CO 0.03 0.54 0.53 -0.51 0.00 0.00 0.00 175.76 176.36 1nkk s LEU 160 N -1.24 4.48 0.29 0.00 1.02 -0.31 -0.05 118.68 122.88 1nkk s LEU 160 Ca 0.12 1.14 -0.17 0.00 0.02 0.00 0.00 54.13 55.24 1nkk s LEU 160 Cb -0.10 -2.81 0.02 0.00 0.02 0.00 0.00 46.19 43.32 1nkk s LEU 160 CO 0.03 0.24 0.66 0.00 0.02 0.00 0.00 176.35 177.30 1nkk h SER 162 N 2.07 0.00 -2.19 0.00 4.64 -1.82 0.49 113.55 116.74 1nkk h SER 162 Ca -0.23 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.29 1nkk h SER 162 Cb 1.25 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.01 1nkk h SER 162 CO 0.29 0.00 0.90 0.68 -0.87 0.00 0.00 176.83 177.83 1nkk s VAL 163 N -3.22 0.00 0.15 0.95 -7.23 -1.26 -4.24 120.40 105.54 1nkk s VAL 163 Ca 0.08 0.00 -0.04 0.00 -1.81 0.00 0.00 61.98 60.20 1nkk s VAL 163 Cb 0.10 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.99 1nkk s VAL 163 CO 0.53 0.00 0.38 -0.83 -0.31 0.00 0.00 175.10 174.87 1nkk s GLY 164 N -0.06 2.19 0.52 2.32 0.00 -1.26 -4.89 107.32 106.14 1nkk s GLY 164 Ca 0.08 -0.59 0.30 0.00 0.00 0.00 0.00 44.72 44.51 1nkk s GLY 164 CO -0.15 -0.52 1.92 3.21 0.00 0.00 0.00 173.10 177.56 1nkk h ARG 165 N 2.74 0.00 -6.10 2.90 3.08 -2.00 -3.41 114.38 111.59 1nkk h ARG 165 Ca -0.46 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.02 1nkk h ARG 165 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.16 1nkk h ARG 165 CO 0.72 0.06 -0.03 0.50 -1.07 0.00 0.00 179.97 180.15 1nkk s ARG 166 N -3.64 4.27 0.22 0.04 6.06 -1.26 -4.91 118.95 119.73 1nkk s ARG 166 Ca 0.01 0.71 -0.24 0.00 -2.50 0.00 0.00 55.73 53.71 1nkk s ARG 166 Cb 0.09 -3.31 -0.09 0.00 0.06 0.00 0.00 34.95 31.70 1nkk s ARG 166 CO 0.58 0.45 0.80 1.03 -2.50 0.00 0.00 175.30 175.65 1nkk s ARG 167 N -0.44 4.48 0.00 5.12 1.81 -1.26 -3.91 118.95 124.75 1nkk s ARG 167 Ca 0.30 1.11 0.00 0.00 -1.72 0.00 0.00 55.73 55.42 1nkk s ARG 167 Cb -0.18 -3.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.28 1nkk s ARG 167 CO 0.17 0.45 0.00 0.41 -0.68 0.00 0.00 175.30 175.65 1nkk n GLY 168 N 1.08 0.79 1.88 -3.53 0.00 -1.26 -4.35 105.19 99.81 1nkk n GLY 168 Ca -0.03 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1nkk n GLY 168 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nkk n THR 169 N -2.40 2.75 -2.04 2.61 -2.24 -1.25 -4.27 114.28 107.43 1nkk n THR 169 Ca 0.00 -1.64 -0.41 0.00 -2.27 0.00 0.00 64.05 59.73 1nkk n THR 169 Cb 0.00 -1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 66.92 1nkk n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1nkk s LEU 170 N -1.85 4.40 -0.33 3.22 2.96 -1.26 -1.36 118.68 124.46 1nkk s LEU 170 Ca 0.31 2.73 -0.14 0.00 -0.22 0.00 0.00 54.13 56.82 1nkk s LEU 170 Cb 0.25 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 1nkk s LEU 170 CO -0.00 -0.63 0.29 0.00 -1.32 0.00 0.00 176.35 174.68 1nkk s ALA 171 N -0.76 3.51 -0.29 5.97 0.00 0.14 -4.30 121.76 126.04 1nkk s ALA 171 Ca 0.53 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 1nkk s ALA 171 Cb -0.41 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1nkk s ALA 171 CO 0.51 -0.94 0.15 0.08 0.00 0.00 0.00 175.76 175.56 1nkk s VAL 172 N 1.86 4.74 0.04 0.00 1.01 0.14 -4.79 120.40 123.39 1nkk s VAL 172 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1nkk s VAL 172 Cb -0.17 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1nkk s VAL 172 CO 0.11 0.18 0.18 -0.31 0.00 0.00 0.00 175.10 175.25 1nkk s TYR 173 N 1.66 3.47 -0.10 5.22 2.02 -1.26 -0.10 117.35 128.26 1nkk s TYR 173 Ca 0.06 0.25 -0.31 0.00 -0.37 0.00 0.00 57.07 56.70 1nkk s TYR 173 Cb -0.16 -1.76 0.12 0.00 -0.40 0.00 0.00 41.96 39.76 1nkk s TYR 173 CO 0.07 0.59 1.03 0.20 -1.57 0.00 0.00 175.55 175.87 1nkk s GLY 174 N -2.28 -0.37 0.39 0.71 0.00 0.12 -4.68 107.32 101.21 1nkk s GLY 174 Ca 0.31 1.38 0.27 0.00 0.00 0.00 0.00 44.72 46.68 1nkk s GLY 174 CO 0.24 0.50 1.76 3.21 0.00 0.00 0.00 173.10 178.81 1nkk h ARG 175 N 2.06 0.00 -4.58 2.90 2.47 -1.86 0.79 114.38 116.16 1nkk h ARG 175 Ca -0.17 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.00 1nkk h ARG 175 Cb 1.20 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.18 1nkk h ARG 175 CO 0.28 0.00 -0.82 0.34 0.56 0.00 0.00 179.97 180.32 1nkk s ASP 176 N -5.36 2.19 0.15 7.04 2.15 -1.26 -4.69 116.67 116.90 1nkk s ASP 176 Ca 0.06 -0.37 -0.25 0.00 0.43 0.00 0.00 52.55 52.42 1nkk s ASP 176 Cb 0.08 -0.96 0.02 0.00 -0.30 0.00 0.00 42.92 41.76 1nkk s ASP 176 CO 0.57 -0.01 1.59 -0.65 -0.17 0.00 0.00 175.17 176.51 1nkk h PRO 177 N 7.46 -0.31 0.08 4.34 0.11 -1.96 0.23 132.00 141.94 1nkk h PRO 177 Ca -0.31 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.85 1nkk h PRO 177 Cb 1.17 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1nkk h PRO 177 CO 0.47 -0.21 -0.29 0.93 -0.21 0.00 0.00 178.00 178.69 1nkk h GLU 178 N -0.33 -0.47 -0.46 1.05 4.39 -1.99 -0.06 114.58 116.72 1nkk h GLU 178 Ca 0.14 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.95 1nkk h GLU 178 Cb 0.56 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 1nkk h GLU 178 CO -0.50 -0.31 0.06 2.35 -1.16 0.00 0.00 179.01 179.45 1nkk h TRP 179 N -0.48 0.09 -0.25 4.33 7.01 -1.86 -1.98 115.95 122.80 1nkk h TRP 179 Ca 0.04 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1nkk h TRP 179 Cb 0.53 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 1nkk h TRP 179 CO -0.28 -0.03 0.14 0.28 -2.79 0.00 0.00 178.44 175.75 1nkk h VAL 180 N 0.19 1.02 0.00 2.65 2.07 0.03 -2.66 116.25 119.55 1nkk h VAL 180 Ca 0.23 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1nkk h VAL 180 Cb 0.31 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1nkk h VAL 180 CO -0.32 0.05 -0.13 0.00 0.02 0.00 0.00 177.57 177.19 1nkk h THR 181 N 0.29 1.04 -0.04 2.57 1.03 -0.58 -1.97 112.91 115.26 1nkk h THR 181 Ca 0.10 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1nkk h THR 181 Cb 0.00 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 1nkk h THR 181 CO -0.05 0.12 0.00 0.00 -0.01 0.00 0.00 175.52 175.59 1nkk n GLN 182 N -4.32 1.11 0.02 0.00 6.02 -0.79 -2.74 117.38 116.69 1nkk n GLN 182 Ca -0.03 -0.17 0.12 0.00 -0.01 0.00 0.00 57.00 56.92 1nkk n GLN 182 Cb 0.20 -1.15 0.26 0.00 1.02 0.00 0.00 30.24 30.57 1nkk n GLN 182 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1nkk n ARG 183 N -0.48 0.09 -3.56 -1.09 3.00 -0.74 -4.72 116.66 109.16 1nkk n ARG 183 Ca 0.07 0.02 -0.41 0.00 -0.01 0.00 0.00 57.85 57.52 1nkk n ARG 183 Cb 0.07 -1.55 -0.10 0.00 0.00 0.00 0.00 32.46 30.87 1nkk n ARG 183 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1nkk s PHE 184 N -3.05 3.27 0.44 -1.55 0.40 -1.11 -4.40 117.98 111.98 1nkk s PHE 184 Ca 0.10 -1.12 0.13 0.00 -0.60 0.00 0.00 56.93 55.45 1nkk s PHE 184 Cb 0.16 -2.73 1.03 0.00 0.51 0.00 0.00 43.02 42.00 1nkk s PHE 184 CO 0.69 -0.73 1.99 -1.35 0.70 0.00 0.00 175.22 176.52 1nkk h PRO 185 N 8.49 0.39 -0.21 0.24 0.11 -1.81 -2.71 132.00 136.50 1nkk h PRO 185 Ca -0.25 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1nkk h PRO 185 Cb 1.10 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1nkk h PRO 185 CO 0.73 0.26 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.33 1nkk h ASP 186 N 0.40 0.29 -3.91 -2.05 3.32 -1.93 -3.44 116.42 109.10 1nkk h ASP 186 Ca 0.25 -0.04 -0.51 0.00 0.02 0.00 0.00 57.03 56.75 1nkk h ASP 186 Cb 0.47 -0.07 0.05 0.00 0.22 0.00 0.00 39.33 39.99 1nkk h ASP 186 CO -0.07 0.36 0.52 -0.76 -1.72 0.00 0.00 179.24 177.57 1nkk s LEU 187 N -8.99 4.30 0.38 1.55 1.43 -1.02 -4.96 118.68 111.36 1nkk s LEU 187 Ca -0.06 2.39 0.08 0.00 -1.03 0.00 0.00 54.13 55.50 1nkk s LEU 187 Cb 0.16 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1nkk s LEU 187 CO 0.73 -0.55 0.22 0.42 0.23 0.00 0.00 176.35 177.40 1nkk s THR 188 N -1.33 2.80 0.31 5.49 -4.23 -1.26 -4.97 115.64 112.46 1nkk s THR 188 Ca 0.53 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.51 1nkk s THR 188 Cb -0.32 -3.01 0.30 0.00 1.34 0.00 0.00 72.50 70.81 1nkk s THR 188 CO 0.41 -0.09 1.81 0.00 -0.54 0.00 0.00 174.62 176.21 1nkk h ALA 189 N 1.37 1.69 -0.11 3.99 0.00 -1.99 0.54 119.26 124.75 1nkk h ALA 189 Ca -0.43 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1nkk h ALA 189 Cb 1.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1nkk h ALA 189 CO 0.63 -0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.93 1nkk h ALA 190 N 1.61 0.13 -0.00 0.00 0.00 -2.00 -1.19 119.26 117.81 1nkk h ALA 190 Ca 0.54 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.49 1nkk h ALA 190 Cb 0.79 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1nkk h ALA 190 CO -0.32 -0.40 -0.33 -0.44 0.00 0.00 0.00 179.25 177.76 1nkk h ASP 191 N 0.11 -1.01 -0.55 0.00 3.45 -1.34 -1.23 116.42 115.86 1nkk h ASP 191 Ca 0.04 0.13 0.13 0.00 0.43 0.00 0.00 57.03 57.77 1nkk h ASP 191 Cb 0.01 0.40 -0.03 0.00 -0.56 0.00 0.00 39.33 39.15 1nkk h ASP 191 CO -0.03 -0.40 0.38 0.03 -1.57 0.00 0.00 179.24 177.65 1nkk h ARG 192 N -0.49 0.15 -0.07 3.56 3.08 -0.81 -0.53 114.38 119.27 1nkk h ARG 192 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1nkk h ARG 192 Cb 0.57 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1nkk h ARG 192 CO -0.28 0.10 0.01 -0.44 -1.07 0.00 0.00 179.97 178.29 1nkk h ASP 193 N 0.16 0.10 -0.19 7.04 3.45 -0.05 0.41 116.42 127.34 1nkk h ASP 193 Ca 0.26 -0.26 0.04 0.00 0.43 0.00 0.00 57.03 57.50 1nkk h ASP 193 Cb 0.82 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 39.53 1nkk h ASP 193 CO -0.04 0.34 -0.06 1.23 -1.57 0.00 0.00 179.24 179.14 1nkk h GLY 194 N -0.13 0.12 0.91 2.75 0.00 -0.46 0.96 103.07 107.22 1nkk h GLY 194 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1nkk h GLY 194 CO 0.00 -0.09 0.07 1.41 0.00 0.00 0.00 176.54 177.94 1nkk h LEU 195 N -0.02 0.53 -0.39 3.11 3.38 -1.24 -2.78 115.31 117.89 1nkk h LEU 195 Ca 0.10 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1nkk h LEU 195 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1nkk h LEU 195 CO -0.21 0.63 0.22 -0.09 0.09 0.00 0.00 178.44 179.09 1nkk h ARG 196 N 0.40 0.44 -0.49 1.13 2.43 0.19 -0.94 114.38 117.54 1nkk h ARG 196 Ca 0.11 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1nkk h ARG 196 Cb 0.32 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 1nkk h ARG 196 CO 0.00 0.29 0.04 0.00 -1.51 0.00 0.00 179.97 178.80 1nkk h ALA 197 N 1.18 0.50 0.55 2.80 0.00 -0.76 -1.98 119.26 121.55 1nkk h ALA 197 Ca 0.16 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1nkk h ALA 197 Cb 0.02 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nkk h ALA 197 CO -0.08 -0.36 -0.26 1.96 0.00 0.00 0.00 179.25 180.51 1nkk h GLN 198 N 0.16 -0.71 -0.24 0.00 4.20 -1.13 -3.07 115.11 114.33 1nkk h GLN 198 Ca 0.25 0.05 0.07 0.00 0.06 0.00 0.00 58.65 59.08 1nkk h GLN 198 Cb 0.36 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1nkk h GLN 198 CO -0.38 -0.47 0.39 0.11 -0.67 0.00 0.00 178.83 177.81 1nkk h TRP 199 N -0.87 0.00 0.00 2.96 0.09 -1.08 0.13 115.95 117.18 1nkk h TRP 199 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.87 1nkk h TRP 199 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.80 1nkk h TRP 199 CO 0.06 0.00 -0.20 1.96 0.09 0.00 0.00 178.44 180.35 1nkk h GLN 200 N 0.00 0.00 0.00 0.12 4.20 -1.30 -3.50 115.11 114.63 1nkk h GLN 200 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1nkk h GLN 200 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1nkk h GLN 200 CO -0.00 0.14 0.00 -2.13 -0.67 0.00 0.00 178.83 176.17 1nkk n ARG 201 N -3.11 0.02 -4.51 1.46 3.00 0.46 -5.11 116.66 108.87 1nkk n ARG 201 Ca 0.03 0.16 -0.27 0.00 -0.00 0.00 0.00 57.85 57.77 1nkk n ARG 201 Cb 0.59 -1.53 -0.10 0.00 0.00 0.00 0.00 32.46 31.41 1nkk n ARG 201 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nkk s GLY 211 N -3.06 2.47 0.00 5.14 0.00 -1.26 -5.04 107.32 105.57 1nkk s GLY 211 Ca 0.10 -2.26 0.00 0.00 0.00 0.00 0.00 44.72 42.55 1nkk s GLY 211 CO 0.39 -2.06 0.00 1.34 0.00 0.00 0.00 173.10 172.77 1nkk n ASP 212 N -1.02 -3.49 -0.51 1.64 -0.08 -1.26 -4.87 116.55 106.96 1nkk n ASP 212 Ca -0.04 0.62 0.04 0.00 -1.51 0.00 0.00 54.79 53.89 1nkk n ASP 212 Cb 0.66 -0.97 0.11 0.00 2.34 0.00 0.00 41.12 43.26 1nkk n ASP 212 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1nkk n PRO 213 N 1.93 1.65 -3.16 -0.67 -0.04 -1.26 -4.76 135.00 128.70 1nkk n PRO 213 Ca 0.00 -0.88 -0.46 0.00 -0.04 0.00 0.00 63.50 62.12 1nkk n PRO 213 Cb 0.00 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 1nkk n PRO 213 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1nkk s PHE 214 N -1.66 3.46 -0.32 0.54 5.36 -1.06 -3.39 117.98 120.91 1nkk s PHE 214 Ca 0.16 -1.69 0.02 0.00 -0.96 0.00 0.00 56.93 54.46 1nkk s PHE 214 Cb 0.09 -4.01 0.41 0.00 -0.34 0.00 0.00 43.02 39.17 1nkk s PHE 214 CO 0.10 -1.20 1.69 0.54 -1.46 0.00 0.00 175.22 174.88 1nkk n ARG 215 N 5.13 1.88 -3.01 10.12 3.00 0.40 -4.88 116.66 129.29 1nkk n ARG 215 Ca 0.16 -2.01 -0.12 0.00 -0.01 0.00 0.00 57.85 55.88 1nkk n ARG 215 Cb 0.47 -1.79 -0.03 0.00 0.00 0.00 0.00 32.46 31.12 1nkk n ARG 215 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1nkk n SER 216 N -0.49 2.04 -2.27 0.55 2.88 -1.20 -4.89 113.62 110.25 1nkk n SER 216 Ca 0.40 -1.86 -0.10 0.00 -1.33 0.00 0.00 58.87 55.98 1nkk n SER 216 Cb 1.14 0.23 -0.03 0.00 -0.75 0.00 0.00 64.21 64.80 1nkk n SER 216 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nkk n ASP 217 N -1.37 -0.68 -0.24 -3.46 5.68 -1.26 -5.02 116.55 110.20 1nkk n ASP 217 Ca -0.06 -2.22 0.02 0.00 -0.50 0.00 0.00 54.79 52.02 1nkk n ASP 217 Cb 0.25 1.36 0.14 0.00 -1.14 0.00 0.00 41.12 41.73 1nkk n ASP 217 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1nkk h SER 218 N 1.22 0.40 -0.38 -1.12 4.64 -1.99 -1.62 113.55 114.70 1nkk h SER 218 Ca -0.16 0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1nkk h SER 218 Cb 0.73 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.78 1nkk h SER 218 CO 0.22 0.22 0.09 1.88 -0.87 0.00 0.00 176.83 178.36 1nkk h TYR 219 N 0.54 0.14 -0.76 4.77 0.05 -1.98 0.40 116.97 120.13 1nkk h TYR 219 Ca 0.35 0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.20 1nkk h TYR 219 Cb 0.42 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.10 1nkk h TYR 219 CO -0.13 0.03 0.50 0.78 -1.05 0.00 0.00 178.16 178.30 1nkk h GLY 220 N 0.22 1.06 0.81 3.88 0.00 -1.72 -0.27 103.07 107.05 1nkk h GLY 220 Ca 0.18 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1nkk h GLY 220 CO -0.23 0.31 -0.18 1.41 0.00 0.00 0.00 176.54 177.85 1nkk h LEU 221 N 0.92 0.48 -0.25 3.11 3.38 -0.38 -2.13 115.31 120.44 1nkk h LEU 221 Ca 0.31 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1nkk h LEU 221 Cb 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1nkk h LEU 221 CO -0.09 0.86 -0.08 0.25 0.09 0.00 0.00 178.44 179.47 1nkk h LEU 222 N 0.11 -0.28 -0.78 1.67 6.46 0.42 -1.91 115.31 121.00 1nkk h LEU 222 Ca 0.03 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1nkk h LEU 222 Cb 0.72 0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.79 1nkk h LEU 222 CO 0.05 -0.11 0.50 1.23 -0.62 0.00 0.00 178.44 179.49 1nkk h GLY 223 N -0.03 1.11 2.00 3.75 0.00 -1.04 -2.21 103.07 106.65 1nkk h GLY 223 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1nkk h GLY 223 CO -0.27 0.35 -0.17 -0.57 0.00 0.00 0.00 176.54 175.88 1nkk h ASN 224 N 1.00 0.00 0.01 0.19 -1.24 -0.77 -2.84 115.58 111.93 1nkk h ASN 224 Ca 0.30 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.13 1nkk h ASN 224 Cb -0.04 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 1nkk h ASN 224 CO -0.09 0.17 -0.62 0.28 -1.29 0.00 0.00 177.43 175.88 1nkk h SER 225 N 0.00 0.68 -0.65 1.15 0.02 -0.73 -2.64 113.55 111.39 1nkk h SER 225 Ca -0.00 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1nkk h SER 225 Cb 0.33 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1nkk h SER 225 CO 0.02 1.14 0.40 0.58 -1.14 0.00 0.00 176.83 177.83 1nkk h VAL 226 N 0.44 1.19 -0.42 2.27 2.07 -1.38 -1.02 116.25 119.40 1nkk h VAL 226 Ca -0.01 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1nkk h VAL 226 Cb 1.20 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1nkk h VAL 226 CO 0.12 0.19 0.24 0.44 0.02 0.00 0.00 177.57 178.58 1nkk h ASP 227 N 0.91 0.37 -0.15 0.57 3.45 -1.41 -2.69 116.42 117.47 1nkk h ASP 227 Ca 0.24 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1nkk h ASP 227 Cb -0.04 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 1nkk h ASP 227 CO -0.04 0.27 0.09 0.00 -1.57 0.00 0.00 179.24 177.99 1nkk h ALA 228 N 1.20 1.88 0.00 3.45 0.00 -0.90 -2.06 119.26 122.83 1nkk h ALA 228 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nkk h ALA 228 Cb 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nkk h ALA 228 CO -0.09 0.11 -0.01 -0.07 0.00 0.00 0.00 179.25 179.19 1nkk h LEU 229 N 0.20 0.00 -2.74 0.00 3.38 -1.09 -2.28 115.31 112.79 1nkk h LEU 229 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nkk h LEU 229 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nkk h LEU 229 CO -0.01 0.01 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 1nkk n TYR 230 N -3.56 0.89 -2.47 1.13 4.01 -0.77 -4.90 117.16 111.49 1nkk n TYR 230 Ca -0.03 -0.48 -0.43 0.00 -0.16 0.00 0.00 57.90 56.80 1nkk n TYR 230 Cb 0.09 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1nkk n TYR 230 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nkk s ILE 231 N -1.03 4.31 0.18 -0.72 1.01 -0.86 -4.94 121.20 119.15 1nkk s ILE 231 Ca 0.45 1.61 -0.31 0.00 0.00 0.00 0.00 60.65 62.40 1nkk s ILE 231 Cb 0.24 -4.04 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 1nkk s ILE 231 CO 0.31 -0.06 1.48 -0.13 0.00 0.00 0.00 174.94 176.54 1nkk s ARG 232 N 2.73 4.26 -1.32 2.79 3.00 -1.26 -3.11 118.95 126.04 1nkk s ARG 232 Ca 0.54 2.27 -0.06 0.00 0.00 0.00 0.00 55.73 58.49 1nkk s ARG 232 Cb -0.23 -3.16 0.01 0.00 0.00 0.00 0.00 34.95 31.57 1nkk s ARG 232 CO 0.18 -0.50 1.08 0.39 0.00 0.00 0.00 175.30 176.45 1nkk n GLU 233 N 3.39 -7.13 0.20 3.54 1.02 -1.26 -4.93 120.64 115.47 1nkk n GLU 233 Ca 0.11 0.80 -0.15 0.00 -0.02 0.00 0.00 57.16 57.90 1nkk n GLU 233 Cb 0.40 -5.80 -0.08 0.00 -0.02 0.00 0.00 31.44 25.93 1nkk n GLU 233 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1nkk h ARG 234 N -2.33 -0.45 0.00 3.49 2.43 -1.92 -2.84 114.38 112.76 1nkk h ARG 234 Ca -0.58 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1nkk h ARG 234 Cb 1.36 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1nkk h ARG 234 CO 0.55 -0.23 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.71 1nkk h LEU 235 N -0.59 -0.00 -0.64 3.80 -0.00 -1.91 -2.48 115.31 113.49 1nkk h LEU 235 Ca -0.05 -0.29 0.14 0.00 -0.00 0.00 0.00 57.88 57.68 1nkk h LEU 235 Cb 0.43 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.98 1nkk h LEU 235 CO 0.08 0.28 -0.06 -0.65 -0.00 0.00 0.00 178.44 178.10 1nkk h PRO 236 N -0.29 0.07 -0.27 1.13 0.11 -1.96 0.52 132.00 131.30 1nkk h PRO 236 Ca -0.00 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 1nkk h PRO 236 Cb 0.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1nkk h PRO 236 CO 0.00 0.05 -0.32 0.87 -0.21 0.00 0.00 178.00 178.38 1nkk h LYS 237 N 0.07 0.58 -0.19 1.05 1.57 -1.52 -1.60 116.57 116.53 1nkk h LYS 237 Ca 0.33 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1nkk h LYS 237 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1nkk h LYS 237 CO -0.59 0.83 -0.10 1.25 -0.57 0.00 0.00 179.45 180.26 1nkk h LEU 238 N 0.49 0.28 0.00 2.94 5.85 -0.73 0.17 115.31 124.31 1nkk h LEU 238 Ca 0.06 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1nkk h LEU 238 Cb 0.80 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1nkk h LEU 238 CO 0.07 0.42 -0.17 0.03 -0.34 0.00 0.00 178.44 178.45 1nkk h ARG 239 N 0.29 0.11 -0.88 1.25 3.08 -0.66 -2.05 114.38 115.52 1nkk h ARG 239 Ca 0.06 -0.12 0.19 0.00 0.07 0.00 0.00 59.98 60.18 1nkk h ARG 239 Cb 0.37 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.34 1nkk h ARG 239 CO 0.02 0.88 0.42 -0.92 -1.07 0.00 0.00 179.97 179.30 1nkk h TYR 240 N -0.61 0.71 -0.19 3.04 3.20 -1.00 -1.13 116.97 121.00 1nkk h TYR 240 Ca -0.02 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1nkk h TYR 240 Cb 0.94 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 1nkk h TYR 240 CO 0.19 0.06 -0.09 -0.44 -1.64 0.00 0.00 178.16 176.24 1nkk h ASP 241 N 0.50 0.41 -0.69 -2.11 3.32 -0.67 -1.51 116.42 115.67 1nkk h ASP 241 Ca 0.52 -0.41 0.08 0.00 0.02 0.00 0.00 57.03 57.23 1nkk h ASP 241 Cb 0.88 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.25 1nkk h ASP 241 CO -0.45 0.73 0.35 0.50 -1.72 0.00 0.00 179.24 178.65 1nkk h LYS 242 N 0.08 0.60 0.27 3.56 3.64 -0.49 -1.49 116.57 122.74 1nkk h LYS 242 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1nkk h LYS 242 Cb 0.58 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1nkk h LYS 242 CO 0.03 0.40 -0.13 1.96 -2.27 0.00 0.00 179.45 179.44 1nkk h GLN 243 N 0.62 -0.34 -1.01 1.90 4.20 -1.32 -1.22 115.11 117.93 1nkk h GLN 243 Ca 0.33 0.02 0.31 0.00 0.06 0.00 0.00 58.65 59.37 1nkk h GLN 243 Cb 0.31 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 28.02 1nkk h GLN 243 CO -0.24 -0.03 0.58 1.25 -0.67 0.00 0.00 178.83 179.73 1nkk h LEU 244 N -0.97 0.55 -0.95 1.46 5.85 -1.18 1.29 115.31 121.37 1nkk h LEU 244 Ca -0.04 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1nkk h LEU 244 Cb 0.48 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1nkk h LEU 244 CO 0.06 -0.08 0.00 0.55 -0.34 0.00 0.00 178.44 178.63 1nkk n VAL 245 N -5.00 0.22 -1.07 1.05 3.14 -0.57 -4.92 118.33 111.19 1nkk n VAL 245 Ca 0.31 -0.31 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1nkk n VAL 245 Cb 0.94 0.24 -0.01 0.00 -1.06 0.00 0.00 33.84 33.95 1nkk n VAL 245 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nkk n GLY 246 N 1.05 0.31 0.17 7.55 0.00 0.44 -4.29 105.19 110.42 1nkk n GLY 246 Ca 0.14 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1nkk n GLY 246 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nkk h VAL 247 N 0.00 0.00 -0.94 1.61 2.07 -1.45 -2.30 116.25 115.24 1nkk h VAL 247 Ca -0.05 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1nkk h VAL 247 Cb 0.90 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1nkk h VAL 247 CO 0.08 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.28 1nkk h THR 248 N 0.00 1.21 0.00 2.57 1.03 -1.67 -2.44 112.91 113.60 1nkk h THR 248 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1nkk h THR 248 Cb 0.58 -0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.52 1nkk h THR 248 CO 0.00 0.23 0.00 -0.62 -0.01 0.00 0.00 175.52 175.12 1nkk n GLU 249 N -4.46 0.01 -3.07 0.00 4.71 -0.86 -4.85 120.64 112.12 1nkk n GLU 249 Ca 0.11 0.30 -0.14 0.00 -0.01 0.00 0.00 57.16 57.43 1nkk n GLU 249 Cb 0.04 -1.51 -0.02 0.00 -1.01 0.00 0.00 31.44 28.93 1nkk n GLU 249 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1nkk n ARG 250 N -1.53 1.39 -4.15 3.49 1.74 -0.92 -5.13 116.66 111.56 1nkk n ARG 250 Ca 0.03 -1.64 -0.34 0.00 -0.77 0.00 0.00 57.85 55.13 1nkk n ARG 250 Cb 0.14 0.39 -0.10 0.00 -1.02 0.00 0.00 32.46 31.87 1nkk n ARG 250 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1nkk s GLU 251 N -2.86 3.74 0.37 5.56 8.01 -1.26 -5.03 118.70 127.23 1nkk s GLU 251 Ca 0.03 -0.38 -0.16 0.00 0.01 0.00 0.00 54.97 54.46 1nkk s GLU 251 Cb -0.00 -3.08 0.05 0.00 -4.31 0.00 0.00 34.13 26.79 1nkk s GLU 251 CO 0.02 0.36 0.78 -1.54 0.01 0.00 0.00 175.26 174.88 1nkk s SER 252 N 0.11 -0.02 -0.03 -0.19 1.04 -1.26 -4.99 113.70 108.36 1nkk s SER 252 Ca 0.03 -1.09 0.15 0.00 0.48 0.00 0.00 55.95 55.52 1nkk s SER 252 Cb -0.13 0.84 0.48 0.00 0.10 0.00 0.00 66.02 67.31 1nkk s SER 252 CO 0.01 -1.65 1.38 -1.22 0.98 0.00 0.00 173.24 172.74 1nkk n TYR 253 N -0.52 0.83 -1.67 5.02 4.01 -1.26 -4.75 117.16 118.81 1nkk n TYR 253 Ca -0.08 -0.37 -0.42 0.00 -0.16 0.00 0.00 57.90 56.87 1nkk n TYR 253 Cb 0.60 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1nkk n TYR 253 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nkk s VAL 254 N -1.47 3.03 -0.61 -0.72 1.01 -1.26 -4.79 120.40 115.60 1nkk s VAL 254 Ca 0.35 0.04 0.25 0.00 0.00 0.00 0.00 61.98 62.62 1nkk s VAL 254 Cb 0.20 -3.03 0.17 0.00 0.00 0.00 0.00 36.38 33.72 1nkk s VAL 254 CO 0.21 -0.01 1.50 0.11 0.00 0.00 0.00 175.10 176.92 1nkk h LYS 255 N 11.39 0.00 0.00 2.72 1.79 -1.90 -3.51 116.57 127.07 1nkk h LYS 255 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1nkk h LYS 255 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1nkk h LYS 255 CO 0.95 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.32