#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkn s SER 2 N 0.00 3.05 0.71 2.61 0.01 -1.26 -5.13 113.70 113.69 1dkn s SER 2 Ca 0.00 -0.72 -0.14 0.00 1.31 0.00 0.00 55.95 56.40 1dkn s SER 2 Cb 0.00 -1.13 0.03 0.00 0.21 0.00 0.00 66.02 65.12 1dkn s SER 2 CO 0.00 -0.13 1.13 -1.61 0.41 0.00 0.00 173.24 173.04 1dkn s GLU 3 N 1.48 2.47 0.15 12.44 8.01 -1.26 -4.98 118.70 137.01 1dkn s GLU 3 Ca 0.01 1.43 -0.31 0.00 0.01 0.00 0.00 54.97 56.12 1dkn s GLU 3 Cb -0.15 -1.91 -0.08 0.00 -4.31 0.00 0.00 34.13 27.68 1dkn s GLU 3 CO -0.09 -1.51 1.39 -2.14 0.01 0.00 0.00 175.26 172.92 1dkn s PRO 4 N -4.23 4.32 0.21 0.39 0.02 -1.26 -4.91 135.00 129.54 1dkn s PRO 4 Ca 0.67 2.11 0.23 0.00 0.02 0.00 0.00 61.00 64.04 1dkn s PRO 4 Cb -0.22 -3.22 0.18 0.00 0.02 0.00 0.00 34.50 31.26 1dkn s PRO 4 CO 0.46 -0.41 1.23 1.05 -0.33 0.00 0.00 177.00 178.99 1dkn h GLU 5 N 6.38 0.00 -6.67 5.54 4.11 -1.96 -3.46 114.58 118.52 1dkn h GLU 5 Ca -0.43 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.32 1dkn h GLU 5 Cb 1.21 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.20 1dkn h GLU 5 CO 0.84 0.00 -0.88 -0.51 0.07 0.00 0.00 179.01 178.54 1dkn s LEU 6 N -5.12 2.17 -0.18 3.06 2.01 -1.26 -1.35 118.68 118.02 1dkn s LEU 6 Ca 0.03 -0.59 -0.00 0.00 0.01 0.00 0.00 54.13 53.58 1dkn s LEU 6 Cb 0.10 -1.25 0.04 0.00 0.01 0.00 0.00 46.19 45.10 1dkn s LEU 6 CO 0.75 0.24 -0.07 -0.75 1.01 0.00 0.00 176.35 177.53 1dkn s LYS 7 N -1.27 1.63 0.05 1.70 2.20 -0.76 -4.93 119.74 118.36 1dkn s LYS 7 Ca 0.11 -0.64 -0.32 0.00 -0.36 0.00 0.00 55.97 54.76 1dkn s LYS 7 Cb -0.10 -2.16 -0.11 0.00 -1.51 0.00 0.00 37.83 33.94 1dkn s LYS 7 CO 0.02 -0.44 1.82 -0.11 -0.36 0.00 0.00 175.35 176.29 1dkn n LEU 8 N 4.81 3.70 -0.00 5.43 7.94 -1.26 -1.65 117.00 135.97 1dkn n LEU 8 Ca -0.13 0.99 0.01 0.00 -1.11 0.00 0.00 56.01 55.77 1dkn n LEU 8 Cb 0.47 -1.47 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 1dkn n LEU 8 CO 0.18 0.02 -0.54 -0.62 -1.11 0.00 0.00 177.39 175.32 1dkn n GLU 9 N 5.79 0.52 -3.65 1.96 1.02 0.18 -4.72 120.64 121.75 1dkn n GLU 9 Ca 0.20 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.17 1dkn n GLU 9 Cb 0.34 -1.07 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 1dkn n GLU 9 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dkn s SER 10 N -2.48 -0.70 -0.04 1.62 0.15 -1.14 -4.76 113.70 106.35 1dkn s SER 10 Ca -0.01 1.34 0.03 0.00 0.70 0.00 0.00 55.95 58.01 1dkn s SER 10 Cb 0.02 1.36 0.01 0.00 -1.71 0.00 0.00 66.02 65.69 1dkn s SER 10 CO 0.13 -0.23 -0.12 -0.69 1.20 0.00 0.00 173.24 173.53 1dkn s VAL 11 N 0.39 1.05 -0.12 4.45 1.01 0.14 -1.07 120.40 126.25 1dkn s VAL 11 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1dkn s VAL 11 Cb -0.05 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1dkn s VAL 11 CO 0.00 0.32 -0.06 -0.69 0.00 0.00 0.00 175.10 174.67 1dkn s VAL 12 N 0.33 0.97 -0.22 2.92 1.01 0.05 -0.28 120.40 125.18 1dkn s VAL 12 Ca -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1dkn s VAL 12 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1dkn s VAL 12 CO 0.02 0.32 -0.07 -0.63 0.00 0.00 0.00 175.10 174.74 1dkn s ILE 13 N 1.73 3.08 -0.37 2.22 1.01 0.12 -1.04 121.20 127.94 1dkn s ILE 13 Ca 0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1dkn s ILE 13 Cb -0.13 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1dkn s ILE 13 CO -0.08 0.40 0.23 -0.69 0.00 0.00 0.00 174.94 174.79 1dkn s VAL 14 N 1.42 4.80 0.10 2.92 1.01 -0.27 0.78 120.40 131.16 1dkn s VAL 14 Ca 0.05 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1dkn s VAL 14 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1dkn s VAL 14 CO -0.05 -0.21 -0.16 -0.55 0.00 0.00 0.00 175.10 174.13 1dkn s SER 15 N 1.60 4.00 0.32 3.32 0.15 0.79 -0.29 113.70 123.58 1dkn s SER 15 Ca 0.03 -0.49 -0.17 0.00 0.70 0.00 0.00 55.95 56.02 1dkn s SER 15 Cb -0.19 -0.63 -0.09 0.00 -1.71 0.00 0.00 66.02 63.40 1dkn s SER 15 CO 0.08 0.19 0.76 -0.60 1.20 0.00 0.00 173.24 174.87 1dkn s ARG 16 N -2.04 4.09 1.18 5.44 3.52 -0.38 0.12 118.95 130.88 1dkn s ARG 16 Ca 0.18 0.78 -0.16 0.00 -0.13 0.00 0.00 55.73 56.40 1dkn s ARG 16 Cb -0.11 -2.49 0.22 0.00 -1.56 0.00 0.00 34.95 31.01 1dkn s ARG 16 CO 0.10 0.18 0.54 -2.39 -0.81 0.00 0.00 175.30 172.93 1dkn n HIS 17 N -0.17 -1.53 -2.07 5.12 -0.00 -0.38 -2.29 115.22 113.90 1dkn n HIS 17 Ca 0.03 -0.08 -0.28 0.00 -0.00 0.00 0.00 57.72 57.39 1dkn n HIS 17 Cb 0.53 -1.61 0.17 0.00 -0.00 0.00 0.00 29.99 29.08 1dkn n HIS 17 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1dkn s GLY 18 N -2.15 1.77 0.23 -1.39 0.00 -1.26 -0.59 107.32 103.93 1dkn s GLY 18 Ca 0.63 -1.30 -0.31 0.00 0.00 0.00 0.00 44.72 43.73 1dkn s GLY 18 CO 0.65 -0.58 1.43 3.33 0.00 0.00 0.00 173.10 177.93 1dkn n VAL 19 N -3.54 0.85 -4.17 1.40 0.24 -1.26 -4.79 118.33 107.05 1dkn n VAL 19 Ca 0.15 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 1dkn n VAL 19 Cb 0.60 -1.49 -0.10 0.00 -1.47 0.00 0.00 33.84 31.37 1dkn n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dkn s ARG 20 N -0.27 0.87 0.52 7.34 1.70 -1.26 -2.61 118.95 125.24 1dkn s ARG 20 Ca 0.69 -1.37 -0.21 0.00 -0.47 0.00 0.00 55.73 54.37 1dkn s ARG 20 Cb -0.65 -0.14 -0.06 0.00 -0.57 0.00 0.00 34.95 33.53 1dkn s ARG 20 CO 0.48 -0.07 1.22 0.00 -1.08 0.00 0.00 175.30 175.86 1dkn s ALA 21 N -3.69 2.80 -0.31 7.88 0.00 -1.00 -4.84 121.76 122.60 1dkn s ALA 21 Ca 0.15 1.05 -0.36 0.00 0.00 0.00 0.00 51.96 52.79 1dkn s ALA 21 Cb 0.06 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 1dkn s ALA 21 CO -0.03 -0.98 2.06 -0.35 0.00 0.00 0.00 175.76 176.47 1dkn n PRO 22 N -0.98 1.19 -0.27 0.00 -0.04 -1.26 -1.04 135.00 132.60 1dkn n PRO 22 Ca 0.10 0.37 0.33 0.00 -0.04 0.00 0.00 63.50 64.26 1dkn n PRO 22 Cb 0.48 -2.38 0.61 0.00 -0.04 0.00 0.00 33.50 32.17 1dkn n PRO 22 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1dkn h THR 23 N 6.53 0.12 -3.99 0.52 1.35 -1.88 -3.37 112.91 112.19 1dkn h THR 23 Ca -0.33 0.00 -0.38 0.00 -0.55 0.00 0.00 66.41 65.15 1dkn h THR 23 Cb 1.32 0.17 -0.14 0.00 -1.73 0.00 0.00 68.15 67.77 1dkn h THR 23 CO 1.00 0.00 -0.58 -0.54 -0.25 0.00 0.00 175.52 175.15 1dkn s LYS 24 N -4.62 1.50 -0.43 4.72 1.02 -1.26 -4.56 119.74 116.11 1dkn s LYS 24 Ca -0.04 -1.83 0.08 0.00 0.02 0.00 0.00 55.97 54.20 1dkn s LYS 24 Cb 0.18 -0.10 0.35 0.00 -0.52 0.00 0.00 37.83 37.74 1dkn s LYS 24 CO 0.61 -0.40 1.13 0.00 -0.92 0.00 0.00 175.35 175.77 1dkn n ALA 25 N -0.51 0.26 -0.78 5.17 0.00 -1.26 -5.08 120.51 118.30 1dkn n ALA 25 Ca 0.01 -1.73 -0.19 0.00 0.00 0.00 0.00 53.44 51.54 1dkn n ALA 25 Cb 0.65 -1.08 0.26 0.00 0.00 0.00 0.00 19.45 19.28 1dkn n ALA 25 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dkn n THR 26 N 0.09 0.00 0.05 0.00 -2.24 -1.26 -4.98 114.28 105.94 1dkn n THR 26 Ca 0.06 -0.31 -0.03 0.00 -2.27 0.00 0.00 64.05 61.50 1dkn n THR 26 Cb 0.74 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.75 1dkn n THR 26 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1dkn h GLN 27 N 0.00 0.00 -0.71 -0.78 5.75 -2.01 -3.30 115.11 114.06 1dkn h GLN 27 Ca -0.40 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.05 1dkn h GLN 27 Cb 1.26 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 1dkn h GLN 27 CO 0.25 0.53 0.24 1.25 -2.65 0.00 0.00 178.83 178.46 1dkn h LEU 28 N 0.00 1.02 -0.97 -2.39 6.46 -1.99 -2.47 115.31 114.97 1dkn h LEU 28 Ca -0.12 -0.20 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1dkn h LEU 28 Cb 1.67 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 41.28 1dkn h LEU 28 CO 0.08 0.94 0.63 0.24 -0.62 0.00 0.00 178.44 179.71 1dkn h MET 29 N 1.04 1.17 0.00 1.25 2.86 -1.94 -1.81 114.93 117.50 1dkn h MET 29 Ca 0.23 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1dkn h MET 29 Cb 0.27 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1dkn h MET 29 CO -0.01 0.77 -0.06 0.37 1.06 0.00 0.00 176.91 179.04 1dkn h GLN 30 N 1.21 0.00 0.00 1.72 5.75 -1.60 -3.22 115.11 118.97 1dkn h GLN 30 Ca 0.40 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1dkn h GLN 30 Cb 0.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1dkn h GLN 30 CO -0.14 0.00 -0.29 -0.25 -2.65 0.00 0.00 178.83 175.51 1dkn n ASP 31 N -2.47 0.64 -1.12 -0.69 10.43 -0.71 -3.67 116.55 118.95 1dkn n ASP 31 Ca 0.05 0.31 0.11 0.00 2.57 0.00 0.00 54.79 57.83 1dkn n ASP 31 Cb 0.46 -0.29 0.22 0.00 1.84 0.00 0.00 41.12 43.35 1dkn n ASP 31 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1dkn n VAL 32 N -2.03 0.62 -3.69 2.53 0.24 -1.04 0.21 118.33 115.16 1dkn n VAL 32 Ca 0.05 -0.81 -0.11 0.00 -2.04 0.00 0.00 64.34 61.44 1dkn n VAL 32 Cb 0.41 0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 33.54 1dkn n VAL 32 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1dkn s THR 33 N -1.32 -0.10 -0.38 3.34 -1.32 -1.24 -4.16 115.64 110.45 1dkn s THR 33 Ca 0.38 0.11 0.27 0.00 -1.21 0.00 0.00 61.69 61.24 1dkn s THR 33 Cb 0.22 -0.58 0.31 0.00 -1.51 0.00 0.00 72.50 70.94 1dkn s THR 33 CO 0.30 0.05 1.78 1.55 -2.21 0.00 0.00 174.62 176.08 1dkn h PRO 34 N 7.28 0.00 -7.52 7.08 0.13 -1.74 -3.45 132.00 133.79 1dkn h PRO 34 Ca -0.34 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.31 1dkn h PRO 34 Cb 1.17 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.40 1dkn h PRO 34 CO 0.28 0.00 0.39 -0.51 -0.23 0.00 0.00 178.00 177.93 1dkn s ASP 35 N -5.10 4.78 -0.23 1.44 1.01 -1.26 -5.05 116.67 112.25 1dkn s ASP 35 Ca 0.06 1.02 -0.11 0.00 0.71 0.00 0.00 52.55 54.23 1dkn s ASP 35 Cb 0.09 -1.69 -0.05 0.00 1.01 0.00 0.00 42.92 42.29 1dkn s ASP 35 CO 0.54 -1.76 0.20 0.00 0.21 0.00 0.00 175.17 174.36 1dkn s ALA 36 N -3.39 3.61 0.15 5.23 0.00 -1.26 -5.00 121.76 121.09 1dkn s ALA 36 Ca 0.60 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 1dkn s ALA 36 Cb -0.12 -2.36 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 1dkn s ALA 36 CO 0.51 -0.19 1.42 -1.58 0.00 0.00 0.00 175.76 175.92 1dkn s TRP 37 N 1.05 3.19 0.25 0.00 0.52 -1.26 -4.96 118.94 117.73 1dkn s TRP 37 Ca 0.09 0.93 -0.30 0.00 0.02 0.00 0.00 56.10 56.85 1dkn s TRP 37 Cb -0.14 -3.73 -0.10 0.00 -1.15 0.00 0.00 33.47 28.36 1dkn s TRP 37 CO 0.05 -2.54 1.36 -1.25 0.02 0.00 0.00 176.95 174.59 1dkn s PRO 38 N 0.81 4.33 0.54 4.98 0.04 -1.26 -5.00 135.00 139.44 1dkn s PRO 38 Ca 0.64 2.20 -0.18 0.00 0.04 0.00 0.00 61.00 63.70 1dkn s PRO 38 Cb -0.39 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.96 1dkn s PRO 38 CO 0.33 -0.30 1.04 0.95 0.04 0.00 0.00 177.00 179.05 1dkn s THR 39 N -0.27 3.91 0.35 1.26 -4.23 -1.26 -5.08 115.64 110.32 1dkn s THR 39 Ca 0.56 1.02 0.08 0.00 -1.18 0.00 0.00 61.69 62.17 1dkn s THR 39 Cb -0.40 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1dkn s THR 39 CO 0.44 -0.42 0.28 0.26 -0.54 0.00 0.00 174.62 174.64 1dkn s TRP 40 N -2.28 2.85 0.07 3.99 0.52 -1.26 -5.06 118.94 117.76 1dkn s TRP 40 Ca 0.64 -0.34 -0.14 0.00 0.02 0.00 0.00 56.10 56.29 1dkn s TRP 40 Cb -0.15 -1.82 -0.24 0.00 -1.15 0.00 0.00 33.47 30.11 1dkn s TRP 40 CO 0.29 0.17 1.18 -1.00 0.02 0.00 0.00 176.95 177.61 1dkn h PRO 41 N 1.27 0.69 -6.31 4.98 0.13 -2.01 -3.47 132.00 127.28 1dkn h PRO 41 Ca -0.44 -0.76 -0.50 0.00 -0.87 0.00 0.00 66.00 63.43 1dkn h PRO 41 Cb 1.25 0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.60 1dkn h PRO 41 CO 0.59 1.33 -0.26 0.14 -0.23 0.00 0.00 178.00 179.58 1dkn s VAL 42 N -3.28 2.37 0.88 1.56 -7.23 -1.26 -5.10 120.40 108.34 1dkn s VAL 42 Ca -0.10 -1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 58.76 1dkn s VAL 42 Cb 0.07 -2.58 0.12 0.00 0.56 0.00 0.00 36.38 34.55 1dkn s VAL 42 CO 0.92 0.00 1.12 -0.54 -0.31 0.00 0.00 175.10 176.29 1dkn s LYS 43 N -4.36 1.33 0.48 4.82 1.02 -1.26 -4.88 119.74 116.89 1dkn s LYS 43 Ca 0.50 1.33 -0.24 0.00 0.02 0.00 0.00 55.97 57.59 1dkn s LYS 43 Cb -0.05 -1.78 -0.07 0.00 -0.52 0.00 0.00 37.83 35.41 1dkn s LYS 43 CO 0.31 -2.34 1.31 -0.51 -0.92 0.00 0.00 175.35 173.20 1dkn s LEU 44 N -6.39 4.02 0.00 3.17 1.43 -1.26 -2.44 118.68 117.21 1dkn s LEU 44 Ca 0.65 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 1dkn s LEU 44 Cb -0.21 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 41.90 1dkn s LEU 44 CO 0.58 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1dkn n GLY 45 N 0.63 0.26 3.81 -3.19 0.00 -0.21 -4.84 105.19 101.65 1dkn n GLY 45 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1dkn n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dkn s TRP 46 N -1.60 3.32 0.21 1.61 0.52 -1.02 -4.27 118.94 117.71 1dkn s TRP 46 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 56.10 56.01 1dkn s TRP 46 Cb 0.00 -1.71 -0.08 0.00 -1.15 0.00 0.00 33.47 30.53 1dkn s TRP 46 CO 0.00 0.56 1.20 -1.17 0.02 0.00 0.00 176.95 177.56 1dkn s LEU 47 N -2.10 4.46 0.17 2.99 2.96 -1.26 -2.36 118.68 123.53 1dkn s LEU 47 Ca 0.27 2.28 -0.08 0.00 -0.22 0.00 0.00 54.13 56.39 1dkn s LEU 47 Cb -0.12 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1dkn s LEU 47 CO 0.19 -0.36 0.45 0.42 -1.32 0.00 0.00 176.35 175.73 1dkn s THR 48 N -0.28 5.06 0.27 3.68 -4.23 -1.07 -4.91 115.64 114.16 1dkn s THR 48 Ca 0.52 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1dkn s THR 48 Cb -0.33 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.17 1dkn s THR 48 CO 0.38 0.03 1.66 1.55 -0.54 0.00 0.00 174.62 177.71 1dkn h PRO 49 N 2.85 0.22 -0.93 3.99 0.13 -1.96 1.44 132.00 137.74 1dkn h PRO 49 Ca -0.47 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1dkn h PRO 49 Cb 1.17 -0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 1dkn h PRO 49 CO 0.70 0.14 0.59 -0.09 -0.23 0.00 0.00 178.00 179.11 1dkn h ARG 50 N 0.22 1.03 -0.41 0.86 9.65 -1.94 0.32 114.38 124.11 1dkn h ARG 50 Ca 0.50 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.30 1dkn h ARG 50 Cb 0.94 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 1dkn h ARG 50 CO -0.61 0.68 0.20 0.78 2.80 0.00 0.00 179.97 183.82 1dkn h GLY 51 N 1.06 0.63 1.05 2.80 0.00 0.16 -0.31 103.07 108.46 1dkn h GLY 51 Ca 0.41 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1dkn h GLY 51 CO -0.18 0.30 0.34 -1.33 0.00 0.00 0.00 176.54 175.66 1dkn h GLY 52 N 0.53 1.30 0.88 4.60 0.00 0.85 -1.21 103.07 110.01 1dkn h GLY 52 Ca 0.14 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1dkn h GLY 52 CO -0.02 0.66 0.01 0.83 0.00 0.00 0.00 176.54 178.01 1dkn h GLU 53 N 1.18 0.02 -0.77 4.80 5.08 -0.06 0.12 114.58 124.95 1dkn h GLU 53 Ca 0.27 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.75 1dkn h GLU 53 Cb 0.20 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1dkn h GLU 53 CO -0.02 0.14 0.38 -0.07 -1.00 0.00 0.00 179.01 178.44 1dkn h LEU 54 N -0.11 0.48 -0.15 1.33 3.38 -0.81 0.23 115.31 119.66 1dkn h LEU 54 Ca 0.00 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1dkn h LEU 54 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1dkn h LEU 54 CO -0.00 0.24 0.03 0.40 0.09 0.00 0.00 178.44 179.20 1dkn h ILE 55 N 0.60 1.21 -0.75 1.22 1.08 -0.85 -2.55 117.51 117.47 1dkn h ILE 55 Ca 0.40 -0.66 0.13 0.00 -0.39 0.00 0.00 64.86 64.34 1dkn h ILE 55 Cb 0.50 1.35 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 1dkn h ILE 55 CO -0.32 0.20 0.50 0.00 -0.69 0.00 0.00 178.15 177.84 1dkn h ALA 56 N 0.83 2.02 -0.37 1.87 0.00 0.46 0.42 119.26 124.49 1dkn h ALA 56 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dkn h ALA 56 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1dkn h ALA 56 CO 0.00 -0.21 0.24 1.88 0.00 0.00 0.00 179.25 181.16 1dkn h TYR 57 N 0.49 0.46 -0.54 0.00 0.05 -0.19 0.63 116.97 117.88 1dkn h TYR 57 Ca 0.36 0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.18 1dkn h TYR 57 Cb 0.74 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 1dkn h TYR 57 CO -0.00 0.30 0.36 -0.07 -1.05 0.00 0.00 178.16 177.69 1dkn h LEU 58 N 0.50 0.53 -0.14 3.88 3.38 -0.73 -1.46 115.31 121.26 1dkn h LEU 58 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1dkn h LEU 58 Cb -0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1dkn h LEU 58 CO -0.03 0.37 -0.02 1.23 0.09 0.00 0.00 178.44 180.08 1dkn h GLY 59 N 0.62 0.29 0.11 0.83 0.00 -0.31 -0.94 103.07 103.67 1dkn h GLY 59 Ca 0.21 -0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.38 1dkn h GLY 59 CO -0.06 0.21 -0.24 0.84 0.00 0.00 0.00 176.54 177.30 1dkn h HIS 60 N -0.02 -0.64 -0.15 5.60 -0.00 -0.07 -1.18 115.15 118.69 1dkn h HIS 60 Ca 0.04 0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1dkn h HIS 60 Cb 0.44 0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 28.12 1dkn h HIS 60 CO 0.05 -0.32 -0.16 -0.92 -0.00 0.00 0.00 177.93 176.58 1dkn h TYR 61 N -0.24 -0.40 -0.39 5.26 3.20 -1.22 -1.89 116.97 121.30 1dkn h TYR 61 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1dkn h TYR 61 Cb 0.46 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1dkn h TYR 61 CO -0.41 -0.23 0.25 1.96 -1.64 0.00 0.00 178.16 178.09 1dkn h GLN 62 N -0.19 0.51 0.03 1.82 1.08 -0.65 0.20 115.11 117.93 1dkn h GLN 62 Ca 0.10 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1dkn h GLN 62 Cb 0.33 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1dkn h GLN 62 CO -0.26 0.35 -0.02 -0.09 -0.95 0.00 0.00 178.83 177.87 1dkn h ARG 63 N 0.53 -0.04 -0.23 1.46 9.65 -0.71 0.22 114.38 125.26 1dkn h ARG 63 Ca 0.14 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1dkn h ARG 63 Cb -0.04 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1dkn h ARG 63 CO -0.03 0.12 0.07 1.96 2.80 0.00 0.00 179.97 184.89 1dkn h GLN 64 N -0.20 0.17 -0.55 0.20 4.20 -0.47 -0.46 115.11 117.99 1dkn h GLN 64 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1dkn h GLN 64 Cb 0.18 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1dkn h GLN 64 CO 0.01 0.11 0.29 -0.09 -0.67 0.00 0.00 178.83 178.48 1dkn h ARG 65 N 0.18 0.78 -0.09 1.46 2.43 -0.53 -1.01 114.38 117.59 1dkn h ARG 65 Ca 0.10 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1dkn h ARG 65 Cb 0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1dkn h ARG 65 CO -0.11 0.62 -0.43 -0.07 -1.51 0.00 0.00 179.97 178.47 1dkn h LEU 66 N 0.74 0.21 0.02 3.80 -0.00 -0.30 -1.80 115.31 117.98 1dkn h LEU 66 Ca 0.19 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1dkn h LEU 66 Cb 0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1dkn h LEU 66 CO -0.03 0.62 -0.01 0.58 -0.00 0.00 0.00 178.44 179.60 1dkn h VAL 67 N 0.17 1.24 -0.55 1.22 2.07 -0.80 0.74 116.25 120.34 1dkn h VAL 67 Ca 0.01 -0.83 0.16 0.00 0.82 0.00 0.00 66.70 66.87 1dkn h VAL 67 Cb 0.84 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1dkn h VAL 67 CO 0.07 0.21 0.40 0.00 0.02 0.00 0.00 177.57 178.26 1dkn h ALA 68 N 0.58 2.51 -0.01 1.67 0.00 -1.04 0.84 119.26 123.81 1dkn h ALA 68 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dkn h ALA 68 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1dkn h ALA 68 CO 0.00 -0.68 -0.14 -0.25 0.00 0.00 0.00 179.25 178.19 1dkn n ASP 69 N -4.36 1.29 -0.47 0.00 8.00 -0.69 -4.96 116.55 115.36 1dkn n ASP 69 Ca 0.10 -1.19 -0.06 0.00 0.71 0.00 0.00 54.79 54.35 1dkn n ASP 69 Cb 0.63 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.78 1dkn n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dkn n GLY 70 N 1.27 0.80 0.07 0.44 0.00 0.29 -4.57 105.19 103.49 1dkn n GLY 70 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1dkn n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dkn h LEU 71 N 0.00 0.00 -8.65 0.99 5.85 -1.43 -3.46 115.31 108.61 1dkn h LEU 71 Ca -0.13 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 57.90 1dkn h LEU 71 Cb 0.62 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.36 1dkn h LEU 71 CO 0.19 0.97 -0.88 -0.76 -0.34 0.00 0.00 178.44 177.61 1dkn s LEU 72 N -6.34 2.10 0.54 2.25 1.02 -1.20 -5.02 118.68 112.02 1dkn s LEU 72 Ca -0.02 -0.51 -0.21 0.00 0.02 0.00 0.00 54.13 53.41 1dkn s LEU 72 Cb 0.09 -1.29 -0.05 0.00 0.02 0.00 0.00 46.19 44.95 1dkn s LEU 72 CO 0.82 0.29 1.26 0.00 0.02 0.00 0.00 176.35 178.74 1dkn s ALA 73 N -0.68 2.77 0.23 4.21 0.00 -1.26 -4.07 121.76 122.95 1dkn s ALA 73 Ca 0.10 1.13 0.19 0.00 0.00 0.00 0.00 51.96 53.38 1dkn s ALA 73 Cb -0.10 -3.48 0.78 0.00 0.00 0.00 0.00 23.12 20.32 1dkn s ALA 73 CO 0.00 -1.12 1.79 -0.22 0.00 0.00 0.00 175.76 176.21 1dkn h LYS 74 N 1.43 0.00 -5.39 0.00 3.64 -1.96 -3.46 116.57 110.83 1dkn h LYS 74 Ca -0.50 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.43 1dkn h LYS 74 Cb 1.29 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 1dkn h LYS 74 CO 0.57 0.35 -0.69 0.15 -2.27 0.00 0.00 179.45 177.56 1dkn s LYS 75 N -3.75 1.42 0.25 1.90 3.01 -1.26 -5.10 119.74 116.20 1dkn s LYS 75 Ca -0.01 -1.69 0.00 0.00 -1.01 0.00 0.00 55.97 53.26 1dkn s LYS 75 Cb 0.12 -0.99 0.00 0.00 -1.01 0.00 0.00 37.83 35.95 1dkn s LYS 75 CO 0.68 0.04 0.00 0.41 0.51 0.00 0.00 175.35 176.99 1dkn n GLY 76 N -0.47 -2.11 3.76 -3.33 0.00 -1.26 -4.84 105.19 96.94 1dkn n GLY 76 Ca -0.06 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 1dkn n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkn n PRO 78 N 1.01 0.33 -1.40 0.00 -0.04 -1.26 -4.91 135.00 128.74 1dkn n PRO 78 Ca -0.00 0.18 -0.35 0.00 -0.04 0.00 0.00 63.50 63.29 1dkn n PRO 78 Cb 0.45 -2.38 0.09 0.00 -0.04 0.00 0.00 33.50 31.62 1dkn n PRO 78 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1dkn n GLN 79 N -2.78 0.59 -1.69 0.54 6.02 -1.26 -4.87 117.38 113.93 1dkn n GLN 79 Ca 0.13 0.26 -0.44 0.00 -0.01 0.00 0.00 57.00 56.95 1dkn n GLN 79 Cb 0.50 -2.36 -0.04 0.00 1.02 0.00 0.00 30.24 29.36 1dkn n GLN 79 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1dkn n SER 80 N -2.14 3.52 -0.55 1.08 2.88 -1.26 -1.39 113.62 115.76 1dkn n SER 80 Ca 0.14 1.07 -0.06 0.00 -1.33 0.00 0.00 58.87 58.69 1dkn n SER 80 Cb 0.49 -1.49 -0.02 0.00 -0.75 0.00 0.00 64.21 62.44 1dkn n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dkn n GLY 81 N 3.69 0.68 0.11 0.46 0.00 -1.26 -4.90 105.19 103.97 1dkn n GLY 81 Ca 0.17 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1dkn n GLY 81 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1dkn n GLN 82 N -2.52 0.67 -4.29 1.61 7.27 -0.48 -4.61 117.38 115.03 1dkn n GLN 82 Ca -0.07 0.07 -0.31 0.00 0.07 0.00 0.00 57.00 56.77 1dkn n GLN 82 Cb 0.30 -1.54 -0.16 0.00 2.41 0.00 0.00 30.24 31.25 1dkn n GLN 82 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1dkn s VAL 83 N -2.51 1.80 -0.05 1.69 1.01 -1.26 -1.69 120.40 119.40 1dkn s VAL 83 Ca -0.20 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1dkn s VAL 83 Cb 0.07 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1dkn s VAL 83 CO 0.74 0.50 -0.17 0.00 0.00 0.00 0.00 175.10 176.17 1dkn s ALA 84 N 1.17 2.55 -0.11 5.51 0.00 -0.18 -4.98 121.76 125.72 1dkn s ALA 84 Ca -0.00 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1dkn s ALA 84 Cb -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.11 1dkn s ALA 84 CO -0.07 0.54 -0.14 0.42 0.00 0.00 0.00 175.76 176.51 1dkn s ILE 85 N -0.67 1.43 -0.00 0.00 1.01 -1.26 -0.82 121.20 120.88 1dkn s ILE 85 Ca 0.10 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.25 1dkn s ILE 85 Cb -0.11 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1dkn s ILE 85 CO 0.00 0.43 -0.26 -0.63 0.00 0.00 0.00 174.94 174.48 1dkn s ILE 86 N 1.14 2.06 0.01 2.92 1.01 0.03 0.18 121.20 128.56 1dkn s ILE 86 Ca -0.04 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1dkn s ILE 86 Cb -0.14 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1dkn s ILE 86 CO -0.04 0.52 -0.03 0.00 0.00 0.00 0.00 174.94 175.39 1dkn s ALA 87 N -0.66 0.18 1.00 9.38 0.00 0.65 -0.38 121.76 131.92 1dkn s ALA 87 Ca 0.10 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 1dkn s ALA 87 Cb -0.10 0.06 0.19 0.00 0.00 0.00 0.00 23.12 23.27 1dkn s ALA 87 CO -0.00 -0.06 1.10 0.34 0.00 0.00 0.00 175.76 177.14 1dkn s ASP 88 N -0.88 2.30 0.43 0.00 -1.08 -1.02 -4.38 116.67 112.05 1dkn s ASP 88 Ca -0.08 1.95 0.30 0.00 -0.52 0.00 0.00 52.55 54.20 1dkn s ASP 88 Cb -0.06 -2.48 1.34 0.00 -1.46 0.00 0.00 42.92 40.26 1dkn s ASP 88 CO -0.00 -3.45 1.90 -0.37 0.52 0.00 0.00 175.17 173.76 1dkn h VAL 89 N -2.11 0.00 -4.15 1.11 -1.51 -1.91 -3.36 116.25 104.32 1dkn h VAL 89 Ca -0.49 -0.29 -0.54 0.00 -1.23 0.00 0.00 66.70 64.15 1dkn h VAL 89 Cb 1.29 1.14 0.18 0.00 -2.13 0.00 0.00 31.29 31.77 1dkn h VAL 89 CO 0.45 0.00 0.34 0.47 -1.23 0.00 0.00 177.57 177.59 1dkn n ASP 90 N -2.69 1.12 0.04 4.19 8.00 -1.26 -4.85 116.55 121.10 1dkn n ASP 90 Ca 0.00 0.62 -0.12 0.00 0.71 0.00 0.00 54.79 56.01 1dkn n ASP 90 Cb 0.22 -1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 39.74 1dkn n ASP 90 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1dkn h GLU 91 N -0.66 -0.02 -0.41 -1.24 4.22 -1.88 -1.95 114.58 112.63 1dkn h GLU 91 Ca -0.47 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.02 1dkn h GLU 91 Cb 1.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1dkn h GLU 91 CO 0.47 0.09 0.28 0.07 -2.18 0.00 0.00 179.01 177.73 1dkn h ARG 92 N -0.13 0.33 0.08 1.92 0.11 -1.93 -1.56 114.38 113.20 1dkn h ARG 92 Ca -0.00 -0.02 -0.28 0.00 0.10 0.00 0.00 59.98 59.77 1dkn h ARG 92 Cb 0.12 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 1dkn h ARG 92 CO 0.00 0.22 -1.43 1.79 0.10 0.00 0.00 179.97 180.65 1dkn h THR 93 N 0.34 1.24 -0.39 0.08 1.35 -1.82 -2.90 112.91 110.82 1dkn h THR 93 Ca 0.18 -2.92 -0.04 0.00 -0.55 0.00 0.00 66.41 63.08 1dkn h THR 93 Cb 0.28 2.74 -0.02 0.00 -1.73 0.00 0.00 68.15 69.42 1dkn h THR 93 CO -0.04 0.81 0.09 -0.09 -0.25 0.00 0.00 175.52 176.04 1dkn h ARG 94 N 0.05 0.62 0.00 4.72 2.43 -1.01 -2.21 114.38 118.98 1dkn h ARG 94 Ca -0.20 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 1dkn h ARG 94 Cb 1.96 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 1dkn h ARG 94 CO 0.15 0.65 -0.34 0.87 -1.51 0.00 0.00 179.97 179.79 1dkn h LYS 95 N 0.48 0.00 -0.12 0.20 1.79 -1.40 -2.01 116.57 115.52 1dkn h LYS 95 Ca 0.12 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 1dkn h LYS 95 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1dkn h LYS 95 CO 0.00 0.34 -0.47 1.15 -1.08 0.00 0.00 179.45 179.39 1dkn h THR 96 N 0.00 1.33 -0.24 -0.16 2.02 -1.29 0.22 112.91 114.79 1dkn h THR 96 Ca -0.00 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.48 1dkn h THR 96 Cb 0.82 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1dkn h THR 96 CO 0.04 0.50 0.02 1.23 0.37 0.00 0.00 175.52 177.68 1dkn h GLY 97 N 1.27 0.44 0.77 2.16 0.00 -0.75 -1.32 103.07 105.64 1dkn h GLY 97 Ca 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1dkn h GLY 97 CO 0.08 0.28 -0.03 0.83 0.00 0.00 0.00 176.54 177.70 1dkn h GLU 98 N 0.20 -0.07 -1.00 4.80 5.08 -1.13 -1.58 114.58 120.88 1dkn h GLU 98 Ca 0.07 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.61 1dkn h GLU 98 Cb 0.37 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 1dkn h GLU 98 CO 0.01 0.17 0.62 0.00 -1.00 0.00 0.00 179.01 178.80 1dkn h ALA 99 N 0.62 1.67 -0.13 3.43 0.00 -0.55 0.19 119.26 124.49 1dkn h ALA 99 Ca -0.01 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1dkn h ALA 99 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dkn h ALA 99 CO 0.01 -0.00 -0.66 0.35 0.00 0.00 0.00 179.25 178.95 1dkn h PHE 100 N 0.81 0.70 0.12 0.00 3.04 -1.03 -2.69 116.94 117.89 1dkn h PHE 100 Ca 0.55 -0.28 -0.01 0.00 3.98 0.00 0.00 57.97 62.21 1dkn h PHE 100 Cb 0.80 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1dkn h PHE 100 CO -0.00 1.04 -0.06 0.00 -2.02 0.00 0.00 178.31 177.27 1dkn h ALA 101 N 0.89 -0.17 -0.96 2.41 0.00 -0.16 -0.73 119.26 120.55 1dkn h ALA 101 Ca -0.02 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1dkn h ALA 101 Cb 1.24 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1dkn h ALA 101 CO 0.12 -0.44 0.61 0.00 0.00 0.00 0.00 179.25 179.55 1dkn h ALA 102 N 0.35 1.99 0.04 0.00 0.00 -0.71 0.41 119.26 121.33 1dkn h ALA 102 Ca -0.02 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1dkn h ALA 102 Cb 0.38 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1dkn h ALA 102 CO 0.03 -0.31 -1.23 0.78 0.00 0.00 0.00 179.25 178.52 1dkn h GLY 103 N 0.56 0.09 1.25 0.00 0.00 -1.35 -1.84 103.07 101.78 1dkn h GLY 103 Ca 0.52 -0.23 -0.25 0.00 0.00 0.00 0.00 47.33 47.37 1dkn h GLY 103 CO -0.26 0.20 -0.98 -2.00 0.00 0.00 0.00 176.54 173.50 1dkn h LEU 104 N 0.02 0.87 -5.58 3.11 5.85 0.26 -2.73 115.31 117.11 1dkn h LEU 104 Ca -0.11 -0.67 -0.38 0.00 0.84 0.00 0.00 57.88 57.56 1dkn h LEU 104 Cb 1.88 -0.27 -0.27 0.00 0.37 0.00 0.00 40.66 42.37 1dkn h LEU 104 CO 0.14 1.47 -0.78 0.00 -0.34 0.00 0.00 178.44 178.93 1dkn n ALA 105 N -2.63 0.52 -1.54 1.25 0.00 0.13 -4.78 120.51 113.46 1dkn n ALA 105 Ca -0.10 -2.27 -0.38 0.00 0.00 0.00 0.00 53.44 50.69 1dkn n ALA 105 Cb 0.85 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 19.25 1dkn n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dkn n PRO 106 N 2.10 0.72 -0.11 0.00 -0.04 -0.69 -1.52 135.00 135.47 1dkn n PRO 106 Ca 0.19 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1dkn n PRO 106 Cb 0.55 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1dkn n PRO 106 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1dkn n ASP 107 N -0.07 0.00 -4.82 3.54 10.43 -1.26 -4.93 116.55 119.44 1dkn n ASP 107 Ca 0.12 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.10 1dkn n ASP 107 Cb 0.47 -1.12 -0.06 0.00 1.84 0.00 0.00 41.12 42.25 1dkn n ASP 107 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dkn n ALA 109 N 1.55 5.21 -2.58 0.00 0.00 -1.26 -4.88 120.51 118.55 1dkn n ALA 109 Ca -0.09 -4.15 -0.41 0.00 0.00 0.00 0.00 53.44 48.79 1dkn n ALA 109 Cb 0.51 -3.20 -0.07 0.00 0.00 0.00 0.00 19.45 16.69 1dkn n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dkn s ILE 110 N 1.59 4.96 0.61 0.00 1.01 -1.26 -5.03 121.20 123.07 1dkn s ILE 110 Ca 0.43 0.61 -0.15 0.00 0.00 0.00 0.00 60.65 61.54 1dkn s ILE 110 Cb 0.10 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1dkn s ILE 110 CO -0.02 -0.20 1.07 0.42 0.00 0.00 0.00 174.94 176.20 1dkn s THR 111 N 2.55 3.72 -0.30 2.92 -4.23 -1.26 -4.98 115.64 114.06 1dkn s THR 111 Ca 0.23 0.80 -0.07 0.00 -1.18 0.00 0.00 61.69 61.46 1dkn s THR 111 Cb -0.15 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.37 1dkn s THR 111 CO 0.13 -0.50 0.08 -0.69 -0.54 0.00 0.00 174.62 173.10 1dkn s VAL 112 N -2.47 3.94 0.06 2.29 1.01 -1.26 -4.31 120.40 119.65 1dkn s VAL 112 Ca 0.64 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.68 1dkn s VAL 112 Cb -0.17 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1dkn s VAL 112 CO 0.39 0.06 0.61 -1.00 0.00 0.00 0.00 175.10 175.16 1dkn s HIS 113 N 1.49 3.77 0.28 5.22 3.76 0.13 -4.89 115.29 125.05 1dkn s HIS 113 Ca 0.02 1.30 0.04 0.00 -0.15 0.00 0.00 55.06 56.27 1dkn s HIS 113 Cb -0.17 -2.59 -0.03 0.00 1.11 0.00 0.00 32.58 30.90 1dkn s HIS 113 CO 0.02 0.48 0.21 0.95 -0.85 0.00 0.00 174.74 175.55 1dkn s THR 114 N -0.74 0.04 0.31 1.30 -4.23 -1.26 -0.25 115.64 110.80 1dkn s THR 114 Ca 0.31 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.53 1dkn s THR 114 Cb -0.20 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 1dkn s THR 114 CO 0.19 0.00 1.35 -1.58 -0.54 0.00 0.00 174.62 174.05 1dkn s GLN 115 N -3.76 4.32 0.23 3.99 0.74 -1.26 -4.89 119.66 119.02 1dkn s GLN 115 Ca 0.39 2.26 -0.07 0.00 0.05 0.00 0.00 55.36 57.99 1dkn s GLN 115 Cb 0.04 -3.08 0.31 0.00 1.10 0.00 0.00 33.01 31.39 1dkn s GLN 115 CO 0.21 -0.27 1.83 1.15 -0.55 0.00 0.00 175.29 177.65 1dkn h THR 116 N 3.18 0.99 -2.69 -0.34 2.02 -1.99 -3.33 112.91 110.75 1dkn h THR 116 Ca -0.48 -0.29 -0.62 0.00 0.77 0.00 0.00 66.41 65.79 1dkn h THR 116 Cb 1.22 0.08 -0.14 0.00 -1.74 0.00 0.00 68.15 67.58 1dkn h THR 116 CO 0.69 0.15 0.58 -0.62 0.37 0.00 0.00 175.52 176.69 1dkn s ASP 117 N -5.67 6.19 0.11 4.18 -1.08 -1.26 -4.86 116.67 114.27 1dkn s ASP 117 Ca -0.13 -0.89 0.27 0.00 -0.52 0.00 0.00 52.55 51.29 1dkn s ASP 117 Cb 0.18 -2.43 0.96 0.00 -1.46 0.00 0.00 42.92 40.17 1dkn s ASP 117 CO 0.78 -1.45 1.81 0.41 0.52 0.00 0.00 175.17 177.24 1dkn n THR 118 N 5.98 0.31 1.49 1.71 -1.04 -1.25 -3.40 114.28 118.08 1dkn n THR 118 Ca -0.03 -0.15 0.14 0.00 -2.04 0.00 0.00 64.05 61.97 1dkn n THR 118 Cb 0.46 -0.50 0.55 0.00 -1.82 0.00 0.00 70.33 69.02 1dkn n THR 118 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1dkn n SER 119 N -1.91 1.12 -4.33 8.00 3.41 -1.26 -4.86 113.62 113.80 1dkn n SER 119 Ca 0.06 -1.22 -0.25 0.00 -0.26 0.00 0.00 58.87 57.20 1dkn n SER 119 Cb 0.39 0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.23 1dkn n SER 119 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1dkn s SER 120 N -2.15 2.82 0.72 4.04 0.15 -1.22 -5.13 113.70 112.93 1dkn s SER 120 Ca 0.35 -0.72 -0.16 0.00 0.70 0.00 0.00 55.95 56.12 1dkn s SER 120 Cb 0.21 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1dkn s SER 120 CO 0.39 0.09 1.25 -2.84 1.20 0.00 0.00 173.24 173.33 1dkn s PRO 121 N -2.03 2.15 -0.36 5.44 0.02 -1.26 -4.90 135.00 134.06 1dkn s PRO 121 Ca 0.10 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 62.90 1dkn s PRO 121 Cb -0.10 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1dkn s PRO 121 CO 0.05 -1.86 0.23 0.34 -0.33 0.00 0.00 177.00 175.43 1dkn s ASP 122 N -1.78 5.90 0.60 2.53 3.68 -1.26 -4.96 116.67 121.38 1dkn s ASP 122 Ca 0.78 -0.67 0.29 0.00 2.13 0.00 0.00 52.55 55.08 1dkn s ASP 122 Cb -0.33 -2.09 1.60 0.00 -1.45 0.00 0.00 42.92 40.65 1dkn s ASP 122 CO 0.44 -0.31 2.00 1.55 0.13 0.00 0.00 175.17 178.99 1dkn h PRO 123 N 8.48 0.00 -0.77 4.34 0.13 -1.94 -1.04 132.00 141.20 1dkn h PRO 123 Ca -0.29 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.92 1dkn h PRO 123 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1dkn h PRO 123 CO 0.66 0.00 0.51 1.25 -0.23 0.00 0.00 178.00 180.19 1dkn h LEU 124 N 0.00 0.67 -1.37 1.56 5.85 -1.97 -1.25 115.31 118.80 1dkn h LEU 124 Ca 0.12 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1dkn h LEU 124 Cb 0.78 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1dkn h LEU 124 CO -0.00 0.41 0.00 0.49 -0.34 0.00 0.00 178.44 179.00 1dkn n PHE 125 N -4.50 0.28 0.00 1.25 3.01 -0.40 -4.22 117.46 112.89 1dkn n PHE 125 Ca 0.12 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1dkn n PHE 125 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1dkn n PHE 125 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1dkn n ASN 126 N 0.58 0.00 0.14 4.37 5.15 -0.54 -4.88 115.26 120.09 1dkn n ASN 126 Ca 0.17 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.27 1dkn n ASN 126 Cb 0.39 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 40.14 1dkn n ASN 126 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1dkn h PRO 127 N 0.00 0.00 0.43 1.20 0.13 -1.63 -3.29 132.00 128.84 1dkn h PRO 127 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1dkn h PRO 127 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1dkn h PRO 127 CO 0.00 0.00 -0.21 -0.07 -0.23 0.00 0.00 178.00 177.49 1dkn h LEU 128 N 0.00 -0.49 -1.88 1.56 3.38 -1.88 0.21 115.31 116.21 1dkn h LEU 128 Ca 0.00 0.02 0.32 0.00 0.09 0.00 0.00 57.88 58.31 1dkn h LEU 128 Cb 0.38 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1dkn h LEU 128 CO 0.00 -0.08 0.79 0.50 0.09 0.00 0.00 178.44 179.74 1dkn h LYS 129 N -1.12 0.07 -0.58 1.13 3.64 -1.67 0.44 116.57 118.48 1dkn h LYS 129 Ca -0.06 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1dkn h LYS 129 Cb 0.44 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1dkn h LYS 129 CO 0.10 0.05 0.06 0.25 -2.27 0.00 0.00 179.45 177.63 1dkn n THR 130 N -4.28 2.77 -1.33 1.00 -2.24 -1.25 -4.95 114.28 104.00 1dkn n THR 130 Ca 0.25 -1.52 -0.11 0.00 -2.27 0.00 0.00 64.05 60.39 1dkn n THR 130 Cb 1.14 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 1dkn n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkn n GLY 131 N 0.33 1.15 0.27 3.38 0.00 0.16 -4.85 105.19 105.62 1dkn n GLY 131 Ca 0.30 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.27 1dkn n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dkn h VAL 132 N 0.00 1.12 -2.99 1.61 2.07 -0.76 -3.45 116.25 113.85 1dkn h VAL 132 Ca -0.24 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 66.88 1dkn h VAL 132 Cb 1.08 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1dkn h VAL 132 CO 0.34 0.16 0.23 0.00 0.02 0.00 0.00 177.57 178.32 1dkn s GLN 134 N -3.88 1.66 -0.01 0.00 -0.21 -1.26 -4.27 119.66 111.70 1dkn s GLN 134 Ca 0.09 -1.87 -0.05 0.00 0.02 0.00 0.00 55.36 53.55 1dkn s GLN 134 Cb -0.05 -1.29 -0.04 0.00 1.00 0.00 0.00 33.01 32.63 1dkn s GLN 134 CO 0.03 0.02 0.22 -0.51 -2.12 0.00 0.00 175.29 172.93 1dkn s LEU 135 N -3.51 4.37 -0.60 2.90 1.43 0.11 -5.02 118.68 118.36 1dkn s LEU 135 Ca 0.32 0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 53.61 1dkn s LEU 135 Cb 0.05 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1dkn s LEU 135 CO 0.14 0.27 1.10 -0.62 0.23 0.00 0.00 176.35 177.47 1dkn s ASP 136 N -1.75 6.35 0.11 2.29 3.68 -1.26 -4.57 116.67 121.51 1dkn s ASP 136 Ca 0.26 -0.21 -0.29 0.00 2.13 0.00 0.00 52.55 54.45 1dkn s ASP 136 Cb -0.13 -2.51 -0.10 0.00 -1.45 0.00 0.00 42.92 38.73 1dkn s ASP 136 CO 0.16 -1.45 1.48 -1.13 0.13 0.00 0.00 175.17 174.37 1dkn h ASN 137 N 9.54 -1.60 -0.40 -0.34 -0.73 -1.93 -0.36 115.58 119.75 1dkn h ASN 137 Ca -0.26 0.20 0.06 0.00 1.87 0.00 0.00 56.30 58.17 1dkn h ASN 137 Cb 1.06 0.65 -0.05 0.00 0.27 0.00 0.00 38.32 40.25 1dkn h ASN 137 CO 1.17 -0.38 0.09 0.00 -0.37 0.00 0.00 177.43 177.94 1dkn h ALA 138 N -0.28 0.44 -0.77 1.57 0.00 -1.97 0.25 119.26 118.50 1dkn h ALA 138 Ca 0.05 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1dkn h ALA 138 Cb 0.55 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1dkn h ALA 138 CO -0.48 -0.30 0.30 -0.97 0.00 0.00 0.00 179.25 177.80 1dkn h ASN 139 N 0.23 1.06 0.03 0.00 -0.00 -1.93 -1.56 115.58 113.42 1dkn h ASN 139 Ca 0.19 -0.16 -0.17 0.00 -0.00 0.00 0.00 56.30 56.15 1dkn h ASN 139 Cb 0.21 -0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.25 1dkn h ASN 139 CO -0.23 0.94 -0.60 0.58 -0.00 0.00 0.00 177.43 178.12 1dkn h VAL 140 N 1.12 1.32 -0.64 2.57 2.07 -0.61 -1.27 116.25 120.82 1dkn h VAL 140 Ca 0.26 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 1dkn h VAL 140 Cb 0.22 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1dkn h VAL 140 CO -0.02 0.58 0.21 0.74 0.02 0.00 0.00 177.57 179.10 1dkn h THR 141 N 0.43 1.25 -0.04 2.57 2.02 -0.23 -1.56 112.91 117.35 1dkn h THR 141 Ca -0.00 -0.84 -0.18 0.00 0.77 0.00 0.00 66.41 66.15 1dkn h THR 141 Cb 1.15 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1dkn h THR 141 CO 0.11 0.32 -0.78 -0.78 0.37 0.00 0.00 175.52 174.77 1dkn h ASP 142 N 0.93 0.35 -0.05 4.18 1.82 -1.23 -2.35 116.42 120.07 1dkn h ASP 142 Ca 0.21 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1dkn h ASP 142 Cb 0.28 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 1dkn h ASP 142 CO -0.01 1.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.62 1dkn h ALA 143 N 0.99 0.06 -0.29 -0.78 0.00 -1.06 -0.02 119.26 118.16 1dkn h ALA 143 Ca -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1dkn h ALA 143 Cb 1.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1dkn h ALA 143 CO 0.12 -0.27 0.12 0.82 0.00 0.00 0.00 179.25 180.04 1dkn h ILE 144 N -0.20 1.18 -0.50 0.00 2.04 -1.33 -0.89 117.51 117.79 1dkn h ILE 144 Ca 0.01 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 1dkn h ILE 144 Cb 0.32 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1dkn h ILE 144 CO 0.00 0.18 0.02 -0.07 0.00 0.00 0.00 178.15 178.28 1dkn h LEU 145 N 0.31 0.79 -0.63 1.44 4.07 -1.47 -1.30 115.31 118.54 1dkn h LEU 145 Ca 0.10 -0.19 0.01 0.00 0.08 0.00 0.00 57.88 57.88 1dkn h LEU 145 Cb 0.18 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 1dkn h LEU 145 CO -0.01 0.85 0.41 -1.28 -1.08 0.00 0.00 178.44 177.33 1dkn h SER 146 N 0.77 0.69 0.53 -0.43 0.87 -0.66 0.16 113.55 115.49 1dkn h SER 146 Ca 0.15 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1dkn h SER 146 Cb 0.44 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1dkn h SER 146 CO 0.02 0.50 -0.19 0.03 -0.53 0.00 0.00 176.83 176.66 1dkn h ARG 147 N 0.82 0.00 -0.19 2.24 2.47 -0.54 -2.54 114.38 116.63 1dkn h ARG 147 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1dkn h ARG 147 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1dkn h ARG 147 CO -0.07 0.19 0.00 0.00 0.56 0.00 0.00 179.97 180.65 1dkn n ALA 148 N -2.29 2.47 -1.81 0.04 0.00 -0.35 -4.86 120.51 113.71 1dkn n ALA 148 Ca -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 1dkn n ALA 148 Cb 0.32 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 1dkn n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dkn n GLY 149 N 0.83 0.36 0.22 0.00 0.00 -0.96 -3.60 105.19 102.04 1dkn n GLY 149 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1dkn n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkn n GLY 150 N -1.40 3.04 3.51 -0.02 0.00 0.42 -4.94 105.19 105.80 1dkn n GLY 150 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1dkn n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dkn s SER 151 N 0.69 -0.63 0.40 1.61 1.04 -1.24 -4.86 113.70 110.73 1dkn s SER 151 Ca 0.00 0.83 0.08 0.00 0.48 0.00 0.00 55.95 57.34 1dkn s SER 151 Cb 0.00 0.74 0.84 0.00 0.10 0.00 0.00 66.02 67.70 1dkn s SER 151 CO 0.00 -0.50 1.99 0.40 0.98 0.00 0.00 173.24 176.12 1dkn h ILE 152 N 3.36 1.13 -0.77 -1.02 1.08 -1.90 -1.95 117.51 117.44 1dkn h ILE 152 Ca -0.28 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1dkn h ILE 152 Cb 1.15 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 35.72 1dkn h ILE 152 CO 0.31 0.16 0.41 0.00 -0.69 0.00 0.00 178.15 178.34 1dkn h ALA 153 N 1.70 0.99 -0.29 1.87 0.00 -1.92 0.88 119.26 122.48 1dkn h ALA 153 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1dkn h ALA 153 Cb 0.15 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1dkn h ALA 153 CO -0.00 0.51 -0.51 0.22 0.00 0.00 0.00 179.25 179.47 1dkn h ASP 154 N 1.07 0.92 0.26 0.00 1.82 -1.73 0.49 116.42 119.25 1dkn h ASP 154 Ca 0.27 -0.47 0.01 0.00 -0.39 0.00 0.00 57.03 56.44 1dkn h ASP 154 Cb 0.05 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.77 1dkn h ASP 154 CO -0.04 1.26 -0.35 0.15 -1.61 0.00 0.00 179.24 178.64 1dkn h PHE 155 N 0.65 -0.96 -0.56 0.28 3.57 -0.73 -0.62 116.94 118.58 1dkn h PHE 155 Ca 0.02 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 1dkn h PHE 155 Cb 1.10 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 1dkn h PHE 155 CO 0.06 -0.48 -0.03 1.79 -2.23 0.00 0.00 178.31 177.42 1dkn h THR 156 N -0.67 1.26 -0.63 4.41 1.35 -0.84 -2.47 112.91 115.32 1dkn h THR 156 Ca -0.00 -1.16 0.18 0.00 -0.55 0.00 0.00 66.41 64.88 1dkn h THR 156 Cb 0.64 0.87 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 1dkn h THR 156 CO -0.12 0.41 0.47 1.23 -0.25 0.00 0.00 175.52 177.26 1dkn h GLY 157 N 0.98 0.00 0.87 5.82 0.00 0.60 0.24 103.07 111.59 1dkn h GLY 157 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1dkn h GLY 157 CO 0.03 0.00 -0.24 1.42 0.00 0.00 0.00 176.54 177.75 1dkn n HIS 158 N -4.28 0.00 -0.99 5.60 -0.00 -0.29 -3.87 115.22 111.38 1dkn n HIS 158 Ca 0.12 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.94 1dkn n HIS 158 Cb 0.72 -0.22 0.13 0.00 -0.00 0.00 0.00 29.99 30.62 1dkn n HIS 158 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1dkn n ARG 159 N -1.08 1.43 -0.16 -0.41 1.74 0.80 -4.71 116.66 114.27 1dkn n ARG 159 Ca 0.11 -2.51 0.09 0.00 -0.77 0.00 0.00 57.85 54.77 1dkn n ARG 159 Cb 0.32 -1.47 0.40 0.00 -1.02 0.00 0.00 32.46 30.69 1dkn n ARG 159 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1dkn h GLN 160 N 0.03 0.62 -0.54 5.56 1.08 -1.54 -0.26 115.11 120.06 1dkn h GLN 160 Ca 0.00 -0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.25 1dkn h GLN 160 Cb 0.97 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 28.19 1dkn h GLN 160 CO 0.00 0.41 0.15 1.15 -0.95 0.00 0.00 178.83 179.59 1dkn h THR 161 N 0.64 0.73 -0.33 -0.54 2.02 -1.90 0.53 112.91 114.07 1dkn h THR 161 Ca 0.31 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.32 1dkn h THR 161 Cb 0.39 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1dkn h THR 161 CO -0.11 0.05 -0.08 0.00 0.37 0.00 0.00 175.52 175.76 1dkn h ALA 162 N 1.40 0.45 -0.78 6.16 0.00 -1.37 -1.71 119.26 123.41 1dkn h ALA 162 Ca 0.27 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dkn h ALA 162 Cb 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1dkn h ALA 162 CO -0.32 0.28 0.52 0.74 0.00 0.00 0.00 179.25 180.47 1dkn h PHE 163 N 0.41 0.97 -0.25 0.00 0.04 -0.38 -0.85 116.94 116.88 1dkn h PHE 163 Ca 0.08 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.73 1dkn h PHE 163 Cb 0.57 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1dkn h PHE 163 CO 0.05 0.60 -0.43 0.00 -0.60 0.00 0.00 178.31 177.93 1dkn h ARG 164 N 1.03 0.62 -0.64 1.51 3.08 0.18 -0.99 114.38 119.18 1dkn h ARG 164 Ca 0.29 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1dkn h ARG 164 Cb -0.08 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1dkn h ARG 164 CO -0.07 0.93 0.29 1.49 -1.07 0.00 0.00 179.97 181.54 1dkn h GLU 165 N 0.50 0.93 0.16 0.04 4.57 -0.45 -0.45 114.58 119.87 1dkn h GLU 165 Ca 0.04 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1dkn h GLU 165 Cb 0.95 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1dkn h GLU 165 CO 0.09 0.76 -0.07 1.25 -1.18 0.00 0.00 179.01 179.85 1dkn h LEU 166 N 0.89 -0.18 -1.51 1.64 5.85 -0.97 -1.46 115.31 119.57 1dkn h LEU 166 Ca 0.22 -0.06 0.20 0.00 0.84 0.00 0.00 57.88 59.07 1dkn h LEU 166 Cb 0.15 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1dkn h LEU 166 CO -0.02 -0.05 0.59 -0.33 -0.34 0.00 0.00 178.44 178.28 1dkn h GLU 167 N -0.29 0.40 -0.16 1.25 5.08 -0.90 0.53 114.58 120.49 1dkn h GLU 167 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1dkn h GLU 167 Cb 0.23 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1dkn h GLU 167 CO 0.04 0.27 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.21 1dkn h ARG 168 N 0.42 0.29 -0.63 2.33 1.12 -0.46 0.56 114.38 118.00 1dkn h ARG 168 Ca 0.46 -0.10 -0.03 0.00 -1.11 0.00 0.00 59.98 59.20 1dkn h ARG 168 Cb 1.12 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.03 1dkn h ARG 168 CO -0.17 0.53 0.27 0.28 -3.11 0.00 0.00 179.97 177.77 1dkn h VAL 169 N 0.01 1.22 0.00 0.20 2.07 0.07 -2.38 116.25 117.44 1dkn h VAL 169 Ca 0.04 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1dkn h VAL 169 Cb 0.41 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1dkn h VAL 169 CO 0.01 0.27 -0.21 0.18 0.02 0.00 0.00 177.57 177.84 1dkn n LEU 170 N -4.32 0.51 -3.71 2.57 4.77 -0.26 -4.87 117.00 111.68 1dkn n LEU 170 Ca 0.06 0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 56.18 1dkn n LEU 170 Cb 0.16 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1dkn n LEU 170 CO 0.39 -0.06 0.10 -3.20 -1.33 0.00 0.00 177.39 173.29 1dkn n ASN 171 N -1.89 -3.83 -0.30 -1.43 5.15 -0.08 -4.07 115.26 108.80 1dkn n ASN 171 Ca 0.05 -0.71 0.20 0.00 -0.60 0.00 0.00 54.58 53.53 1dkn n ASN 171 Cb 0.39 -4.39 0.48 0.00 -0.53 0.00 0.00 39.78 35.73 1dkn n ASN 171 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1dkn h PHE 172 N -2.16 0.68 -0.76 1.20 3.57 -1.14 -2.12 116.94 116.21 1dkn h PHE 172 Ca -0.59 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.05 1dkn h PHE 172 Cb 1.36 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 1dkn h PHE 172 CO 0.51 0.12 0.50 -1.00 -2.23 0.00 0.00 178.31 176.20 1dkn h PRO 173 N 0.45 0.58 -0.95 6.41 0.13 -1.89 -0.62 132.00 136.12 1dkn h PRO 173 Ca 0.55 -0.04 -0.61 0.00 -0.87 0.00 0.00 66.00 65.03 1dkn h PRO 173 Cb 1.31 -0.13 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 1dkn h PRO 173 CO -0.27 0.39 0.65 1.04 -0.23 0.00 0.00 178.00 179.58 1dkn n GLN 174 N -4.50 2.64 -3.35 0.86 1.13 -0.80 -4.46 117.38 108.90 1dkn n GLN 174 Ca 0.13 -3.30 -0.21 0.00 -1.94 0.00 0.00 57.00 51.68 1dkn n GLN 174 Cb 0.39 -2.25 -0.00 0.00 0.11 0.00 0.00 30.24 28.49 1dkn n GLN 174 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1dkn s SER 175 N -1.91 5.99 0.19 1.08 1.04 -0.24 -4.23 113.70 115.63 1dkn s SER 175 Ca 0.61 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 57.03 1dkn s SER 175 Cb 0.49 -1.48 0.10 0.00 0.10 0.00 0.00 66.02 65.23 1dkn s SER 175 CO 0.02 -0.47 1.66 -1.13 0.98 0.00 0.00 173.24 174.29 1dkn h ASN 176 N 0.74 1.02 -0.80 7.02 -0.73 -1.77 0.40 115.58 121.47 1dkn h ASN 176 Ca -0.47 -0.29 -0.02 0.00 1.87 0.00 0.00 56.30 57.39 1dkn h ASN 176 Cb 1.25 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 39.53 1dkn h ASN 176 CO 0.56 1.07 0.41 0.25 -0.37 0.00 0.00 177.43 179.35 1dkn h LEU 177 N 0.95 1.02 -0.02 0.34 5.85 -0.59 -0.11 115.31 122.75 1dkn h LEU 177 Ca 0.17 -0.12 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 1dkn h LEU 177 Cb 0.55 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1dkn h LEU 177 CO 0.03 0.85 -0.70 0.00 -0.34 0.00 0.00 178.44 178.28 1dkn h LEU 179 N 0.08 0.67 -1.60 0.00 3.38 0.01 -2.00 115.31 115.85 1dkn h LEU 179 Ca -0.08 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1dkn h LEU 179 Cb 1.38 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1dkn h LEU 179 CO 0.14 0.60 0.00 0.29 0.09 0.00 0.00 178.44 179.56 1dkn n LYS 180 N -4.61 1.96 -1.68 1.13 4.76 -0.07 -4.90 118.16 114.76 1dkn n LYS 180 Ca 0.02 -0.79 -0.47 0.00 -2.87 0.00 0.00 58.31 54.20 1dkn n LYS 180 Cb 0.11 -1.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.59 1dkn n LYS 180 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1dkn n ARG 181 N 0.15 2.20 0.16 1.97 0.63 -0.75 -4.85 116.66 116.17 1dkn n ARG 181 Ca 0.07 0.80 0.13 0.00 -0.92 0.00 0.00 57.85 57.93 1dkn n ARG 181 Cb 0.47 -2.63 0.35 0.00 0.45 0.00 0.00 32.46 31.10 1dkn n ARG 181 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1dkn h GLU 182 N 8.19 0.00 -1.78 -0.14 5.08 -1.89 -3.30 114.58 120.74 1dkn h GLU 182 Ca -0.47 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.29 1dkn h GLU 182 Cb 1.26 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 30.10 1dkn h GLU 182 CO 0.93 0.00 -0.68 0.36 -1.00 0.00 0.00 179.01 178.62 1dkn n LYS 183 N -2.64 3.37 0.00 2.33 -0.00 -1.26 -4.88 118.16 115.08 1dkn n LYS 183 Ca 0.04 -4.62 0.00 0.00 -0.00 0.00 0.00 58.31 53.73 1dkn n LYS 183 Cb 0.44 -2.25 0.00 0.00 -0.00 0.00 0.00 35.03 33.22 1dkn n LYS 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1dkn n GLN 184 N -0.40 0.21 0.03 -1.58 6.02 -1.24 -2.01 117.38 118.41 1dkn n GLN 184 Ca 0.37 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.30 1dkn n GLN 184 Cb 0.57 -1.07 -0.11 0.00 1.02 0.00 0.00 30.24 30.65 1dkn n GLN 184 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1dkn h ASP 185 N 0.54 0.00 -2.17 1.08 -0.00 -1.93 -3.46 116.42 110.47 1dkn h ASP 185 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 57.03 56.54 1dkn h ASP 185 Cb 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.37 1dkn h ASP 185 CO 0.00 0.88 -0.48 -1.61 -0.00 0.00 0.00 179.24 178.02 1dkn s GLU 186 N -2.73 3.12 0.68 0.28 2.02 -0.85 -5.10 118.70 116.12 1dkn s GLU 186 Ca -0.01 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 1dkn s GLU 186 Cb 0.09 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.63 1dkn s GLU 186 CO 0.81 0.40 1.06 0.45 0.02 0.00 0.00 175.26 178.00 1dkn s SER 187 N -3.91 5.34 0.14 -0.19 0.15 -1.26 -5.00 113.70 108.98 1dkn s SER 187 Ca 0.34 1.69 -0.30 0.00 0.70 0.00 0.00 55.95 58.38 1dkn s SER 187 Cb -0.08 -2.51 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 1dkn s SER 187 CO 0.27 -1.47 1.16 0.00 1.20 0.00 0.00 173.24 174.39 1dkn s SER 189 N 0.33 -0.84 0.16 0.00 1.04 -1.26 -4.99 113.70 108.14 1dkn s SER 189 Ca 0.53 1.36 -0.19 0.00 0.48 0.00 0.00 55.95 58.14 1dkn s SER 189 Cb -0.30 1.24 0.07 0.00 0.10 0.00 0.00 66.02 67.13 1dkn s SER 189 CO 0.34 -0.23 1.66 -0.07 0.98 0.00 0.00 173.24 175.91 1dkn h LEU 190 N 6.99 -0.50 -2.16 2.42 3.38 -1.96 0.76 115.31 124.24 1dkn h LEU 190 Ca -0.32 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1dkn h LEU 190 Cb 1.22 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1dkn h LEU 190 CO 0.19 -0.18 -0.03 0.71 0.09 0.00 0.00 178.44 179.22 1dkn h THR 191 N -0.08 0.76 0.10 0.22 1.35 -1.95 -0.51 112.91 112.80 1dkn h THR 191 Ca 0.17 -0.12 -0.26 0.00 -0.55 0.00 0.00 66.41 65.65 1dkn h THR 191 Cb 0.35 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1dkn h THR 191 CO -0.40 0.03 -1.34 -0.61 -0.25 0.00 0.00 175.52 172.95 1dkn h GLN 192 N 0.00 0.21 -0.31 4.72 5.75 -1.70 -3.33 115.11 120.45 1dkn h GLN 192 Ca -0.00 -0.36 -0.09 0.00 -0.15 0.00 0.00 58.65 58.05 1dkn h GLN 192 Cb 0.07 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1dkn h GLN 192 CO 0.00 1.17 -0.20 0.00 -2.65 0.00 0.00 178.83 177.16 1dkn h ALA 193 N -0.08 1.09 -3.25 3.38 0.00 -0.72 -3.36 119.26 116.31 1dkn h ALA 193 Ca -0.30 -0.33 -0.63 0.00 0.00 0.00 0.00 54.91 53.66 1dkn h ALA 193 Cb 1.69 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 18.94 1dkn h ALA 193 CO 0.03 0.56 -0.65 -0.51 0.00 0.00 0.00 179.25 178.69 1dkn s LEU 194 N -8.79 4.02 0.23 0.00 1.43 -0.21 -5.07 118.68 110.28 1dkn s LEU 194 Ca -0.08 -3.05 -0.30 0.00 -1.03 0.00 0.00 54.13 49.67 1dkn s LEU 194 Cb 0.14 -1.51 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 1dkn s LEU 194 CO 0.80 -0.22 1.36 -2.16 0.23 0.00 0.00 176.35 176.36 1dkn s PRO 195 N -0.31 4.34 -0.34 1.29 0.04 -1.25 -2.31 135.00 136.44 1dkn s PRO 195 Ca 0.18 2.17 -0.19 0.00 0.04 0.00 0.00 61.00 63.21 1dkn s PRO 195 Cb -0.23 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 1dkn s PRO 195 CO -0.02 -0.31 0.57 -1.12 0.04 0.00 0.00 177.00 176.15 1dkn s SER 196 N 0.26 6.38 -0.05 6.66 0.01 -1.26 -3.95 113.70 121.75 1dkn s SER 196 Ca 0.57 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.92 1dkn s SER 196 Cb -0.39 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1dkn s SER 196 CO 0.42 -0.51 0.06 -1.61 0.41 0.00 0.00 173.24 172.01 1dkn s GLU 197 N 2.51 3.07 -0.19 12.44 2.02 -1.24 -4.86 118.70 132.45 1dkn s GLU 197 Ca 0.21 -0.42 -0.21 0.00 0.02 0.00 0.00 54.97 54.57 1dkn s GLU 197 Cb -0.15 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 1dkn s GLU 197 CO 0.13 0.68 0.65 -1.17 0.02 0.00 0.00 175.26 175.58 1dkn s LEU 198 N -1.34 4.16 -0.21 1.80 2.96 -1.26 -1.83 118.68 122.95 1dkn s LEU 198 Ca 0.18 0.88 -0.00 0.00 -0.22 0.00 0.00 54.13 54.97 1dkn s LEU 198 Cb -0.12 -2.93 0.02 0.00 0.50 0.00 0.00 46.19 43.66 1dkn s LEU 198 CO 0.08 -0.28 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.16 1dkn s LYS 199 N 1.88 2.95 -0.13 1.98 -0.14 0.28 -5.01 119.74 121.55 1dkn s LYS 199 Ca 0.30 -0.87 0.02 0.00 -1.36 0.00 0.00 55.97 54.06 1dkn s LYS 199 Cb -0.16 -2.74 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1dkn s LYS 199 CO 0.11 -0.28 -0.21 0.08 -0.76 0.00 0.00 175.35 174.29 1dkn s VAL 200 N 1.31 2.20 0.28 3.17 1.01 -1.26 -0.92 120.40 126.19 1dkn s VAL 200 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1dkn s VAL 200 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1dkn s VAL 200 CO -0.09 0.55 0.06 -1.54 0.00 0.00 0.00 175.10 174.08 1dkn n SER 201 N 3.89 1.66 0.08 3.32 3.41 0.48 -4.97 113.62 121.50 1dkn n SER 201 Ca -0.19 -2.38 -0.05 0.00 -0.26 0.00 0.00 58.87 55.98 1dkn n SER 201 Cb 0.52 0.52 0.12 0.00 -0.26 0.00 0.00 64.21 65.11 1dkn n SER 201 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dkn h ALA 202 N 1.35 0.84 -0.09 7.33 0.00 -1.99 -3.29 119.26 123.40 1dkn h ALA 202 Ca -0.22 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1dkn h ALA 202 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1dkn h ALA 202 CO 0.36 0.73 0.00 -0.40 0.00 0.00 0.00 179.25 179.94 1dkn n ASP 203 N -3.87 2.11 -3.48 0.00 3.85 -1.26 0.05 116.55 113.95 1dkn n ASP 203 Ca -0.02 -1.58 -0.15 0.00 -0.71 0.00 0.00 54.79 52.33 1dkn n ASP 203 Cb 0.62 -0.06 -0.04 0.00 -1.35 0.00 0.00 41.12 40.29 1dkn n ASP 203 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1dkn s ASN 204 N -0.88 -0.60 -0.04 -1.12 2.47 -1.24 -3.90 114.94 109.63 1dkn s ASN 204 Ca 0.14 0.33 0.01 0.00 0.42 0.00 0.00 52.86 53.76 1dkn s ASN 204 Cb 0.09 0.56 0.02 0.00 -1.45 0.00 0.00 41.25 40.48 1dkn s ASN 204 CO 0.13 -0.79 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.00 1dkn s VAL 205 N -2.52 0.42 0.06 -5.21 1.01 -1.26 -0.39 120.40 112.52 1dkn s VAL 205 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1dkn s VAL 205 Cb -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1dkn s VAL 205 CO -0.02 0.20 0.01 -0.94 0.00 0.00 0.00 175.10 174.35 1dkn s SER 206 N 0.92 0.42 -0.30 3.32 1.04 -0.10 -5.01 113.70 113.99 1dkn s SER 206 Ca -0.11 -0.97 -0.01 0.00 0.48 0.00 0.00 55.95 55.34 1dkn s SER 206 Cb -0.14 0.23 0.10 0.00 0.10 0.00 0.00 66.02 66.31 1dkn s SER 206 CO -0.00 -0.63 0.10 -0.22 0.98 0.00 0.00 173.24 173.47 1dkn s LEU 207 N -2.92 1.92 0.00 2.42 2.96 -1.26 -0.56 118.68 121.24 1dkn s LEU 207 Ca 0.08 -1.55 -0.17 0.00 -0.22 0.00 0.00 54.13 52.27 1dkn s LEU 207 Cb 0.07 -0.77 0.25 0.00 0.50 0.00 0.00 46.19 46.25 1dkn s LEU 207 CO -0.09 -0.42 0.97 0.35 -1.32 0.00 0.00 176.35 175.84 1dkn n THR 208 N 4.92 0.00 -3.66 3.68 -2.24 -0.76 -3.57 114.28 112.65 1dkn n THR 208 Ca -0.03 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1dkn n THR 208 Cb 0.42 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1dkn n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkn n GLY 209 N -3.59 -0.52 0.19 3.38 0.00 -1.25 -3.71 105.19 99.69 1dkn n GLY 209 Ca 0.13 -1.20 0.06 0.00 0.00 0.00 0.00 46.02 45.01 1dkn n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkn h ALA 210 N 0.00 1.00 -0.14 4.61 0.00 -1.71 -2.44 119.26 120.58 1dkn h ALA 210 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1dkn h ALA 210 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dkn h ALA 210 CO 0.00 0.44 0.08 0.28 0.00 0.00 0.00 179.25 180.05 1dkn h VAL 211 N 0.00 1.09 0.00 0.00 2.07 -1.86 0.05 116.25 117.61 1dkn h VAL 211 Ca -0.00 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 1dkn h VAL 211 Cb 0.88 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1dkn h VAL 211 CO 0.05 0.09 -0.82 0.77 0.02 0.00 0.00 177.57 177.67 1dkn h SER 212 N 0.13 0.00 -0.18 0.57 4.64 -1.60 -2.78 113.55 114.33 1dkn h SER 212 Ca 0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1dkn h SER 212 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1dkn h SER 212 CO -0.01 0.82 -0.33 0.25 -0.87 0.00 0.00 176.83 176.69 1dkn h LEU 213 N 0.00 0.61 -0.64 5.97 5.85 -1.33 -2.66 115.31 123.11 1dkn h LEU 213 Ca -0.01 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.10 1dkn h LEU 213 Cb 1.57 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1dkn h LEU 213 CO 0.11 1.03 0.11 0.00 -0.34 0.00 0.00 178.44 179.35 1dkn h ALA 214 N 0.59 0.85 -0.78 1.25 0.00 -1.05 0.15 119.26 120.28 1dkn h ALA 214 Ca 0.01 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1dkn h ALA 214 Cb 0.92 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1dkn h ALA 214 CO 0.07 0.60 0.46 1.03 0.00 0.00 0.00 179.25 181.41 1dkn h SER 215 N 0.97 0.70 -0.15 0.00 0.87 -1.50 0.15 113.55 114.59 1dkn h SER 215 Ca 0.20 0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 60.58 1dkn h SER 215 Cb 0.42 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1dkn h SER 215 CO 0.01 0.44 -0.67 -0.03 -0.53 0.00 0.00 176.83 176.05 1dkn h MET 216 N 0.83 0.72 -0.24 2.24 -1.53 -1.07 -2.66 114.93 113.22 1dkn h MET 216 Ca 0.35 -0.58 -0.05 0.00 -3.44 0.00 0.00 59.70 55.99 1dkn h MET 216 Cb 0.20 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 1dkn h MET 216 CO -0.19 1.19 -0.03 -0.07 0.14 0.00 0.00 176.91 177.96 1dkn h LEU 217 N 0.42 0.44 -0.65 3.39 4.07 -0.34 -2.05 115.31 120.60 1dkn h LEU 217 Ca -0.04 -0.34 -0.08 0.00 0.08 0.00 0.00 57.88 57.50 1dkn h LEU 217 Cb 1.31 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 1dkn h LEU 217 CO 0.14 0.67 0.10 0.71 -1.08 0.00 0.00 178.44 178.98 1dkn h THR 218 N 0.19 1.26 -0.64 0.22 1.35 -0.81 -2.23 112.91 112.26 1dkn h THR 218 Ca 0.06 -1.04 0.01 0.00 -0.55 0.00 0.00 66.41 64.89 1dkn h THR 218 Cb 0.46 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 1dkn h THR 218 CO 0.02 0.39 0.42 -0.08 -0.25 0.00 0.00 175.52 176.02 1dkn h GLU 219 N 1.00 0.83 -0.58 4.72 4.81 -1.41 -1.99 114.58 121.96 1dkn h GLU 219 Ca 0.20 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1dkn h GLU 219 Cb 0.45 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1dkn h GLU 219 CO 0.01 0.55 0.33 0.82 -0.73 0.00 0.00 179.01 179.99 1dkn h ILE 220 N 0.85 1.01 -0.82 2.32 2.04 -1.06 0.32 117.51 122.17 1dkn h ILE 220 Ca 0.24 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1dkn h ILE 220 Cb -0.09 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.25 1dkn h ILE 220 CO -0.06 0.12 0.53 -0.26 0.00 0.00 0.00 178.15 178.49 1dkn h PHE 221 N 0.64 0.85 -0.18 1.37 0.04 -0.84 0.14 116.94 118.96 1dkn h PHE 221 Ca 0.25 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.00 1dkn h PHE 221 Cb 0.09 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1dkn h PHE 221 CO -0.08 0.41 -0.03 1.25 -0.60 0.00 0.00 178.31 179.26 1dkn h LEU 222 N 0.80 0.34 -0.95 1.54 5.85 -0.23 -2.45 115.31 120.20 1dkn h LEU 222 Ca 0.37 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1dkn h LEU 222 Cb 0.39 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1dkn h LEU 222 CO -0.15 0.61 0.61 -0.07 -0.34 0.00 0.00 178.44 179.11 1dkn h LEU 223 N 0.06 1.00 -0.05 2.25 4.07 0.10 0.12 115.31 122.87 1dkn h LEU 223 Ca 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1dkn h LEU 223 Cb 0.45 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 1dkn h LEU 223 CO 0.01 0.67 0.03 1.56 -1.08 0.00 0.00 178.44 179.63 1dkn h GLN 224 N 1.16 0.07 0.36 1.13 4.20 -0.70 -0.17 115.11 121.15 1dkn h GLN 224 Ca 0.39 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.10 1dkn h GLN 224 Cb 0.08 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1dkn h GLN 224 CO -0.14 0.09 -0.40 0.37 -0.67 0.00 0.00 178.83 178.08 1dkn h GLN 225 N 0.03 -0.76 -0.07 1.46 5.75 -0.88 -1.21 115.11 119.42 1dkn h GLN 225 Ca 0.02 0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1dkn h GLN 225 Cb 0.04 0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 1dkn h GLN 225 CO -0.00 -0.51 0.07 0.00 -2.65 0.00 0.00 178.83 175.74 1dkn h ALA 226 N -0.39 1.78 -0.00 3.38 0.00 -0.71 0.42 119.26 123.74 1dkn h ALA 226 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dkn h ALA 226 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1dkn h ALA 226 CO -0.09 -0.11 -0.22 0.94 0.00 0.00 0.00 179.25 179.77 1dkn n GLN 227 N -4.06 0.27 -1.58 0.00 -0.06 -0.08 -4.30 117.38 107.57 1dkn n GLN 227 Ca -0.01 -0.11 -0.04 0.00 -2.00 0.00 0.00 57.00 54.85 1dkn n GLN 227 Cb 0.17 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 24.84 1dkn n GLN 227 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1dkn n GLY 228 N 1.42 0.45 3.77 1.69 0.00 0.14 -5.01 105.19 107.64 1dkn n GLY 228 Ca 0.09 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 1dkn n GLY 228 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkn s MET 229 N -3.23 3.91 0.00 1.61 -1.94 -0.65 -4.95 119.30 114.05 1dkn s MET 229 Ca 0.00 1.89 0.00 0.00 -1.71 0.00 0.00 55.69 55.87 1dkn s MET 229 Cb 0.00 -2.59 0.00 0.00 2.01 0.00 0.00 34.83 34.25 1dkn s MET 229 CO 0.00 -0.46 0.52 -2.30 -0.01 0.00 0.00 175.02 172.77 1dkn n PRO 230 N -0.14 0.00 -3.59 2.03 -0.02 -1.26 -4.07 135.00 127.95 1dkn n PRO 230 Ca 0.05 0.52 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 1dkn n PRO 230 Cb 0.46 -0.80 -0.12 0.00 -0.02 0.00 0.00 33.50 33.02 1dkn n PRO 230 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1dkn s GLU 231 N -2.67 1.09 0.13 -0.52 2.02 -1.26 -4.97 118.70 112.52 1dkn s GLU 231 Ca 0.00 -1.94 -0.35 0.00 0.02 0.00 0.00 54.97 52.70 1dkn s GLU 231 Cb 0.00 -1.93 -0.16 0.00 0.10 0.00 0.00 34.13 32.14 1dkn s GLU 231 CO 0.00 -1.23 1.33 -2.30 0.02 0.00 0.00 175.26 173.07 1dkn n PRO 232 N 3.41 1.35 -2.31 0.39 -0.02 -1.26 -0.61 135.00 135.95 1dkn n PRO 232 Ca 0.15 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1dkn n PRO 232 Cb 0.38 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1dkn n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dkn n GLY 233 N 2.47 -0.24 3.39 -1.23 0.00 -1.26 -2.96 105.19 105.36 1dkn n GLY 233 Ca 0.17 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1dkn n GLY 233 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dkn n TRP 234 N -4.02 -2.45 -1.66 1.61 8.01 0.22 -2.62 117.44 116.52 1dkn n TRP 234 Ca -0.17 0.92 -0.21 0.00 -1.31 0.00 0.00 57.50 56.74 1dkn n TRP 234 Cb 0.63 -4.82 -0.08 0.00 -2.01 0.00 0.00 31.31 25.02 1dkn n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1dkn n GLY 235 N -1.60 1.78 0.86 6.99 0.00 -0.67 -4.85 105.19 107.70 1dkn n GLY 235 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1dkn n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkn n ARG 236 N -2.42 2.13 -3.68 1.61 3.00 -1.08 -4.73 116.66 111.48 1dkn n ARG 236 Ca -0.21 -1.74 -0.38 0.00 -0.01 0.00 0.00 57.85 55.51 1dkn n ARG 236 Cb 0.68 -1.46 -0.10 0.00 0.00 0.00 0.00 32.46 31.57 1dkn n ARG 236 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1dkn s ILE 237 N -2.07 3.67 -1.54 0.55 1.01 -1.26 -4.88 121.20 116.68 1dkn s ILE 237 Ca 0.27 -1.92 0.12 0.00 0.00 0.00 0.00 60.65 59.12 1dkn s ILE 237 Cb 0.20 -3.46 0.09 0.00 0.01 0.00 0.00 42.46 39.30 1dkn s ILE 237 CO 0.34 -0.71 0.89 0.35 0.00 0.00 0.00 174.94 175.80 1dkn n THR 238 N 4.73 0.00 -3.93 2.92 -2.24 -1.26 -4.96 114.28 109.54 1dkn n THR 238 Ca -0.05 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1dkn n THR 238 Cb 0.41 1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.84 1dkn n THR 238 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1dkn s ASP 239 N -1.07 -0.11 0.22 3.42 3.84 -1.26 -5.06 116.67 116.65 1dkn s ASP 239 Ca 0.14 -0.81 -0.09 0.00 -0.00 0.00 0.00 52.55 51.80 1dkn s ASP 239 Cb 0.10 0.56 0.22 0.00 -1.38 0.00 0.00 42.92 42.42 1dkn s ASP 239 CO 0.16 -1.07 1.87 0.28 -0.00 0.00 0.00 175.17 176.41 1dkn h SER 240 N 2.29 0.85 0.01 2.11 0.02 -2.00 -2.48 113.55 114.35 1dkn h SER 240 Ca -0.28 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1dkn h SER 240 Cb 1.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1dkn h SER 240 CO 0.38 0.59 -0.04 0.45 -1.14 0.00 0.00 176.83 177.07 1dkn h HIS 241 N 1.00 0.08 -0.03 3.45 -0.00 -1.99 -1.37 115.15 116.29 1dkn h HIS 241 Ca 0.31 -0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.45 1dkn h HIS 241 Cb -0.01 -0.03 0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1dkn h HIS 241 CO -0.03 0.13 -0.91 1.96 -0.00 0.00 0.00 177.93 179.08 1dkn h GLN 242 N 0.08 0.50 -0.40 2.45 4.20 -1.88 -1.93 115.11 118.15 1dkn h GLN 242 Ca 0.02 -0.51 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 1dkn h GLN 242 Cb 0.13 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1dkn h GLN 242 CO 0.01 1.14 0.16 -1.49 -0.67 0.00 0.00 178.83 177.98 1dkn h TRP 243 N 0.30 0.60 -0.57 2.96 4.06 -0.91 -1.18 115.95 121.22 1dkn h TRP 243 Ca -0.08 -0.05 -0.08 0.00 2.06 0.00 0.00 58.89 60.75 1dkn h TRP 243 Cb 1.54 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 1dkn h TRP 243 CO 0.07 0.54 0.06 -0.91 -3.56 0.00 0.00 178.44 174.63 1dkn h ASN 244 N 0.50 0.93 -0.59 -3.49 2.35 -1.29 -1.61 115.58 112.38 1dkn h ASN 244 Ca 0.13 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 1dkn h ASN 244 Cb 0.19 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1dkn h ASN 244 CO -0.01 0.98 0.10 0.74 -1.65 0.00 0.00 177.43 177.59 1dkn h THR 245 N 0.85 1.25 0.38 2.81 2.02 -1.21 -1.41 112.91 117.61 1dkn h THR 245 Ca 0.17 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1dkn h THR 245 Cb 0.47 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1dkn h THR 245 CO 0.02 0.37 -0.18 -0.07 0.37 0.00 0.00 175.52 176.02 1dkn h LEU 246 N 0.94 -0.43 -2.23 2.58 3.38 -1.06 -3.18 115.31 115.31 1dkn h LEU 246 Ca 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dkn h LEU 246 Cb 0.41 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1dkn h LEU 246 CO 0.01 -0.03 0.00 -0.07 0.09 0.00 0.00 178.44 178.44 1dkn h LEU 247 N -0.92 0.00 -2.02 1.67 -0.00 -1.29 -2.27 115.31 110.48 1dkn h LEU 247 Ca -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.88 1dkn h LEU 247 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 1dkn h LEU 247 CO 0.09 0.00 0.14 0.77 -0.00 0.00 0.00 178.44 179.44 1dkn h SER 248 N 0.00 0.00 0.03 -0.43 4.64 -1.22 0.34 113.55 116.91 1dkn h SER 248 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1dkn h SER 248 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1dkn h SER 248 CO 0.00 0.00 -0.35 -0.07 -0.87 0.00 0.00 176.83 175.54 1dkn h LEU 249 N 0.00 0.45 0.04 5.97 -0.00 -1.56 -0.22 115.31 119.99 1dkn h LEU 249 Ca 0.09 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1dkn h LEU 249 Cb 0.38 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1dkn h LEU 249 CO -0.00 0.77 -0.02 -0.74 -0.00 0.00 0.00 178.44 178.45 1dkn h HIS 250 N 0.37 -0.04 -0.21 1.13 2.76 -0.54 -2.74 115.15 115.89 1dkn h HIS 250 Ca 0.04 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1dkn h HIS 250 Cb 0.78 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 1dkn h HIS 250 CO 0.02 0.29 0.04 -0.91 -1.30 0.00 0.00 177.93 176.08 1dkn h ASN 251 N -0.39 0.26 -0.34 3.26 2.35 -0.98 -2.87 115.58 116.87 1dkn h ASN 251 Ca -0.00 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1dkn h ASN 251 Cb 0.36 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1dkn h ASN 251 CO 0.01 0.28 0.11 0.00 -1.65 0.00 0.00 177.43 176.18 1dkn h ALA 252 N 1.76 0.44 -0.95 -0.83 0.00 -0.91 0.65 119.26 119.42 1dkn h ALA 252 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dkn h ALA 252 Cb 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1dkn h ALA 252 CO -0.00 0.07 0.58 0.37 0.00 0.00 0.00 179.25 180.26 1dkn h GLN 253 N 0.39 1.29 0.00 0.00 4.15 -1.27 -2.38 115.11 117.29 1dkn h GLN 253 Ca 0.11 -0.11 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1dkn h GLN 253 Cb 0.23 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1dkn h GLN 253 CO -0.01 0.90 -0.71 0.74 -1.93 0.00 0.00 178.83 177.82 1dkn h PHE 254 N 1.31 0.00 -0.60 3.99 -1.00 -1.36 -0.74 116.94 118.55 1dkn h PHE 254 Ca 0.34 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.10 1dkn h PHE 254 Cb -0.06 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 1dkn h PHE 254 CO 0.00 0.71 0.30 -0.92 -1.61 0.00 0.00 178.31 176.80 1dkn h TYR 255 N 0.00 0.83 0.00 -0.55 3.20 -0.38 -0.07 116.97 120.00 1dkn h TYR 255 Ca -0.01 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1dkn h TYR 255 Cb 1.27 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1dkn h TYR 255 CO 0.00 0.60 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.78 1dkn h LEU 256 N 0.84 0.00 0.00 2.82 4.07 -1.29 -3.27 115.31 118.48 1dkn h LEU 256 Ca 0.21 -0.36 -0.14 0.00 0.08 0.00 0.00 57.88 57.68 1dkn h LEU 256 Cb 0.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1dkn h LEU 256 CO -0.03 0.83 -0.87 -0.07 -1.08 0.00 0.00 178.44 177.22 1dkn h LEU 257 N -1.00 0.00 0.00 1.67 3.38 -1.20 -3.35 115.31 114.81 1dkn h LEU 257 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dkn h LEU 257 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1dkn h LEU 257 CO -0.03 0.57 -1.26 0.00 0.09 0.00 0.00 178.44 177.82 1dkn n GLN 258 N -3.12 0.33 -0.00 1.13 1.13 -0.18 -4.69 117.38 111.98 1dkn n GLN 258 Ca -0.02 -0.06 0.06 0.00 -1.94 0.00 0.00 57.00 55.04 1dkn n GLN 258 Cb 0.79 -1.14 -0.13 0.00 0.11 0.00 0.00 30.24 29.87 1dkn n GLN 258 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1dkn n ARG 259 N -1.70 0.65 -1.69 -1.09 1.74 -0.40 -3.37 116.66 110.79 1dkn n ARG 259 Ca -0.01 -0.07 -0.52 0.00 -0.77 0.00 0.00 57.85 56.48 1dkn n ARG 259 Cb 0.16 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 1dkn n ARG 259 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1dkn n THR 260 N -2.48 0.40 -0.33 0.55 -1.04 -1.23 -4.39 114.28 105.76 1dkn n THR 260 Ca -0.09 -0.07 0.20 0.00 -2.04 0.00 0.00 64.05 62.05 1dkn n THR 260 Cb 0.70 -1.52 0.42 0.00 -1.82 0.00 0.00 70.33 68.11 1dkn n THR 260 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1dkn h PRO 261 N 7.95 0.40 0.00 -2.82 0.11 -1.91 0.32 132.00 136.05 1dkn h PRO 261 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1dkn h PRO 261 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1dkn h PRO 261 CO 0.94 0.27 0.00 0.39 -0.21 0.00 0.00 178.00 179.39 1dkn n GLU 262 N -5.00 0.10 -0.06 1.05 4.71 -1.26 -1.32 120.64 118.86 1dkn n GLU 262 Ca 0.29 0.47 -0.12 0.00 -0.01 0.00 0.00 57.16 57.79 1dkn n GLU 262 Cb 0.87 -1.74 -0.04 0.00 -1.01 0.00 0.00 31.44 29.51 1dkn n GLU 262 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1dkn n VAL 263 N -1.93 0.71 -0.14 2.62 0.31 0.26 -4.69 118.33 115.47 1dkn n VAL 263 Ca 0.01 -0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 64.16 1dkn n VAL 263 Cb 0.11 -1.68 0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1dkn n VAL 263 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dkn h ALA 264 N -0.43 0.32 -0.85 3.52 0.00 -0.41 -1.30 119.26 120.10 1dkn h ALA 264 Ca -0.29 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1dkn h ALA 264 Cb 1.22 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1dkn h ALA 264 CO -0.18 -0.44 0.54 0.00 0.00 0.00 0.00 179.25 179.17 1dkn h ARG 265 N 0.02 1.00 -0.01 0.00 3.08 -1.43 0.38 114.38 117.42 1dkn h ARG 265 Ca 0.21 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.08 1dkn h ARG 265 Cb 0.33 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1dkn h ARG 265 CO -0.44 0.66 -0.49 0.77 -1.07 0.00 0.00 179.97 179.40 1dkn h SER 266 N 1.03 0.44 0.70 7.04 0.02 -1.73 -2.79 113.55 118.26 1dkn h SER 266 Ca 0.35 -0.76 -0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1dkn h SER 266 Cb 0.06 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1dkn h SER 266 CO -0.13 1.14 -0.20 -0.09 -1.14 0.00 0.00 176.83 176.41 1dkn h ARG 267 N -0.21 0.00 0.00 3.45 2.43 -1.05 -3.10 114.38 115.90 1dkn h ARG 267 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1dkn h ARG 267 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1dkn h ARG 267 CO 0.10 0.20 -0.97 0.00 -1.51 0.00 0.00 179.97 177.79 1dkn n ALA 268 N -2.25 3.87 -0.12 2.80 0.00 0.13 -4.52 120.51 120.43 1dkn n ALA 268 Ca -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.90 1dkn n ALA 268 Cb 0.36 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 1dkn n ALA 268 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1dkn h THR 269 N 0.00 0.30 -0.80 0.00 2.02 -1.41 0.39 112.91 113.41 1dkn h THR 269 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1dkn h THR 269 Cb 0.62 0.30 -0.08 0.00 -1.74 0.00 0.00 68.15 67.25 1dkn h THR 269 CO 0.00 0.00 0.42 -0.65 0.37 0.00 0.00 175.52 175.66 1dkn h PRO 270 N -0.20 0.63 -0.20 6.66 0.11 -1.81 -0.92 132.00 136.27 1dkn h PRO 270 Ca 0.18 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 1dkn h PRO 270 Cb 0.50 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1dkn h PRO 270 CO -0.52 0.42 -0.61 -0.07 -0.21 0.00 0.00 178.00 177.01 1dkn h LEU 271 N 0.65 0.78 -0.03 2.35 3.38 -1.55 -2.41 115.31 118.48 1dkn h LEU 271 Ca 0.41 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1dkn h LEU 271 Cb 0.50 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1dkn h LEU 271 CO -0.31 1.21 -0.14 -0.07 0.09 0.00 0.00 178.44 179.22 1dkn h LEU 272 N 0.51 -0.42 -0.63 1.67 3.38 -0.18 0.11 115.31 119.75 1dkn h LEU 272 Ca -0.01 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1dkn h LEU 272 Cb 1.20 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 1dkn h LEU 272 CO 0.12 -0.19 0.21 0.44 0.09 0.00 0.00 178.44 179.11 1dkn h ASP 273 N -0.22 0.17 -0.30 -0.43 3.32 -1.14 0.31 116.42 118.13 1dkn h ASP 273 Ca 0.06 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1dkn h ASP 273 Cb 0.30 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1dkn h ASP 273 CO -0.16 0.09 0.08 0.25 -1.72 0.00 0.00 179.24 177.78 1dkn h LEU 274 N 0.37 0.44 -0.21 1.55 6.46 -0.90 -1.85 115.31 121.17 1dkn h LEU 274 Ca 0.33 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1dkn h LEU 274 Cb 0.45 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1dkn h LEU 274 CO -0.35 0.55 0.12 0.40 -0.62 0.00 0.00 178.44 178.54 1dkn h ILE 275 N 0.32 1.11 -0.37 4.05 2.04 -0.32 0.40 117.51 124.73 1dkn h ILE 275 Ca 0.09 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1dkn h ILE 275 Cb 0.27 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1dkn h ILE 275 CO -0.00 0.10 0.23 0.50 0.00 0.00 0.00 178.15 178.99 1dkn h LYS 276 N 0.24 0.50 -0.53 2.37 3.64 -0.91 0.16 116.57 122.04 1dkn h LYS 276 Ca 0.08 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1dkn h LYS 276 Cb 0.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1dkn h LYS 276 CO -0.01 0.35 0.13 1.15 -2.27 0.00 0.00 179.45 178.80 1dkn h THR 277 N 0.49 1.24 -0.48 1.00 2.02 -1.19 -0.24 112.91 115.76 1dkn h THR 277 Ca 0.13 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 1dkn h THR 277 Cb -0.02 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1dkn h THR 277 CO -0.03 0.31 0.00 0.00 0.37 0.00 0.00 175.52 176.18 1dkn h ALA 278 N 1.01 1.11 0.00 6.16 0.00 -0.63 -2.91 119.26 124.00 1dkn h ALA 278 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dkn h ALA 278 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dkn h ALA 278 CO 0.00 0.57 -0.15 -0.07 0.00 0.00 0.00 179.25 179.60 1dkn h LEU 279 N 0.73 0.00 -9.54 0.00 3.38 -0.40 -3.44 115.31 106.05 1dkn h LEU 279 Ca 0.14 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.55 1dkn h LEU 279 Cb 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1dkn h LEU 279 CO 0.02 0.00 0.07 -0.89 0.09 0.00 0.00 178.44 177.73 1dkn s THR 280 N -3.22 4.81 0.16 0.22 2.01 -0.13 -4.92 115.64 114.58 1dkn s THR 280 Ca 0.06 1.43 -0.30 0.00 0.31 0.00 0.00 61.69 63.19 1dkn s THR 280 Cb 0.07 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1dkn s THR 280 CO 0.68 0.40 1.18 -2.84 -0.69 0.00 0.00 174.62 173.35 1dkn s PRO 281 N -0.18 4.50 0.08 4.92 0.02 -1.26 -4.75 135.00 138.33 1dkn s PRO 281 Ca 0.34 1.83 -0.26 0.00 0.02 0.00 0.00 61.00 62.94 1dkn s PRO 281 Cb -0.19 -3.27 0.09 0.00 0.02 0.00 0.00 34.50 31.15 1dkn s PRO 281 CO 0.20 -0.09 1.17 -3.38 -0.33 0.00 0.00 177.00 174.57 1dkn s HIS 282 N 0.11 0.04 -0.22 6.54 -3.43 -1.26 -5.07 115.29 112.00 1dkn s HIS 282 Ca 0.53 -0.29 -0.29 0.00 -0.80 0.00 0.00 55.06 54.22 1dkn s HIS 282 Cb -0.32 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.43 1dkn s HIS 282 CO 0.35 -0.58 1.73 -1.25 -2.00 0.00 0.00 174.74 172.99 1dkn s PRO 283 N -2.14 3.68 0.40 -0.38 0.04 -1.26 -4.26 135.00 131.08 1dkn s PRO 283 Ca 0.25 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.79 1dkn s PRO 283 Cb -0.01 -4.10 -0.13 0.00 0.04 0.00 0.00 34.50 30.29 1dkn s PRO 283 CO 0.02 -1.44 0.45 -2.30 0.04 0.00 0.00 177.00 173.78 1dkn n PRO 284 N 7.88 0.43 -3.64 0.56 -0.02 -1.26 -4.55 135.00 134.40 1dkn n PRO 284 Ca 0.21 0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1dkn n PRO 284 Cb 0.45 -1.38 -0.07 0.00 -0.02 0.00 0.00 33.50 32.49 1dkn n PRO 284 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1dkn s GLN 285 N -1.42 0.31 -0.18 -0.52 -2.07 -0.95 -4.89 119.66 109.94 1dkn s GLN 285 Ca 0.62 0.46 -0.33 0.00 -1.82 0.00 0.00 55.36 54.29 1dkn s GLN 285 Cb -0.63 0.11 -0.10 0.00 -1.09 0.00 0.00 33.01 31.29 1dkn s GLN 285 CO 0.59 -0.05 2.02 1.63 -1.32 0.00 0.00 175.29 178.16 1dkn n LYS 286 N 2.81 1.86 0.00 9.60 5.02 -1.25 -2.97 118.16 133.24 1dkn n LYS 286 Ca -0.15 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1dkn n LYS 286 Cb 0.57 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 1dkn n LYS 286 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1dkn n GLN 287 N 7.40 3.46 -1.59 1.97 7.27 0.44 -4.91 117.38 131.41 1dkn n GLN 287 Ca 0.28 0.00 -0.48 0.00 0.07 0.00 0.00 57.00 56.87 1dkn n GLN 287 Cb 0.30 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.92 1dkn n GLN 287 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1dkn n ALA 288 N -3.00 -0.49 -1.00 1.69 0.00 -1.26 -0.90 120.51 115.55 1dkn n ALA 288 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1dkn n ALA 288 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1dkn n ALA 288 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dkn n TYR 289 N 1.50 0.00 -1.01 0.00 4.02 -1.26 -3.36 117.16 117.04 1dkn n TYR 289 Ca 0.14 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1dkn n TYR 289 Cb 0.26 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1dkn n TYR 289 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dkn n GLY 290 N -2.28 0.47 3.94 2.72 0.00 -0.08 -4.83 105.19 105.13 1dkn n GLY 290 Ca 0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1dkn n GLY 290 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dkn s VAL 291 N -1.95 3.98 -0.17 1.61 1.01 -1.21 -4.72 120.40 118.94 1dkn s VAL 291 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1dkn s VAL 291 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1dkn s VAL 291 CO 0.00 -0.41 -0.11 -0.89 0.00 0.00 0.00 175.10 173.69 1dkn s THR 292 N -2.68 2.97 0.00 3.92 2.01 -1.26 0.17 115.64 120.77 1dkn s THR 292 Ca 0.50 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1dkn s THR 292 Cb -0.10 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 1dkn s THR 292 CO 0.40 0.49 -0.06 -0.76 -0.69 0.00 0.00 174.62 174.00 1dkn s LEU 293 N 0.91 2.04 1.15 4.42 1.43 -1.16 -4.32 118.68 123.16 1dkn s LEU 293 Ca -0.03 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 1dkn s LEU 293 Cb -0.15 -0.31 0.26 0.00 0.03 0.00 0.00 46.19 46.03 1dkn s LEU 293 CO -0.01 0.05 1.12 -2.84 0.23 0.00 0.00 176.35 174.91 1dkn s PRO 294 N -0.29 -0.84 0.00 1.29 0.02 -1.26 -2.25 135.00 131.67 1dkn s PRO 294 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 61.00 61.03 1dkn s PRO 294 Cb -0.03 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.85 1dkn s PRO 294 CO -0.00 -3.47 0.00 -2.37 -0.33 0.00 0.00 177.00 170.83 1dkn n THR 295 N -4.60 0.00 0.03 0.99 5.66 -1.26 -4.56 114.28 110.54 1dkn n THR 295 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1dkn n THR 295 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1dkn n THR 295 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1dkn n SER 296 N 0.00 0.03 -4.06 1.09 7.64 -1.08 -4.89 113.62 112.35 1dkn n SER 296 Ca 0.00 0.09 -0.25 0.00 1.01 0.00 0.00 58.87 59.72 1dkn n SER 296 Cb 0.00 0.05 -0.16 0.00 -1.01 0.00 0.00 64.21 63.09 1dkn n SER 296 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1dkn s VAL 297 N -2.00 1.19 -0.10 0.44 1.01 -0.68 0.29 120.40 120.54 1dkn s VAL 297 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1dkn s VAL 297 Cb 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1dkn s VAL 297 CO 0.00 0.36 -0.13 -0.22 0.00 0.00 0.00 175.10 175.11 1dkn s LEU 298 N 0.42 1.60 -0.14 3.92 0.20 0.62 -1.01 118.68 124.30 1dkn s LEU 298 Ca -0.10 -0.37 0.02 0.00 0.69 0.00 0.00 54.13 54.36 1dkn s LEU 298 Cb -0.14 -0.98 0.00 0.00 -0.43 0.00 0.00 46.19 44.65 1dkn s LEU 298 CO 0.03 -0.01 -0.20 0.12 -0.29 0.00 0.00 176.35 176.00 1dkn s PHE 299 N 1.06 2.69 -0.24 5.38 2.19 0.00 0.10 117.98 129.16 1dkn s PHE 299 Ca -0.06 -1.19 -0.01 0.00 0.33 0.00 0.00 56.93 56.00 1dkn s PHE 299 Cb -0.15 -1.82 0.03 0.00 -1.31 0.00 0.00 43.02 39.77 1dkn s PHE 299 CO -0.02 -0.53 -0.08 0.42 1.83 0.00 0.00 175.22 176.84 1dkn s ILE 300 N 0.73 2.70 -0.44 3.12 1.01 0.23 -0.79 121.20 127.76 1dkn s ILE 300 Ca -0.08 -1.11 -0.25 0.00 0.00 0.00 0.00 60.65 59.21 1dkn s ILE 300 Cb -0.16 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1dkn s ILE 300 CO 0.00 0.19 0.88 0.00 0.00 0.00 0.00 174.94 176.02 1dkn s ALA 301 N 1.29 3.28 0.00 9.38 0.00 0.49 -0.15 121.76 136.05 1dkn s ALA 301 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1dkn s ALA 301 Cb -0.17 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1dkn s ALA 301 CO -0.05 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.18 1dkn n GLY 302 N 4.86 5.30 3.52 0.00 0.00 0.33 -2.42 105.19 116.77 1dkn n GLY 302 Ca 0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 1dkn n GLY 302 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dkn s HIS 303 N 1.92 1.92 0.32 1.61 3.76 -1.26 -1.25 115.29 122.31 1dkn s HIS 303 Ca 0.00 -1.06 0.02 0.00 -0.15 0.00 0.00 55.06 53.86 1dkn s HIS 303 Cb 0.00 -1.30 0.53 0.00 1.11 0.00 0.00 32.58 32.91 1dkn s HIS 303 CO 0.00 -0.05 1.89 0.38 -0.85 0.00 0.00 174.74 176.10 1dkn h ASP 304 N 1.89 0.66 -0.83 1.40 -0.00 -1.93 -2.05 116.42 115.56 1dkn h ASP 304 Ca -0.39 -0.10 0.03 0.00 -0.00 0.00 0.00 57.03 56.57 1dkn h ASP 304 Cb 1.26 -0.17 -0.05 0.00 -0.00 0.00 0.00 39.33 40.37 1dkn h ASP 304 CO 0.66 0.64 0.54 0.71 -0.00 0.00 0.00 179.24 181.78 1dkn h THR 305 N 0.71 1.13 -0.39 1.15 1.35 -1.96 -0.97 112.91 113.93 1dkn h THR 305 Ca 0.16 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1dkn h THR 305 Cb 0.22 -0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.62 1dkn h THR 305 CO -0.01 0.19 0.19 0.78 -0.25 0.00 0.00 175.52 176.42 1dkn h ASN 306 N 1.04 0.50 -0.50 5.36 -0.26 -1.71 0.19 115.58 120.21 1dkn h ASN 306 Ca 0.33 -0.12 -0.09 0.00 -0.56 0.00 0.00 56.30 55.86 1dkn h ASN 306 Cb 0.01 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1dkn h ASN 306 CO -0.11 0.48 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.64 1dkn h LEU 307 N 0.49 0.92 -0.49 1.61 3.38 -1.27 -0.58 115.31 119.37 1dkn h LEU 307 Ca 0.13 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1dkn h LEU 307 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1dkn h LEU 307 CO -0.02 0.99 0.03 0.00 0.09 0.00 0.00 178.44 179.54 1dkn h ALA 308 N 1.10 0.65 -0.10 1.53 0.00 -0.90 0.77 119.26 122.32 1dkn h ALA 308 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dkn h ALA 308 Cb 0.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1dkn h ALA 308 CO 0.03 0.43 0.06 -0.91 0.00 0.00 0.00 179.25 178.86 1dkn h ASN 309 N 0.70 0.11 -0.87 0.00 2.35 -0.34 0.84 115.58 118.38 1dkn h ASN 309 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1dkn h ASN 309 Cb 0.46 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 1dkn h ASN 309 CO 0.02 0.09 0.55 -0.07 -1.65 0.00 0.00 177.43 176.37 1dkn h LEU 310 N 0.12 1.01 -0.47 1.61 3.38 -0.94 0.17 115.31 120.19 1dkn h LEU 310 Ca 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1dkn h LEU 310 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1dkn h LEU 310 CO -0.01 0.75 0.26 1.23 0.09 0.00 0.00 178.44 180.77 1dkn h GLY 311 N 1.18 0.70 0.90 0.83 0.00 -0.39 -0.07 103.07 106.22 1dkn h GLY 311 Ca 0.31 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dkn h GLY 311 CO -0.06 0.30 0.02 -1.33 0.00 0.00 0.00 176.54 175.47 1dkn h GLY 312 N 0.62 0.07 1.47 4.60 0.00 0.10 0.12 103.07 110.06 1dkn h GLY 312 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1dkn h GLY 312 CO -0.03 0.03 0.08 0.00 0.00 0.00 0.00 176.54 176.62 1dkn h ALA 313 N 0.91 1.33 -0.02 3.60 0.00 -0.54 -2.70 119.26 121.83 1dkn h ALA 313 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dkn h ALA 313 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1dkn h ALA 313 CO -0.00 0.47 -0.02 1.28 0.00 0.00 0.00 179.25 180.98 1dkn n LEU 314 N -4.29 2.22 -3.49 0.00 4.32 -0.05 -4.81 117.00 110.89 1dkn n LEU 314 Ca 0.03 -0.74 -0.21 0.00 -0.02 0.00 0.00 56.01 55.07 1dkn n LEU 314 Cb 0.22 -0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.08 1dkn n LEU 314 CO 0.39 0.37 -0.01 -0.62 -1.22 0.00 0.00 177.39 176.30 1dkn n GLU 315 N 0.71 -3.27 -4.03 3.23 1.02 -0.25 -4.52 120.64 113.54 1dkn n GLU 315 Ca 0.16 0.71 -0.34 0.00 -0.02 0.00 0.00 57.16 57.67 1dkn n GLU 315 Cb 0.47 -5.28 -0.15 0.00 -0.02 0.00 0.00 31.44 26.46 1dkn n GLU 315 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dkn s LEU 316 N -6.09 2.55 -0.05 -4.62 1.43 0.27 -3.75 118.68 108.42 1dkn s LEU 316 Ca 0.29 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1dkn s LEU 316 Cb -0.06 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 1dkn s LEU 316 CO 0.78 -0.03 -0.20 0.20 0.23 0.00 0.00 176.35 177.33 1dkn s ASN 317 N 1.35 3.50 0.12 2.29 0.01 -1.26 -4.57 114.94 116.38 1dkn s ASN 317 Ca 0.04 -0.37 -0.15 0.00 -0.71 0.00 0.00 52.86 51.67 1dkn s ASN 317 Cb -0.14 -0.80 0.03 0.00 0.41 0.00 0.00 41.25 40.74 1dkn s ASN 317 CO -0.09 0.29 0.37 -1.66 -1.51 0.00 0.00 177.10 174.50 1dkn s TRP 318 N -0.41 -0.11 -0.03 2.20 -2.14 -1.26 -4.93 118.94 112.25 1dkn s TRP 318 Ca 0.04 -0.23 0.01 0.00 2.66 0.00 0.00 56.10 58.59 1dkn s TRP 318 Cb -0.12 0.20 0.02 0.00 -3.10 0.00 0.00 33.47 30.47 1dkn s TRP 318 CO 0.02 -0.69 -0.05 -0.08 -2.66 0.00 0.00 176.95 173.49 1dkn s THR 319 N -3.82 0.50 -0.51 0.66 -1.32 -1.26 -5.01 115.64 104.87 1dkn s THR 319 Ca 0.04 -0.14 -0.14 0.00 -1.21 0.00 0.00 61.69 60.25 1dkn s THR 319 Cb 0.02 -0.50 0.12 0.00 -1.51 0.00 0.00 72.50 70.63 1dkn s THR 319 CO -0.11 0.20 0.44 -0.76 -2.21 0.00 0.00 174.62 172.18 1dkn s LEU 320 N 0.67 5.99 -0.14 9.08 1.43 -1.26 -5.03 118.68 129.42 1dkn s LEU 320 Ca -0.09 -1.81 -0.36 0.00 -1.03 0.00 0.00 54.13 50.84 1dkn s LEU 320 Cb -0.12 -2.14 -0.13 0.00 0.03 0.00 0.00 46.19 43.83 1dkn s LEU 320 CO 0.00 -0.79 1.80 -0.81 0.23 0.00 0.00 176.35 176.78 1dkn n PRO 321 N 5.13 1.77 -0.40 1.29 -0.04 -1.26 -0.44 135.00 141.05 1dkn n PRO 321 Ca -0.12 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1dkn n PRO 321 Cb 0.40 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1dkn n PRO 321 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dkn n GLY 322 N 4.23 0.73 2.61 0.55 0.00 -1.26 -4.88 105.19 107.17 1dkn n GLY 322 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1dkn n GLY 322 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dkn s GLN 323 N -0.58 0.31 0.60 1.61 2.00 0.42 -0.66 119.66 123.35 1dkn s GLN 323 Ca 0.00 -0.50 0.38 0.00 -2.00 0.00 0.00 55.36 53.24 1dkn s GLN 323 Cb 0.00 -1.58 1.90 0.00 0.80 0.00 0.00 33.01 34.14 1dkn s GLN 323 CO 0.00 -0.88 2.19 -1.00 -0.50 0.00 0.00 175.29 175.10 1dkn h PRO 324 N 8.34 0.00 -5.41 1.67 0.13 -1.91 -3.39 132.00 131.42 1dkn h PRO 324 Ca -0.17 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.34 1dkn h PRO 324 Cb 1.06 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.07 1dkn h PRO 324 CO 0.40 0.02 0.04 0.34 -0.23 0.00 0.00 178.00 178.57 1dkn s ASP 325 N -5.54 6.49 0.33 1.44 -1.08 -1.26 -4.66 116.67 112.39 1dkn s ASP 325 Ca -0.03 0.59 0.04 0.00 -0.52 0.00 0.00 52.55 52.64 1dkn s ASP 325 Cb 0.12 -2.30 0.66 0.00 -1.46 0.00 0.00 42.92 39.94 1dkn s ASP 325 CO 0.49 -0.31 1.91 -1.13 0.52 0.00 0.00 175.17 176.65 1dkn h ASN 326 N 7.95 0.78 -2.33 -0.34 -0.73 -1.93 -3.22 115.58 115.75 1dkn h ASN 326 Ca -0.28 0.01 -0.59 0.00 1.87 0.00 0.00 56.30 57.31 1dkn h ASN 326 Cb 1.14 -0.15 -0.39 0.00 0.27 0.00 0.00 38.32 39.18 1dkn h ASN 326 CO 0.74 0.48 -0.91 0.35 -0.37 0.00 0.00 177.43 177.71 1dkn n THR 327 N -4.51 -0.19 -1.44 -3.57 -2.24 -1.26 -4.91 114.28 96.17 1dkn n THR 327 Ca 0.14 -4.05 -0.31 0.00 -2.27 0.00 0.00 64.05 57.56 1dkn n THR 327 Cb 0.27 -1.89 0.07 0.00 -2.10 0.00 0.00 70.33 66.68 1dkn n THR 327 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1dkn s PRO 328 N -0.88 2.65 0.33 -0.78 0.04 -1.22 -4.74 135.00 130.39 1dkn s PRO 328 Ca 0.33 1.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 1dkn s PRO 328 Cb 0.08 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1dkn s PRO 328 CO -0.14 -1.33 1.23 -0.35 0.04 0.00 0.00 177.00 176.45 1dkn n PRO 329 N -3.28 1.96 0.00 0.56 -0.04 -1.26 -0.15 135.00 132.78 1dkn n PRO 329 Ca 0.08 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1dkn n PRO 329 Cb 0.53 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1dkn n PRO 329 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dkn n GLY 330 N 0.87 2.89 3.54 0.55 0.00 0.24 -4.80 105.19 108.47 1dkn n GLY 330 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1dkn n GLY 330 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkn n GLY 331 N -1.24 -0.75 2.96 -0.02 0.00 0.78 -4.55 105.19 102.37 1dkn n GLY 331 Ca 0.00 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1dkn n GLY 331 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dkn s GLU 332 N -1.61 1.40 -0.30 1.61 2.02 0.12 -1.25 118.70 120.68 1dkn s GLU 332 Ca 0.61 -0.28 -0.18 0.00 0.02 0.00 0.00 54.97 55.15 1dkn s GLU 332 Cb -0.66 -1.28 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 1dkn s GLU 332 CO 0.58 -0.07 0.49 -1.17 0.02 0.00 0.00 175.26 175.11 1dkn s LEU 333 N 1.00 4.18 -0.17 1.80 0.20 0.60 -0.25 118.68 126.04 1dkn s LEU 333 Ca -0.09 0.23 -0.03 0.00 0.69 0.00 0.00 54.13 54.94 1dkn s LEU 333 Cb -0.15 -2.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 1dkn s LEU 333 CO -0.00 -0.36 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.95 1dkn s VAL 334 N 2.32 3.51 -0.13 1.68 1.01 0.80 -1.12 120.40 128.47 1dkn s VAL 334 Ca 0.19 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1dkn s VAL 334 Cb -0.16 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1dkn s VAL 334 CO 0.11 0.47 -0.09 -0.36 0.00 0.00 0.00 175.10 175.24 1dkn s PHE 335 N 0.76 2.90 0.00 5.22 0.08 -0.20 -1.16 117.98 125.58 1dkn s PHE 335 Ca -0.03 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.65 1dkn s PHE 335 Cb -0.15 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1dkn s PHE 335 CO 0.02 -0.05 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.79 1dkn s GLU 336 N 0.15 0.65 -0.21 0.44 2.02 0.64 -0.77 118.70 121.63 1dkn s GLU 336 Ca -0.04 -0.35 -0.05 0.00 0.02 0.00 0.00 54.97 54.55 1dkn s GLU 336 Cb -0.14 -0.62 -0.02 0.00 0.10 0.00 0.00 34.13 33.45 1dkn s GLU 336 CO 0.04 0.17 -0.02 0.50 0.02 0.00 0.00 175.26 175.97 1dkn s ARG 337 N -0.34 3.52 0.03 1.61 3.52 -0.23 0.32 118.95 127.38 1dkn s ARG 337 Ca 0.02 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 55.12 1dkn s ARG 337 Cb -0.04 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1dkn s ARG 337 CO -0.00 -0.07 -0.17 -1.58 -0.81 0.00 0.00 175.30 172.66 1dkn s TRP 338 N 1.19 2.58 -0.19 5.12 0.52 0.14 -0.65 118.94 127.66 1dkn s TRP 338 Ca 0.03 -0.24 -0.04 0.00 0.02 0.00 0.00 56.10 55.87 1dkn s TRP 338 Cb -0.15 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1dkn s TRP 338 CO 0.00 0.25 -0.03 0.50 0.02 0.00 0.00 176.95 177.69 1dkn s ARG 339 N -1.36 3.54 -0.39 4.98 3.00 -0.66 -0.26 118.95 127.81 1dkn s ARG 339 Ca 0.14 -0.56 -0.29 0.00 -1.00 0.00 0.00 55.73 54.02 1dkn s ARG 339 Cb -0.11 -3.00 0.01 0.00 0.00 0.00 0.00 34.95 31.85 1dkn s ARG 339 CO 0.05 0.01 1.43 0.50 0.00 0.00 0.00 175.30 177.29 1dkn s ARG 340 N 0.98 3.60 0.29 5.12 3.52 -0.03 -1.84 118.95 130.60 1dkn s ARG 340 Ca 0.01 1.03 0.03 0.00 -0.13 0.00 0.00 55.73 56.67 1dkn s ARG 340 Cb -0.14 -4.02 0.69 0.00 -1.56 0.00 0.00 34.95 29.91 1dkn s ARG 340 CO 0.01 -1.53 1.73 -0.07 -0.81 0.00 0.00 175.30 174.63 1dkn h LEU 341 N 12.14 0.47 -0.26 -0.88 3.38 -1.54 1.07 115.31 129.69 1dkn h LEU 341 Ca -0.28 0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1dkn h LEU 341 Cb 1.11 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1dkn h LEU 341 CO 1.07 0.10 -0.15 0.28 0.09 0.00 0.00 178.44 179.83 1dkn h SER 342 N 0.52 -0.57 -0.11 -0.43 0.02 -1.91 -3.20 113.55 107.87 1dkn h SER 342 Ca 0.54 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 1dkn h SER 342 Cb 0.95 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1dkn h SER 342 CO -0.46 -0.06 0.00 -0.90 -1.14 0.00 0.00 176.83 174.27 1dkn n ASP 343 N -3.58 2.28 -3.43 3.07 3.85 -1.14 -5.00 116.55 112.59 1dkn n ASP 343 Ca 0.00 -1.96 -0.25 0.00 -0.71 0.00 0.00 54.79 51.87 1dkn n ASP 343 Cb 0.07 -0.08 0.04 0.00 -1.35 0.00 0.00 41.12 39.80 1dkn n ASP 343 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1dkn n ASN 344 N -0.13 -5.63 -4.85 -1.12 4.13 0.37 -4.98 115.26 103.05 1dkn n ASN 344 Ca 0.04 -0.48 -0.33 0.00 1.68 0.00 0.00 54.58 55.48 1dkn n ASN 344 Cb 0.30 -4.50 -0.06 0.00 -1.54 0.00 0.00 39.78 33.98 1dkn n ASN 344 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1dkn s SER 345 N -3.02 6.76 0.03 6.41 1.04 -1.18 -4.78 113.70 118.95 1dkn s SER 345 Ca 0.48 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 57.87 1dkn s SER 345 Cb -0.23 -2.31 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1dkn s SER 345 CO 0.60 -0.07 0.48 -1.10 0.98 0.00 0.00 173.24 174.12 1dkn s GLN 346 N -2.62 4.05 0.08 4.02 -1.52 -1.26 -0.85 119.66 121.56 1dkn s GLN 346 Ca 0.47 0.55 0.01 0.00 -1.95 0.00 0.00 55.36 54.44 1dkn s GLN 346 Cb -0.12 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.39 1dkn s GLN 346 CO 0.19 0.65 -0.06 -1.58 -0.25 0.00 0.00 175.29 174.25 1dkn s TRP 347 N -1.03 0.74 -0.01 0.91 0.52 0.64 -1.90 118.94 118.82 1dkn s TRP 347 Ca 0.26 -0.88 0.03 0.00 0.02 0.00 0.00 56.10 55.52 1dkn s TRP 347 Cb -0.18 -0.46 -0.01 0.00 -1.15 0.00 0.00 33.47 31.68 1dkn s TRP 347 CO 0.16 -0.20 -0.08 0.42 0.02 0.00 0.00 176.95 177.26 1dkn s ILE 348 N -3.32 0.67 0.01 2.03 1.01 0.82 0.26 121.20 122.68 1dkn s ILE 348 Ca 0.07 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1dkn s ILE 348 Cb 0.03 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1dkn s ILE 348 CO -0.05 0.19 -0.23 -1.58 0.00 0.00 0.00 174.94 173.27 1dkn s GLN 349 N -0.17 1.72 -0.03 2.79 0.74 0.15 -1.83 119.66 123.03 1dkn s GLN 349 Ca 0.03 -0.88 0.04 0.00 0.05 0.00 0.00 55.36 54.60 1dkn s GLN 349 Cb -0.04 -1.74 -0.00 0.00 1.10 0.00 0.00 33.01 32.33 1dkn s GLN 349 CO -0.00 0.47 -0.16 0.08 -0.55 0.00 0.00 175.29 175.12 1dkn s VAL 350 N -0.63 1.31 0.25 1.34 1.01 -1.26 -0.26 120.40 122.17 1dkn s VAL 350 Ca 0.09 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1dkn s VAL 350 Cb -0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1dkn s VAL 350 CO 0.00 0.38 0.40 -0.94 0.00 0.00 0.00 175.10 174.94 1dkn s SER 351 N -0.05 0.12 -0.18 3.32 1.04 -0.31 0.24 113.70 117.88 1dkn s SER 351 Ca -0.01 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.31 1dkn s SER 351 Cb -0.10 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1dkn s SER 351 CO 0.01 -1.10 -0.14 -0.22 0.98 0.00 0.00 173.24 172.77 1dkn s LEU 352 N -3.08 2.09 -0.22 2.42 1.98 -0.68 -0.14 118.68 121.05 1dkn s LEU 352 Ca 0.27 -0.72 -0.07 0.00 -2.89 0.00 0.00 54.13 50.73 1dkn s LEU 352 Cb 0.01 -1.28 -0.03 0.00 0.66 0.00 0.00 46.19 45.54 1dkn s LEU 352 CO 0.11 -0.08 0.06 -0.69 -1.89 0.00 0.00 176.35 173.87 1dkn s VAL 353 N 1.39 4.51 0.16 1.68 1.01 0.66 -1.87 120.40 127.94 1dkn s VAL 353 Ca 0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1dkn s VAL 353 Cb -0.14 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1dkn s VAL 353 CO -0.10 0.39 0.27 0.72 0.00 0.00 0.00 175.10 176.38 1dkn s PHE 354 N 1.05 0.40 -0.16 5.22 -0.12 -0.96 0.13 117.98 123.54 1dkn s PHE 354 Ca 0.04 -0.77 -0.09 0.00 -0.05 0.00 0.00 56.93 56.06 1dkn s PHE 354 Cb -0.14 -0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 1dkn s PHE 354 CO 0.03 -0.70 0.15 -0.65 -0.05 0.00 0.00 175.22 174.00 1dkn s GLN 355 N -3.96 3.86 0.89 1.99 -0.21 -1.26 0.86 119.66 121.82 1dkn s GLN 355 Ca 0.17 -0.15 -0.11 0.00 0.02 0.00 0.00 55.36 55.29 1dkn s GLN 355 Cb 0.04 -3.31 0.13 0.00 1.00 0.00 0.00 33.01 30.86 1dkn s GLN 355 CO -0.01 0.52 1.09 0.95 -2.12 0.00 0.00 175.29 175.72 1dkn s THR 356 N -0.28 2.69 0.33 -0.19 -4.23 -1.26 -4.85 115.64 107.85 1dkn s THR 356 Ca 0.12 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1dkn s THR 356 Cb -0.12 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.38 1dkn s THR 356 CO 0.01 -0.29 1.98 0.25 -0.54 0.00 0.00 174.62 176.04 1dkn h LEU 357 N -1.58 0.80 -0.53 4.79 5.85 -1.26 -2.27 115.31 121.11 1dkn h LEU 357 Ca -0.48 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.13 1dkn h LEU 357 Cb 1.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1dkn h LEU 357 CO 0.52 0.57 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.55 1dkn h GLN 358 N 0.94 0.95 0.00 1.25 5.75 -1.91 -0.34 115.11 121.75 1dkn h GLN 358 Ca 0.28 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1dkn h GLN 358 Cb -0.04 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.43 1dkn h GLN 358 CO -0.07 0.98 0.00 1.96 -2.65 0.00 0.00 178.83 179.05 1dkn h GLN 359 N 0.82 0.00 0.07 1.69 4.20 -1.76 0.09 115.11 120.22 1dkn h GLN 359 Ca 0.15 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.48 1dkn h GLN 359 Cb 0.56 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1dkn h GLN 359 CO 0.03 0.00 -2.20 -1.33 -0.67 0.00 0.00 178.83 174.66 1dkn n MET 360 N -2.69 0.71 -0.08 1.46 2.81 -0.90 -1.92 117.12 116.52 1dkn n MET 360 Ca -0.01 0.21 -0.08 0.00 -1.81 0.00 0.00 57.70 56.01 1dkn n MET 360 Cb 0.11 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 30.98 1dkn n MET 360 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1dkn h ARG 361 N 0.04 0.25 -0.36 0.03 1.12 -0.08 -2.32 114.38 113.05 1dkn h ARG 361 Ca -0.49 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1dkn h ARG 361 Cb 1.98 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.89 1dkn h ARG 361 CO 0.01 0.16 0.00 -0.25 -3.11 0.00 0.00 179.97 176.79 1dkn n ASP 362 N -5.01 2.43 -4.14 -3.80 8.00 -0.08 -4.60 116.55 109.36 1dkn n ASP 362 Ca -0.01 -1.91 -0.30 0.00 0.71 0.00 0.00 54.79 53.29 1dkn n ASP 362 Cb 0.09 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 1dkn n ASP 362 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1dkn n LYS 363 N 0.82 -2.46 -2.38 -1.24 4.81 -0.87 -4.85 118.16 111.98 1dkn n LYS 363 Ca 0.17 0.29 -0.42 0.00 -0.87 0.00 0.00 58.31 57.48 1dkn n LYS 363 Cb 0.41 -4.37 -0.03 0.00 0.02 0.00 0.00 35.03 31.07 1dkn n LYS 363 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1dkn s THR 364 N -3.93 4.04 0.30 3.15 -1.32 -0.81 -4.99 115.64 112.09 1dkn s THR 364 Ca 0.18 1.41 -0.29 0.00 -1.21 0.00 0.00 61.69 61.78 1dkn s THR 364 Cb -0.10 -3.91 -0.11 0.00 -1.51 0.00 0.00 72.50 66.88 1dkn s THR 364 CO 0.93 0.03 1.46 -2.16 -2.21 0.00 0.00 174.62 172.67 1dkn s PRO 365 N 1.98 4.22 0.20 7.08 0.04 -1.26 -4.95 135.00 142.31 1dkn s PRO 365 Ca 0.59 2.40 0.05 0.00 0.04 0.00 0.00 61.00 64.08 1dkn s PRO 365 Cb -0.28 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1dkn s PRO 365 CO 0.25 -0.44 0.23 -0.51 0.04 0.00 0.00 177.00 176.57 1dkn s LEU 366 N -1.04 4.04 -0.06 -3.56 1.43 -1.26 -4.83 118.68 113.39 1dkn s LEU 366 Ca 0.57 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 1dkn s LEU 366 Cb -0.44 -2.60 0.10 0.00 0.03 0.00 0.00 46.19 43.28 1dkn s LEU 366 CO 0.50 0.01 1.34 -0.94 0.23 0.00 0.00 176.35 177.50 1dkn s SER 367 N -3.49 -0.00 0.35 2.29 1.04 -0.26 -4.35 113.70 109.28 1dkn s SER 367 Ca 0.33 -0.09 0.08 0.00 0.48 0.00 0.00 55.95 56.75 1dkn s SER 367 Cb -0.10 0.07 0.78 0.00 0.10 0.00 0.00 66.02 66.87 1dkn s SER 367 CO 0.26 -0.13 1.88 -0.07 0.98 0.00 0.00 173.24 176.17 1dkn h LEU 368 N 2.00 0.68 -0.29 2.42 3.38 -1.96 -1.18 115.31 120.36 1dkn h LEU 368 Ca -0.22 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 1dkn h LEU 368 Cb 1.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1dkn h LEU 368 CO 0.30 0.37 -0.80 0.78 0.09 0.00 0.00 178.44 179.17 1dkn h ASN 369 N 0.73 0.59 -2.91 -0.43 4.21 -1.99 -3.35 115.58 112.42 1dkn h ASN 369 Ca 0.42 -0.41 -0.61 0.00 1.21 0.00 0.00 56.30 56.91 1dkn h ASN 369 Cb 0.61 -0.18 -0.41 0.00 -1.12 0.00 0.00 38.32 37.22 1dkn h ASN 369 CO -0.19 1.18 -0.65 0.35 -1.29 0.00 0.00 177.43 176.83 1dkn n THR 370 N -3.83 1.16 -2.02 2.81 -2.24 -0.75 -5.11 114.28 104.30 1dkn n THR 370 Ca -0.06 -4.63 -0.30 0.00 -2.27 0.00 0.00 64.05 56.80 1dkn n THR 370 Cb 0.75 -2.09 0.03 0.00 -2.10 0.00 0.00 70.33 66.93 1dkn n THR 370 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1dkn s PRO 371 N -1.25 3.08 0.78 -0.78 0.04 -0.52 -1.10 135.00 135.24 1dkn s PRO 371 Ca 0.27 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 61.64 1dkn s PRO 371 Cb -0.02 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1dkn s PRO 371 CO -0.17 -0.82 1.12 -1.25 0.04 0.00 0.00 177.00 175.92 1dkn s PRO 372 N -5.22 1.93 0.83 0.56 0.04 -1.26 -4.93 135.00 126.95 1dkn s PRO 372 Ca 0.56 -0.12 -0.10 0.00 0.04 0.00 0.00 61.00 61.37 1dkn s PRO 372 Cb -0.11 -2.04 0.09 0.00 0.04 0.00 0.00 34.50 32.48 1dkn s PRO 372 CO 0.51 -1.52 1.12 0.20 0.04 0.00 0.00 177.00 177.34 1dkn s GLY 373 N -4.59 1.70 -0.22 0.56 0.00 0.25 -4.86 107.32 100.17 1dkn s GLY 373 Ca 0.62 0.42 -0.17 0.00 0.00 0.00 0.00 44.72 45.59 1dkn s GLY 373 CO 0.47 0.79 0.56 1.85 0.00 0.00 0.00 173.10 176.77 1dkn s GLU 374 N -4.77 0.62 -0.19 2.90 2.12 -1.26 -2.27 118.70 115.85 1dkn s GLU 374 Ca 0.64 0.87 -0.01 0.00 0.36 0.00 0.00 54.97 56.82 1dkn s GLU 374 Cb -0.20 0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.47 1dkn s GLU 374 CO 0.56 -0.11 -0.01 0.08 -0.54 0.00 0.00 175.26 175.24 1dkn s VAL 375 N 0.77 0.93 0.09 3.70 1.01 -0.78 -4.98 120.40 121.13 1dkn s VAL 375 Ca -0.04 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 1dkn s VAL 375 Cb -0.05 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.98 1dkn s VAL 375 CO -0.06 -0.07 1.49 -0.54 0.00 0.00 0.00 175.10 175.92 1dkn s LYS 376 N 1.69 4.26 0.09 2.72 1.02 -1.26 -1.69 119.74 126.57 1dkn s LYS 376 Ca -0.02 2.17 -0.02 0.00 0.02 0.00 0.00 55.97 58.13 1dkn s LYS 376 Cb -0.17 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 1dkn s LYS 376 CO -0.07 -0.57 0.27 -0.51 -0.92 0.00 0.00 175.35 173.54 1dkn s LEU 377 N 1.79 4.33 -0.09 3.17 1.02 0.14 -4.96 118.68 124.08 1dkn s LEU 377 Ca 0.68 0.38 0.03 0.00 0.02 0.00 0.00 54.13 55.24 1dkn s LEU 377 Cb -0.38 -3.07 -0.01 0.00 0.02 0.00 0.00 46.19 42.75 1dkn s LEU 377 CO 0.30 0.13 -0.21 0.28 0.02 0.00 0.00 176.35 176.88 1dkn s THR 378 N -1.56 2.40 -0.44 5.49 -1.32 -1.26 -4.38 115.64 114.56 1dkn s THR 378 Ca 0.37 -0.92 -0.27 0.00 -1.21 0.00 0.00 61.69 59.66 1dkn s THR 378 Cb -0.13 -1.93 0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1dkn s THR 378 CO 0.27 0.56 1.02 -0.76 -2.21 0.00 0.00 174.62 173.49 1dkn s LEU 379 N 0.13 3.86 0.55 9.08 1.43 -1.26 -4.74 118.68 127.73 1dkn s LEU 379 Ca -0.11 0.41 0.37 0.00 -1.03 0.00 0.00 54.13 53.77 1dkn s LEU 379 Cb -0.16 -3.37 1.82 0.00 0.03 0.00 0.00 46.19 44.51 1dkn s LEU 379 CO 0.06 -1.08 2.11 0.00 0.23 0.00 0.00 176.35 177.67 1dkn h ALA 380 N 8.94 1.00 -0.70 4.21 0.00 -1.79 -2.04 119.26 128.88 1dkn h ALA 380 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dkn h ALA 380 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dkn h ALA 380 CO 1.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.72 1dkn n GLY 381 N -0.65 2.64 3.72 0.00 0.00 -1.26 -4.94 105.19 104.71 1dkn n GLY 381 Ca -0.01 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1dkn n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkn n GLU 383 N 3.35 0.50 -2.22 0.00 4.07 -1.26 -4.92 120.64 120.16 1dkn n GLU 383 Ca -0.17 0.21 -0.43 0.00 -0.06 0.00 0.00 57.16 56.72 1dkn n GLU 383 Cb 0.52 -1.37 -0.02 0.00 -0.06 0.00 0.00 31.44 30.51 1dkn n GLU 383 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1dkn s GLU 384 N -2.68 3.93 0.28 5.31 2.12 -1.26 -4.99 118.70 121.40 1dkn s GLU 384 Ca -0.30 1.62 0.02 0.00 0.36 0.00 0.00 54.97 56.68 1dkn s GLU 384 Cb 0.08 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1dkn s GLU 384 CO 0.41 -1.12 0.13 1.03 -0.54 0.00 0.00 175.26 175.17 1dkn s ARG 385 N 4.31 1.49 0.54 4.30 0.52 -1.26 -2.22 118.95 126.62 1dkn s ARG 385 Ca 0.66 -1.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.08 1dkn s ARG 385 Cb -0.23 -0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.09 1dkn s ARG 385 CO 0.26 -0.37 0.26 0.54 0.02 0.00 0.00 175.30 176.01 1dkn s ASN 386 N -3.33 4.45 0.49 0.23 2.20 -0.98 -4.93 114.94 113.06 1dkn s ASN 386 Ca 0.37 -1.42 0.33 0.00 -0.94 0.00 0.00 52.86 51.20 1dkn s ASN 386 Cb 0.06 0.52 1.78 0.00 -2.00 0.00 0.00 41.25 41.61 1dkn s ASN 386 CO 0.15 -1.04 2.01 0.00 -2.94 0.00 0.00 177.10 175.28 1dkn h ALA 387 N 0.94 1.00 -0.01 3.54 0.00 -2.03 -0.40 119.26 122.31 1dkn h ALA 387 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1dkn h ALA 387 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dkn h ALA 387 CO 0.63 0.00 -0.27 1.04 0.00 0.00 0.00 179.25 180.65 1dkn n GLN 388 N -2.66 0.84 -0.53 0.00 1.13 -1.26 -4.94 117.38 109.97 1dkn n GLN 388 Ca -0.02 -0.51 0.00 0.00 -1.94 0.00 0.00 57.00 54.53 1dkn n GLN 388 Cb 0.06 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.92 1dkn n GLN 388 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dkn n GLY 389 N 1.35 0.76 3.85 1.08 0.00 -0.16 -5.06 105.19 107.01 1dkn n GLY 389 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1dkn n GLY 389 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkn s MET 390 N -0.47 2.51 0.06 1.61 -1.94 -1.26 -4.79 119.30 115.02 1dkn s MET 390 Ca 0.00 0.55 -0.05 0.00 -1.71 0.00 0.00 55.69 54.48 1dkn s MET 390 Cb 0.00 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.82 1dkn s MET 390 CO 0.00 -1.30 0.29 0.00 -0.01 0.00 0.00 175.02 174.00 1dkn s SER 392 N -2.11 3.88 0.31 0.00 1.04 -0.94 -0.13 113.70 115.76 1dkn s SER 392 Ca 0.33 1.53 0.05 0.00 0.48 0.00 0.00 55.95 58.35 1dkn s SER 392 Cb -0.13 -2.23 0.52 0.00 0.10 0.00 0.00 66.02 64.28 1dkn s SER 392 CO 0.21 -2.39 1.78 0.25 0.98 0.00 0.00 173.24 174.08 1dkn h LEU 393 N -1.37 0.38 -0.25 2.42 6.46 -1.70 -1.44 115.31 119.82 1dkn h LEU 393 Ca -0.48 -0.12 -0.20 0.00 -0.12 0.00 0.00 57.88 56.96 1dkn h LEU 393 Cb 1.27 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1dkn h LEU 393 CO 0.55 0.62 -0.68 0.00 -0.62 0.00 0.00 178.44 178.30 1dkn h ALA 394 N 1.42 0.41 0.92 1.25 0.00 -1.91 -0.47 119.26 120.88 1dkn h ALA 394 Ca 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1dkn h ALA 394 Cb 0.59 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dkn h ALA 394 CO 0.04 0.69 -0.44 0.78 0.00 0.00 0.00 179.25 180.32 1dkn h GLY 395 N 0.69 -1.29 0.11 0.00 0.00 -1.83 -0.90 103.07 99.85 1dkn h GLY 395 Ca -0.02 0.48 0.13 0.00 0.00 0.00 0.00 47.33 47.91 1dkn h GLY 395 CO 0.14 -0.47 0.16 -2.75 0.00 0.00 0.00 176.54 173.62 1dkn h PHE 396 N -1.30 0.25 -0.97 5.60 3.04 -1.32 0.28 116.94 122.52 1dkn h PHE 396 Ca -0.13 0.04 0.05 0.00 3.98 0.00 0.00 57.97 61.91 1dkn h PHE 396 Cb 0.95 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 1dkn h PHE 396 CO -0.00 -0.04 0.63 1.15 -2.02 0.00 0.00 178.31 178.03 1dkn h THR 397 N 0.28 1.12 0.01 4.41 2.02 -0.96 0.92 112.91 120.70 1dkn h THR 397 Ca 0.35 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1dkn h THR 397 Cb 0.55 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1dkn h THR 397 CO -0.43 0.21 -0.00 -0.61 0.37 0.00 0.00 175.52 175.05 1dkn h GLN 398 N 1.17 -0.01 -0.94 6.66 4.15 0.85 -0.93 115.11 126.06 1dkn h GLN 398 Ca 0.40 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.98 1dkn h GLN 398 Cb 0.10 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.70 1dkn h GLN 398 CO -0.14 0.29 0.54 0.82 -1.93 0.00 0.00 178.83 178.41 1dkn h ILE 399 N -0.32 0.77 -0.04 2.39 2.04 0.16 -1.29 117.51 121.22 1dkn h ILE 399 Ca -0.00 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1dkn h ILE 399 Cb 0.31 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1dkn h ILE 399 CO 0.00 0.14 -0.01 0.58 0.00 0.00 0.00 178.15 178.86 1dkn h VAL 400 N 0.76 1.30 -0.15 1.67 2.07 -0.61 -2.51 116.25 118.78 1dkn h VAL 400 Ca 0.51 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1dkn h VAL 400 Cb 0.69 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1dkn h VAL 400 CO -0.34 0.25 0.03 0.78 0.02 0.00 0.00 177.57 178.31 1dkn h ASN 401 N -0.28 0.19 1.35 0.57 2.35 -0.63 -1.18 115.58 117.95 1dkn h ASN 401 Ca 0.01 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1dkn h ASN 401 Cb 0.40 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1dkn h ASN 401 CO 0.00 0.20 -0.67 -0.33 -1.65 0.00 0.00 177.43 174.98 1dkn h GLU 402 N 0.21 0.00 0.00 0.81 5.08 -1.26 -3.33 114.58 116.09 1dkn h GLU 402 Ca 0.05 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.14 1dkn h GLU 402 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1dkn h GLU 402 CO -0.00 0.28 -1.55 0.00 -1.00 0.00 0.00 179.01 176.73 1dkn h ALA 403 N 1.66 0.69 -2.45 3.43 0.00 -1.02 -3.47 119.26 118.10 1dkn h ALA 403 Ca -0.04 -1.33 -0.51 0.00 0.00 0.00 0.00 54.91 53.04 1dkn h ALA 403 Cb 1.30 0.36 0.10 0.00 0.00 0.00 0.00 17.79 19.54 1dkn h ALA 403 CO 0.04 1.49 0.37 -0.98 0.00 0.00 0.00 179.25 180.17 1dkn s ARG 404 N -2.64 2.82 -0.39 0.00 1.70 -0.48 -4.75 118.95 115.21 1dkn s ARG 404 Ca -0.03 1.38 -0.04 0.00 -0.47 0.00 0.00 55.73 56.56 1dkn s ARG 404 Cb 0.08 -1.95 0.09 0.00 -0.57 0.00 0.00 34.95 32.60 1dkn s ARG 404 CO 0.82 -1.23 0.18 0.42 -1.08 0.00 0.00 175.30 174.41 1dkn s ILE 405 N -2.35 3.50 0.33 4.99 -1.09 -1.26 -4.98 121.20 120.33 1dkn s ILE 405 Ca 0.67 -1.73 0.08 0.00 -2.23 0.00 0.00 60.65 57.44 1dkn s ILE 405 Cb -0.20 -3.25 0.38 0.00 -1.58 0.00 0.00 42.46 37.82 1dkn s ILE 405 CO 0.41 -0.52 1.58 -0.65 -1.23 0.00 0.00 174.94 174.53 1dkn h PRO 406 N 8.14 0.03 0.00 2.79 0.11 -1.95 0.47 132.00 141.60 1dkn h PRO 406 Ca -0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1dkn h PRO 406 Cb 1.06 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1dkn h PRO 406 CO 0.68 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 1dkn h ALA 407 N 1.97 1.00 -0.20 -0.75 0.00 -1.96 -2.31 119.26 117.00 1dkn h ALA 407 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1dkn h ALA 407 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1dkn h ALA 407 CO -0.85 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.40 1dkn s SER 409 N -1.35 5.05 0.00 0.00 1.04 -0.87 -4.23 113.70 113.34 1dkn s SER 409 Ca 0.27 2.22 0.28 0.00 0.48 0.00 0.00 55.95 59.20 1dkn s SER 409 Cb 0.17 -2.58 1.67 0.00 0.10 0.00 0.00 66.02 65.38 1dkn s SER 409 CO 0.24 -1.68 2.01 0.18 0.98 0.00 0.00 173.24 174.97