#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkl s GLU 5 N 0.00 4.36 -0.07 0.54 2.12 -1.26 -4.98 118.70 119.40 1dkl s GLU 5 Ca 0.00 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.10 1dkl s GLU 5 Cb 0.00 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1dkl s GLU 5 CO 0.00 -0.42 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.73 1dkl s LEU 6 N 1.90 3.21 -0.06 2.70 1.43 -1.26 -1.70 118.68 124.90 1dkl s LEU 6 Ca 0.58 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.73 1dkl s LEU 6 Cb -0.28 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1dkl s LEU 6 CO 0.25 0.36 -0.23 -0.75 0.23 0.00 0.00 176.35 176.20 1dkl s LYS 7 N -0.77 2.63 -0.17 1.70 2.20 0.01 -4.92 119.74 120.43 1dkl s LYS 7 Ca 0.12 -0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 54.56 1dkl s LYS 7 Cb -0.11 -2.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1dkl s LYS 7 CO 0.02 0.38 1.04 -1.17 -0.36 0.00 0.00 175.35 175.26 1dkl s LEU 8 N -0.14 4.16 -0.08 5.43 2.96 -1.26 -0.58 118.68 129.17 1dkl s LEU 8 Ca -0.04 1.47 0.08 0.00 -0.22 0.00 0.00 54.13 55.42 1dkl s LEU 8 Cb -0.14 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 1dkl s LEU 8 CO 0.04 -0.59 0.05 -0.62 -1.32 0.00 0.00 176.35 173.91 1dkl n GLU 9 N 5.81 2.26 -3.74 1.98 1.02 -0.47 -4.76 120.64 122.73 1dkl n GLU 9 Ca 0.11 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1dkl n GLU 9 Cb 0.47 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.57 1dkl n GLU 9 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dkl s SER 10 N -3.95 -0.33 -0.06 1.62 0.15 -1.13 -4.71 113.70 105.29 1dkl s SER 10 Ca -0.04 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.13 1dkl s SER 10 Cb 0.03 0.59 0.02 0.00 -1.71 0.00 0.00 66.02 64.95 1dkl s SER 10 CO 0.37 -0.27 -0.06 -0.69 1.20 0.00 0.00 173.24 173.78 1dkl s VAL 11 N -0.41 0.75 -0.18 4.45 1.01 -0.42 -0.41 120.40 125.19 1dkl s VAL 11 Ca -0.05 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1dkl s VAL 11 Cb -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1dkl s VAL 11 CO 0.02 0.28 -0.19 -0.69 0.00 0.00 0.00 175.10 174.52 1dkl s VAL 12 N 1.08 2.14 -0.19 2.92 1.01 0.48 -1.06 120.40 126.77 1dkl s VAL 12 Ca -0.08 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1dkl s VAL 12 Cb -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1dkl s VAL 12 CO -0.01 0.53 -0.13 -0.63 0.00 0.00 0.00 175.10 174.87 1dkl s ILE 13 N 1.26 2.72 -0.37 2.22 1.01 0.15 -0.37 121.20 127.82 1dkl s ILE 13 Ca 0.04 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1dkl s ILE 13 Cb -0.13 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1dkl s ILE 13 CO -0.12 0.49 0.20 -0.69 0.00 0.00 0.00 174.94 174.82 1dkl s VAL 14 N 1.28 4.56 0.02 2.92 1.01 -0.34 0.18 120.40 130.03 1dkl s VAL 14 Ca 0.04 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1dkl s VAL 14 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1dkl s VAL 14 CO -0.07 -0.23 -0.08 -0.55 0.00 0.00 0.00 175.10 174.18 1dkl s SER 15 N 1.55 4.55 0.45 3.32 0.15 0.60 -1.02 113.70 123.32 1dkl s SER 15 Ca 0.02 -0.19 -0.14 0.00 0.70 0.00 0.00 55.95 56.34 1dkl s SER 15 Cb -0.19 -1.02 -0.07 0.00 -1.71 0.00 0.00 66.02 63.02 1dkl s SER 15 CO 0.07 0.27 0.87 -0.60 1.20 0.00 0.00 173.24 175.05 1dkl s ARG 16 N -1.53 3.88 0.94 5.44 3.52 -0.41 0.40 118.95 131.19 1dkl s ARG 16 Ca 0.18 0.72 -0.12 0.00 -0.13 0.00 0.00 55.73 56.38 1dkl s ARG 16 Cb -0.11 -2.27 0.15 0.00 -1.56 0.00 0.00 34.95 31.16 1dkl s ARG 16 CO 0.08 -0.14 1.09 -3.38 -0.81 0.00 0.00 175.30 172.14 1dkl s HIS 17 N -2.47 2.13 0.42 5.12 -3.43 -0.68 -2.75 115.29 113.63 1dkl s HIS 17 Ca 0.55 1.28 -0.07 0.00 -0.80 0.00 0.00 55.06 56.02 1dkl s HIS 17 Cb -0.10 -3.17 0.10 0.00 -1.43 0.00 0.00 32.58 27.97 1dkl s HIS 17 CO 0.30 -2.64 0.46 0.41 -2.00 0.00 0.00 174.74 171.28 1dkl n GLY 18 N -0.78 -1.89 3.68 -1.38 0.00 -1.26 -1.77 105.19 101.80 1dkl n GLY 18 Ca 0.07 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 1dkl n GLY 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dkl n VAL 19 N -3.03 0.39 -4.47 1.61 0.31 -1.26 -4.80 118.33 107.08 1dkl n VAL 19 Ca 0.06 -0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 64.08 1dkl n VAL 19 Cb 0.22 -1.97 -0.13 0.00 -0.91 0.00 0.00 33.84 31.04 1dkl n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dkl s ARG 20 N 2.90 1.23 0.13 5.55 1.70 -1.26 -1.81 118.95 127.39 1dkl s ARG 20 Ca 0.85 -1.00 -0.31 0.00 -0.47 0.00 0.00 55.73 54.79 1dkl s ARG 20 Cb -0.57 -1.39 -0.09 0.00 -0.57 0.00 0.00 34.95 32.33 1dkl s ARG 20 CO 0.41 0.34 1.48 0.00 -1.08 0.00 0.00 175.30 176.46 1dkl s ALA 21 N -0.95 3.68 0.76 7.88 0.00 -0.19 -4.92 121.76 128.02 1dkl s ALA 21 Ca 0.06 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 1dkl s ALA 21 Cb -0.09 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.50 1dkl s ALA 21 CO 0.03 -0.72 1.11 -1.25 0.00 0.00 0.00 175.76 174.93 1dkl s PRO 22 N 1.24 2.24 1.27 0.00 0.04 -1.26 -0.68 135.00 137.85 1dkl s PRO 22 Ca 0.67 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 1dkl s PRO 22 Cb -0.40 -1.89 0.31 0.00 0.04 0.00 0.00 34.50 32.57 1dkl s PRO 22 CO 0.31 -1.68 1.04 -0.08 0.04 0.00 0.00 177.00 176.62 1dkl s THR 23 N -2.66 1.52 0.40 1.26 -1.32 -1.26 -4.15 115.64 109.42 1dkl s THR 23 Ca 0.64 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.85 1dkl s THR 23 Cb -0.20 -2.30 -0.09 0.00 -1.51 0.00 0.00 72.50 68.40 1dkl s THR 23 CO 0.52 0.00 1.39 -0.75 -2.21 0.00 0.00 174.62 173.57 1dkl s LYS 24 N -5.17 3.99 0.14 7.08 2.20 -1.26 -4.91 119.74 121.81 1dkl s LYS 24 Ca 0.70 2.36 -0.32 0.00 -0.36 0.00 0.00 55.97 58.34 1dkl s LYS 24 Cb -0.13 -2.84 -0.11 0.00 -1.51 0.00 0.00 37.83 33.24 1dkl s LYS 24 CO 0.58 -0.55 1.78 0.00 -0.36 0.00 0.00 175.35 176.80 1dkl n ALA 25 N 0.24 2.27 -1.91 3.13 0.00 -1.26 -4.99 120.51 118.00 1dkl n ALA 25 Ca 0.03 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.53 1dkl n ALA 25 Cb 0.42 -2.55 0.08 0.00 0.00 0.00 0.00 19.45 17.40 1dkl n ALA 25 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dkl s THR 26 N 2.14 2.09 0.23 0.00 -4.23 -1.26 -4.92 115.64 109.69 1dkl s THR 26 Ca 0.80 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 61.19 1dkl s THR 26 Cb -0.51 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.50 1dkl s THR 26 CO 0.36 -0.01 1.82 -0.61 -0.54 0.00 0.00 174.62 175.64 1dkl h GLN 27 N -0.95 1.18 -0.23 3.99 5.75 -1.99 -2.24 115.11 120.62 1dkl h GLN 27 Ca -0.46 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 57.88 1dkl h GLN 27 Cb 1.33 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 1dkl h GLN 27 CO 0.65 0.92 0.08 1.25 -2.65 0.00 0.00 178.83 179.08 1dkl h LEU 28 N 1.17 0.08 -1.57 -2.39 6.46 -1.98 -0.74 115.31 116.34 1dkl h LEU 28 Ca 0.28 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 58.16 1dkl h LEU 28 Cb 0.15 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 1dkl h LEU 28 CO -0.03 0.08 0.43 0.24 -0.62 0.00 0.00 178.44 178.53 1dkl h MET 29 N 0.18 0.48 0.00 1.25 2.86 -1.81 -1.28 114.93 116.61 1dkl h MET 29 Ca 0.10 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1dkl h MET 29 Cb 0.07 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1dkl h MET 29 CO -0.11 0.31 -0.47 1.96 1.06 0.00 0.00 176.91 179.67 1dkl h GLN 30 N 0.49 0.00 0.00 1.72 4.20 -0.78 -3.27 115.11 117.47 1dkl h GLN 30 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1dkl h GLN 30 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1dkl h GLN 30 CO -0.09 0.47 -0.18 -0.25 -0.67 0.00 0.00 178.83 178.11 1dkl n ASP 31 N -3.23 0.59 -1.01 1.46 10.43 -0.36 -3.76 116.55 120.66 1dkl n ASP 31 Ca 0.02 0.39 0.12 0.00 2.57 0.00 0.00 54.79 57.89 1dkl n ASP 31 Cb 0.71 -0.44 0.15 0.00 1.84 0.00 0.00 41.12 43.38 1dkl n ASP 31 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1dkl n VAL 32 N -2.00 0.16 -3.73 2.53 0.24 -0.98 -1.35 118.33 113.19 1dkl n VAL 32 Ca 0.05 -0.57 -0.12 0.00 -2.04 0.00 0.00 64.34 61.66 1dkl n VAL 32 Cb 0.40 1.30 -0.11 0.00 -1.47 0.00 0.00 33.84 33.97 1dkl n VAL 32 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1dkl s THR 33 N -1.84 -0.01 -0.49 3.34 -1.32 -1.25 -4.27 115.64 109.80 1dkl s THR 33 Ca 0.32 0.03 0.26 0.00 -1.21 0.00 0.00 61.69 61.08 1dkl s THR 33 Cb 0.21 -0.54 0.29 0.00 -1.51 0.00 0.00 72.50 70.95 1dkl s THR 33 CO 0.31 0.01 1.76 1.55 -2.21 0.00 0.00 174.62 176.04 1dkl h PRO 34 N 5.95 0.00 -6.99 7.08 0.13 -1.77 -3.46 132.00 132.95 1dkl h PRO 34 Ca -0.29 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.34 1dkl h PRO 34 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 1dkl h PRO 34 CO 0.28 0.00 0.17 -0.51 -0.23 0.00 0.00 178.00 177.70 1dkl s ASP 35 N -4.76 6.31 -0.02 1.44 1.01 -1.26 -5.05 116.67 114.33 1dkl s ASP 35 Ca 0.07 1.05 -0.23 0.00 0.71 0.00 0.00 52.55 54.14 1dkl s ASP 35 Cb 0.10 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 1dkl s ASP 35 CO 0.52 -0.59 0.70 0.00 0.21 0.00 0.00 175.17 176.01 1dkl s ALA 36 N -2.75 3.37 0.00 5.23 0.00 -1.26 -5.01 121.76 121.34 1dkl s ALA 36 Ca 0.49 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1dkl s ALA 36 Cb -0.10 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1dkl s ALA 36 CO 0.44 -0.01 1.33 -1.58 0.00 0.00 0.00 175.76 175.94 1dkl s TRP 37 N 0.38 3.04 0.43 0.00 0.52 -1.26 -4.97 118.94 117.07 1dkl s TRP 37 Ca 0.37 0.98 -0.26 0.00 0.02 0.00 0.00 56.10 57.21 1dkl s TRP 37 Cb -0.19 -3.58 -0.09 0.00 -1.15 0.00 0.00 33.47 28.47 1dkl s TRP 37 CO 0.19 -2.03 1.43 -1.25 0.02 0.00 0.00 176.95 175.32 1dkl s PRO 38 N 2.09 3.80 0.37 4.98 0.04 -1.26 -4.99 135.00 140.03 1dkl s PRO 38 Ca 0.61 2.44 -0.12 0.00 0.04 0.00 0.00 61.00 63.97 1dkl s PRO 38 Cb -0.30 -2.74 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 1dkl s PRO 38 CO 0.26 -0.73 0.75 0.95 0.04 0.00 0.00 177.00 178.27 1dkl s THR 39 N -1.19 4.76 -0.25 1.26 -4.23 -1.26 -5.07 115.64 109.66 1dkl s THR 39 Ca 0.59 0.72 -0.09 0.00 -1.18 0.00 0.00 61.69 61.73 1dkl s THR 39 Cb -0.44 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 69.68 1dkl s THR 39 CO 0.57 -0.38 0.12 0.26 -0.54 0.00 0.00 174.62 174.65 1dkl s TRP 40 N -2.21 3.17 -1.25 3.99 0.52 -1.26 -5.01 118.94 116.88 1dkl s TRP 40 Ca 0.52 -0.13 -0.19 0.00 0.02 0.00 0.00 56.10 56.32 1dkl s TRP 40 Cb -0.10 -2.27 0.06 0.00 -1.15 0.00 0.00 33.47 30.00 1dkl s TRP 40 CO 0.26 -0.20 1.70 -1.25 0.02 0.00 0.00 176.95 177.48 1dkl s PRO 41 N 1.49 3.88 0.00 4.98 0.04 -1.26 -4.73 135.00 139.41 1dkl s PRO 41 Ca 0.06 -1.83 0.00 0.00 0.04 0.00 0.00 61.00 59.27 1dkl s PRO 41 Cb -0.15 -5.50 0.00 0.00 0.04 0.00 0.00 34.50 28.89 1dkl s PRO 41 CO 0.06 -2.30 0.00 1.55 0.04 0.00 0.00 177.00 176.35 1dkl n VAL 42 N 6.52 0.00 -1.45 -0.36 3.14 -1.26 -5.01 118.33 119.91 1dkl n VAL 42 Ca 0.46 0.00 -0.49 0.00 -2.96 0.00 0.00 64.34 61.35 1dkl n VAL 42 Cb 0.47 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.21 1dkl n VAL 42 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1dkl n LYS 43 N -0.34 0.29 -2.47 1.45 4.81 -1.26 -4.82 118.16 115.82 1dkl n LYS 43 Ca 0.00 0.10 -0.42 0.00 -0.87 0.00 0.00 58.31 57.13 1dkl n LYS 43 Cb 0.00 -1.26 -0.03 0.00 0.02 0.00 0.00 35.03 33.75 1dkl n LYS 43 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1dkl s LEU 44 N 2.05 4.42 0.00 3.14 1.43 -1.26 -3.12 118.68 125.34 1dkl s LEU 44 Ca 0.67 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1dkl s LEU 44 Cb -0.93 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 41.69 1dkl s LEU 44 CO 0.56 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1dkl n GLY 45 N 2.66 0.88 3.94 -3.19 0.00 0.15 -4.90 105.19 104.73 1dkl n GLY 45 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1dkl n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dkl s TRP 46 N -2.24 3.49 0.21 1.61 0.52 -1.18 -4.65 118.94 116.70 1dkl s TRP 46 Ca 0.00 0.34 -0.30 0.00 0.02 0.00 0.00 56.10 56.16 1dkl s TRP 46 Cb 0.00 -1.88 -0.10 0.00 -1.15 0.00 0.00 33.47 30.34 1dkl s TRP 46 CO 0.00 0.18 1.44 -1.17 0.02 0.00 0.00 176.95 177.42 1dkl s LEU 47 N -4.13 4.38 0.46 2.99 2.96 -1.26 -1.02 118.68 123.06 1dkl s LEU 47 Ca 0.40 2.59 -0.14 0.00 -0.22 0.00 0.00 54.13 56.76 1dkl s LEU 47 Cb -0.10 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1dkl s LEU 47 CO 0.34 -0.70 0.88 0.42 -1.32 0.00 0.00 176.35 175.97 1dkl s THR 48 N 0.37 4.66 0.39 3.68 -4.23 -0.75 -4.88 115.64 114.89 1dkl s THR 48 Ca 0.62 0.93 0.06 0.00 -1.18 0.00 0.00 61.69 62.11 1dkl s THR 48 Cb -0.41 -3.72 0.26 0.00 1.34 0.00 0.00 72.50 69.97 1dkl s THR 48 CO 0.39 -0.60 2.05 1.55 -0.54 0.00 0.00 174.62 177.46 1dkl h PRO 49 N 1.10 0.61 -0.79 3.99 0.13 -1.94 0.02 132.00 135.13 1dkl h PRO 49 Ca -0.47 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1dkl h PRO 49 Cb 1.19 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1dkl h PRO 49 CO 0.63 0.41 0.36 -0.09 -0.23 0.00 0.00 178.00 179.08 1dkl h ARG 50 N 0.63 1.15 -0.68 0.86 2.43 -1.93 -0.62 114.38 116.22 1dkl h ARG 50 Ca 0.17 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1dkl h ARG 50 Cb -0.07 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 1dkl h ARG 50 CO -0.04 0.89 0.45 0.78 -1.51 0.00 0.00 179.97 180.55 1dkl h GLY 51 N 1.16 0.95 1.06 2.80 0.00 -1.25 -1.61 103.07 106.17 1dkl h GLY 51 Ca 0.27 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1dkl h GLY 51 CO -0.03 0.33 0.08 -1.33 0.00 0.00 0.00 176.54 175.59 1dkl h GLY 52 N 0.89 1.15 0.92 4.60 0.00 -0.05 -2.70 103.07 107.88 1dkl h GLY 52 Ca 0.25 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.81 1dkl h GLY 52 CO -0.06 0.73 0.13 0.83 0.00 0.00 0.00 176.54 178.17 1dkl h GLU 53 N 0.98 0.27 -0.77 4.80 5.08 -0.33 -0.55 114.58 124.06 1dkl h GLU 53 Ca 0.19 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1dkl h GLU 53 Cb 0.47 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1dkl h GLU 53 CO 0.02 0.18 0.50 -0.07 -1.00 0.00 0.00 179.01 178.64 1dkl h LEU 54 N 0.28 0.78 -0.26 1.33 3.38 -1.25 -0.82 115.31 118.74 1dkl h LEU 54 Ca 0.10 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1dkl h LEU 54 Cb 0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1dkl h LEU 54 CO -0.06 0.52 -0.22 0.40 0.09 0.00 0.00 178.44 179.17 1dkl h ILE 55 N 0.90 1.31 -0.92 1.22 1.08 -1.11 -2.87 117.51 117.12 1dkl h ILE 55 Ca 0.32 -1.38 0.10 0.00 -0.39 0.00 0.00 64.86 63.51 1dkl h ILE 55 Cb 0.12 1.63 -0.08 0.00 -3.07 0.00 0.00 36.82 35.42 1dkl h ILE 55 CO -0.10 0.43 0.56 0.00 -0.69 0.00 0.00 178.15 178.35 1dkl h ALA 56 N 0.69 1.34 -0.41 1.87 0.00 -0.05 0.15 119.26 122.85 1dkl h ALA 56 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1dkl h ALA 56 Cb 0.77 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1dkl h ALA 56 CO 0.06 0.19 0.22 1.88 0.00 0.00 0.00 179.25 181.60 1dkl h TYR 57 N 0.92 0.54 -0.07 0.00 0.05 -1.06 0.11 116.97 117.46 1dkl h TYR 57 Ca 0.44 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.10 1dkl h TYR 57 Cb 0.39 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1dkl h TYR 57 CO -0.03 0.38 -0.50 -0.07 -1.05 0.00 0.00 178.16 176.89 1dkl h LEU 58 N 0.56 0.19 -0.15 3.88 4.07 -0.55 -1.48 115.31 121.84 1dkl h LEU 58 Ca 0.15 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 1dkl h LEU 58 Cb 0.02 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1dkl h LEU 58 CO -0.02 0.66 -0.29 1.23 -1.08 0.00 0.00 178.44 178.94 1dkl h GLY 59 N 1.40 0.50 0.91 0.83 0.00 0.22 -0.74 103.07 106.18 1dkl h GLY 59 Ca 0.00 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 46.77 1dkl h GLY 59 CO 0.07 0.53 0.39 0.84 0.00 0.00 0.00 176.54 178.37 1dkl h HIS 60 N 0.07 0.73 -0.49 5.60 -0.00 -0.76 -0.14 115.15 120.17 1dkl h HIS 60 Ca 0.01 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1dkl h HIS 60 Cb 0.88 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1dkl h HIS 60 CO 0.10 0.43 0.14 -0.92 -0.00 0.00 0.00 177.93 177.68 1dkl h TYR 61 N 0.78 0.80 -0.70 5.26 3.20 -1.24 -1.97 116.97 123.10 1dkl h TYR 61 Ca 0.24 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1dkl h TYR 61 Cb -0.01 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 1dkl h TYR 61 CO -0.05 0.71 0.39 1.96 -1.64 0.00 0.00 178.16 179.53 1dkl h GLN 62 N 0.67 0.97 -0.04 1.82 1.08 -0.50 -0.95 115.11 118.16 1dkl h GLN 62 Ca 0.16 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1dkl h GLN 62 Cb 0.29 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1dkl h GLN 62 CO -0.00 0.73 -0.07 -0.09 -0.95 0.00 0.00 178.83 178.44 1dkl h ARG 63 N 0.96 -0.10 -0.65 1.46 9.65 -0.77 0.45 114.38 125.38 1dkl h ARG 63 Ca 0.25 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.17 1dkl h ARG 63 Cb 0.03 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 1dkl h ARG 63 CO -0.04 -0.07 0.40 1.96 2.80 0.00 0.00 179.97 185.02 1dkl h GLN 64 N -0.10 0.75 -0.52 0.20 4.20 -1.15 -0.03 115.11 118.46 1dkl h GLN 64 Ca 0.04 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1dkl h GLN 64 Cb 0.16 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1dkl h GLN 64 CO -0.10 0.50 0.07 -0.09 -0.67 0.00 0.00 178.83 178.54 1dkl h ARG 65 N 0.77 0.86 0.00 1.46 1.12 -0.70 -1.71 114.38 116.18 1dkl h ARG 65 Ca 0.27 -0.24 -0.13 0.00 -1.11 0.00 0.00 59.98 58.77 1dkl h ARG 65 Cb 0.05 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 1dkl h ARG 65 CO -0.12 0.85 -0.60 -0.07 -3.11 0.00 0.00 179.97 176.92 1dkl h LEU 66 N 0.74 0.00 -0.31 3.80 -0.00 0.23 -2.33 115.31 117.44 1dkl h LEU 66 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.89 1dkl h LEU 66 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1dkl h LEU 66 CO 0.01 0.60 -0.38 0.58 -0.00 0.00 0.00 178.44 179.26 1dkl h VAL 67 N 0.00 1.29 0.00 1.22 2.07 -0.87 0.74 116.25 120.70 1dkl h VAL 67 Ca -0.01 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 1dkl h VAL 67 Cb 1.09 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1dkl h VAL 67 CO 0.08 0.51 -0.13 0.00 0.02 0.00 0.00 177.57 178.05 1dkl h ALA 68 N 0.71 1.30 -0.02 1.67 0.00 -1.09 -1.02 119.26 120.82 1dkl h ALA 68 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dkl h ALA 68 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1dkl h ALA 68 CO 0.09 0.16 -0.03 -0.25 0.00 0.00 0.00 179.25 179.22 1dkl n ASP 69 N -3.68 1.88 -0.09 0.00 8.00 -0.90 -4.95 116.55 116.82 1dkl n ASP 69 Ca -0.02 -1.60 -0.01 0.00 0.71 0.00 0.00 54.79 53.87 1dkl n ASP 69 Cb 0.24 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1dkl n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dkl n GLY 70 N 1.24 0.49 0.11 0.44 0.00 -0.39 -4.55 105.19 102.53 1dkl n GLY 70 Ca 0.17 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 1dkl n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dkl h LEU 71 N 0.00 0.30 -9.07 0.99 6.46 -1.09 -3.47 115.31 109.43 1dkl h LEU 71 Ca -0.02 -0.53 -0.57 0.00 -0.12 0.00 0.00 57.88 56.63 1dkl h LEU 71 Cb 0.09 -0.10 -0.15 0.00 -0.73 0.00 0.00 40.66 39.77 1dkl h LEU 71 CO 0.04 1.46 -0.77 -0.76 -0.62 0.00 0.00 178.44 177.79 1dkl s LEU 72 N -6.78 2.54 0.38 2.25 1.43 -1.15 -5.00 118.68 112.36 1dkl s LEU 72 Ca -0.12 -0.98 -0.24 0.00 -1.03 0.00 0.00 54.13 51.76 1dkl s LEU 72 Cb 0.07 -0.98 -0.10 0.00 0.03 0.00 0.00 46.19 45.21 1dkl s LEU 72 CO 0.82 -0.00 0.97 0.00 0.23 0.00 0.00 176.35 178.37 1dkl s ALA 73 N -2.43 3.11 0.17 4.21 0.00 -1.26 -4.25 121.76 121.31 1dkl s ALA 73 Ca 0.25 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 1dkl s ALA 73 Cb -0.05 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 19.98 1dkl s ALA 73 CO 0.11 0.06 1.65 -0.22 0.00 0.00 0.00 175.76 177.37 1dkl h LYS 74 N 2.51 -0.05 -5.26 0.00 1.63 -1.97 -3.44 116.57 109.98 1dkl h LYS 74 Ca -0.48 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 58.94 1dkl h LYS 74 Cb 1.19 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.69 1dkl h LYS 74 CO 0.63 -0.04 -0.70 -1.59 -3.45 0.00 0.00 179.45 174.30 1dkl s LYS 75 N -6.19 1.24 0.00 1.90 -2.85 -1.26 -5.10 119.74 107.48 1dkl s LYS 75 Ca -0.14 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.26 1dkl s LYS 75 Cb 0.15 -0.82 0.00 0.00 -2.06 0.00 0.00 37.83 35.10 1dkl s LYS 75 CO 0.71 0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.64 1dkl n GLY 76 N -0.33 -0.62 3.82 0.59 0.00 -1.26 -4.95 105.19 102.44 1dkl n GLY 76 Ca -0.08 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 1dkl n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkl s PRO 78 N -1.94 3.08 0.73 0.00 0.04 -1.26 -4.94 135.00 130.69 1dkl s PRO 78 Ca 0.41 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 1dkl s PRO 78 Cb -0.16 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1dkl s PRO 78 CO 0.20 -1.15 0.55 1.04 0.04 0.00 0.00 177.00 177.68 1dkl n GLN 79 N -1.34 0.29 -1.82 4.56 1.13 -1.26 -4.84 117.38 114.10 1dkl n GLN 79 Ca 0.12 0.14 -0.42 0.00 -1.94 0.00 0.00 57.00 54.91 1dkl n GLN 79 Cb 0.48 -1.85 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 1dkl n GLN 79 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1dkl s SER 80 N -1.50 6.46 0.00 1.08 0.15 -1.26 -1.91 113.70 116.72 1dkl s SER 80 Ca 0.66 2.81 0.00 0.00 0.70 0.00 0.00 55.95 60.12 1dkl s SER 80 Cb -0.35 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 1dkl s SER 80 CO 0.58 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1dkl n GLY 81 N 3.13 0.62 0.07 9.45 0.00 -1.26 -4.87 105.19 112.33 1dkl n GLY 81 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1dkl n GLY 81 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1dkl h GLN 82 N 1.62 0.04 -4.95 1.61 4.15 -1.71 -3.42 115.11 112.46 1dkl h GLN 82 Ca 0.00 -0.07 -0.66 0.00 0.77 0.00 0.00 58.65 58.69 1dkl h GLN 82 Cb 0.07 0.03 -0.35 0.00 0.21 0.00 0.00 27.48 27.43 1dkl h GLN 82 CO 0.00 1.00 -0.85 0.08 -1.93 0.00 0.00 178.83 177.13 1dkl s VAL 83 N -2.69 1.97 -0.10 2.39 1.01 -1.26 -1.53 120.40 120.18 1dkl s VAL 83 Ca -0.00 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1dkl s VAL 83 Cb 0.09 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1dkl s VAL 83 CO 0.83 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 176.22 1dkl s ALA 84 N 1.31 2.56 -0.14 5.51 0.00 0.66 -4.91 121.76 126.75 1dkl s ALA 84 Ca 0.03 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1dkl s ALA 84 Cb -0.14 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.92 1dkl s ALA 84 CO -0.11 0.35 -0.18 0.42 0.00 0.00 0.00 175.76 176.24 1dkl s ILE 85 N 0.03 1.77 -0.06 0.00 1.01 -1.26 -0.67 121.20 122.01 1dkl s ILE 85 Ca -0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1dkl s ILE 85 Cb -0.15 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1dkl s ILE 85 CO 0.04 0.49 -0.23 -0.63 0.00 0.00 0.00 174.94 174.61 1dkl s ILE 86 N 1.12 2.21 0.05 2.92 1.01 0.22 -0.45 121.20 128.28 1dkl s ILE 86 Ca -0.02 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1dkl s ILE 86 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1dkl s ILE 86 CO -0.06 0.57 -0.07 0.00 0.00 0.00 0.00 174.94 175.38 1dkl s ALA 87 N -0.15 0.61 0.93 9.38 0.00 -0.24 0.12 121.76 132.41 1dkl s ALA 87 Ca -0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1dkl s ALA 87 Cb -0.14 0.08 0.15 0.00 0.00 0.00 0.00 23.12 23.20 1dkl s ALA 87 CO 0.04 -0.07 1.09 0.34 0.00 0.00 0.00 175.76 177.15 1dkl s ASP 88 N -1.86 3.22 0.54 0.00 -1.08 -0.93 -4.44 116.67 112.12 1dkl s ASP 88 Ca -0.06 1.43 0.32 0.00 -0.52 0.00 0.00 52.55 53.73 1dkl s ASP 88 Cb -0.07 -2.11 1.47 0.00 -1.46 0.00 0.00 42.92 40.75 1dkl s ASP 88 CO -0.01 -2.79 2.03 -0.37 0.52 0.00 0.00 175.17 174.55 1dkl h VAL 89 N -1.66 0.21 -4.11 1.11 -1.51 -1.92 -3.36 116.25 105.02 1dkl h VAL 89 Ca -0.51 -0.55 -0.56 0.00 -1.23 0.00 0.00 66.70 63.85 1dkl h VAL 89 Cb 1.29 1.45 0.16 0.00 -2.13 0.00 0.00 31.29 32.06 1dkl h VAL 89 CO 0.55 0.06 0.51 -1.81 -1.23 0.00 0.00 177.57 175.65 1dkl s ASP 90 N -5.79 4.61 0.27 4.19 1.01 -1.26 -4.83 116.67 114.86 1dkl s ASP 90 Ca -0.01 2.60 -0.05 0.00 0.71 0.00 0.00 52.55 55.80 1dkl s ASP 90 Cb 0.11 -2.62 0.32 0.00 1.01 0.00 0.00 42.92 41.74 1dkl s ASP 90 CO 0.55 -2.00 1.94 1.05 0.21 0.00 0.00 175.17 176.92 1dkl h GLU 91 N 0.51 1.25 -0.68 8.23 -0.00 -1.92 -1.97 114.58 120.00 1dkl h GLU 91 Ca -0.51 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.36 58.76 1dkl h GLU 91 Cb 1.33 -0.28 -0.03 0.00 -0.00 0.00 0.00 28.75 29.77 1dkl h GLU 91 CO 0.53 0.83 0.37 0.07 -0.00 0.00 0.00 179.01 180.81 1dkl h ARG 92 N 1.28 0.94 0.00 1.06 0.11 -1.91 -0.48 114.38 115.38 1dkl h ARG 92 Ca 0.35 -0.10 -0.23 0.00 0.10 0.00 0.00 59.98 60.10 1dkl h ARG 92 Cb -0.14 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 30.75 1dkl h ARG 92 CO -0.07 0.69 -0.95 1.79 0.10 0.00 0.00 179.97 181.52 1dkl h THR 93 N 0.94 1.40 -0.04 0.08 1.35 -1.74 -2.40 112.91 112.50 1dkl h THR 93 Ca 0.24 -2.44 -0.01 0.00 -0.55 0.00 0.00 66.41 63.65 1dkl h THR 93 Cb 0.03 2.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1dkl h THR 93 CO -0.04 0.73 0.00 0.03 -0.25 0.00 0.00 175.52 175.99 1dkl h ARG 94 N 0.24 0.07 0.00 4.72 3.08 -0.96 -1.80 114.38 119.73 1dkl h ARG 94 Ca -0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1dkl h ARG 94 Cb 1.59 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1dkl h ARG 94 CO 0.17 0.33 -0.07 0.87 -1.07 0.00 0.00 179.97 180.20 1dkl h LYS 95 N -0.21 0.00 -0.18 0.04 1.79 -1.18 0.46 116.57 117.30 1dkl h LYS 95 Ca 0.01 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.26 1dkl h LYS 95 Cb 0.30 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1dkl h LYS 95 CO 0.00 0.07 -0.74 1.15 -1.08 0.00 0.00 179.45 178.85 1dkl h THR 96 N 0.00 1.27 -0.63 -0.16 2.02 -1.14 -0.30 112.91 113.97 1dkl h THR 96 Ca -0.00 -1.92 -0.09 0.00 0.77 0.00 0.00 66.41 65.17 1dkl h THR 96 Cb 0.22 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1dkl h THR 96 CO 0.01 0.62 0.05 1.23 0.37 0.00 0.00 175.52 177.79 1dkl h GLY 97 N 0.57 1.17 0.93 2.16 0.00 -0.20 -0.89 103.07 106.81 1dkl h GLY 97 Ca -0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 47.33 46.41 1dkl h GLY 97 CO 0.15 0.76 -0.01 0.83 0.00 0.00 0.00 176.54 178.27 1dkl h GLU 98 N 0.99 0.66 -0.76 4.80 5.08 -0.90 -2.12 114.58 122.32 1dkl h GLU 98 Ca 0.18 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1dkl h GLU 98 Cb 0.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1dkl h GLU 98 CO 0.02 0.77 0.31 0.00 -1.00 0.00 0.00 179.01 179.11 1dkl h ALA 99 N 0.86 0.99 -0.45 3.43 0.00 -0.89 -0.83 119.26 122.38 1dkl h ALA 99 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dkl h ALA 99 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1dkl h ALA 99 CO 0.02 0.62 0.17 0.35 0.00 0.00 0.00 179.25 180.41 1dkl h PHE 100 N 1.10 0.69 -0.85 0.00 3.04 -1.02 -2.08 116.94 117.82 1dkl h PHE 100 Ca 0.25 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 1dkl h PHE 100 Cb 0.21 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.48 1dkl h PHE 100 CO 0.02 0.60 0.43 0.00 -2.02 0.00 0.00 178.31 177.34 1dkl h ALA 101 N 1.02 1.15 -0.58 2.41 0.00 -1.09 0.57 119.26 122.74 1dkl h ALA 101 Ca 0.15 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1dkl h ALA 101 Cb 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1dkl h ALA 101 CO -0.01 0.66 0.38 0.00 0.00 0.00 0.00 179.25 180.28 1dkl h ALA 102 N 1.26 1.82 0.17 0.00 0.00 -0.69 -0.94 119.26 120.89 1dkl h ALA 102 Ca 0.30 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.84 1dkl h ALA 102 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1dkl h ALA 102 CO -0.04 0.09 -1.76 0.78 0.00 0.00 0.00 179.25 178.32 1dkl h GLY 103 N 0.56 0.42 1.03 0.00 0.00 -0.69 -3.02 103.07 101.37 1dkl h GLY 103 Ca 0.25 -1.07 -0.04 0.00 0.00 0.00 0.00 47.33 46.47 1dkl h GLY 103 CO -0.07 0.94 0.35 -2.00 0.00 0.00 0.00 176.54 175.75 1dkl h LEU 104 N 0.06 1.04 -5.37 3.11 5.85 -0.67 -3.07 115.31 116.27 1dkl h LEU 104 Ca -0.35 -0.15 -0.29 0.00 0.84 0.00 0.00 57.88 57.93 1dkl h LEU 104 Cb 2.06 -0.27 -0.22 0.00 0.37 0.00 0.00 40.66 42.60 1dkl h LEU 104 CO 0.15 0.90 -0.64 0.00 -0.34 0.00 0.00 178.44 178.52 1dkl n ALA 105 N -2.41 -0.46 -1.71 1.25 0.00 -0.38 -4.70 120.51 112.10 1dkl n ALA 105 Ca 0.07 -1.72 -0.43 0.00 0.00 0.00 0.00 53.44 51.36 1dkl n ALA 105 Cb 0.16 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1dkl n ALA 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dkl n PRO 106 N 2.55 2.46 -1.02 0.00 -0.04 -1.14 -2.38 135.00 135.44 1dkl n PRO 106 Ca 0.19 0.88 -0.01 0.00 -0.04 0.00 0.00 63.50 64.53 1dkl n PRO 106 Cb 0.55 -2.65 -0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1dkl n PRO 106 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1dkl n ASP 107 N 2.77 -3.25 -4.82 3.54 10.43 -1.26 -5.03 116.55 118.93 1dkl n ASP 107 Ca 0.12 0.02 -0.24 0.00 2.57 0.00 0.00 54.79 57.26 1dkl n ASP 107 Cb 0.34 -0.80 -0.05 0.00 1.84 0.00 0.00 41.12 42.45 1dkl n ASP 107 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dkl s ALA 109 N -1.91 3.48 -0.24 0.00 0.00 -1.26 -4.98 121.76 116.84 1dkl s ALA 109 Ca 0.32 -2.48 0.01 0.00 0.00 0.00 0.00 51.96 49.80 1dkl s ALA 109 Cb -0.09 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.40 1dkl s ALA 109 CO 0.24 -2.52 -0.11 0.42 0.00 0.00 0.00 175.76 173.80 1dkl s ILE 110 N 2.42 2.42 0.14 0.00 1.01 -1.26 -5.08 121.20 120.86 1dkl s ILE 110 Ca 0.18 -1.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 1dkl s ILE 110 Cb -0.17 -2.28 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 1dkl s ILE 110 CO 0.01 0.16 1.17 -0.89 0.00 0.00 0.00 174.94 175.39 1dkl s THR 111 N 1.22 3.82 -0.47 2.92 2.01 -1.26 -5.01 115.64 118.88 1dkl s THR 111 Ca -0.03 1.45 -0.17 0.00 0.31 0.00 0.00 61.69 63.25 1dkl s THR 111 Cb -0.17 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.46 1dkl s THR 111 CO -0.06 0.20 0.48 -0.69 -0.69 0.00 0.00 174.62 173.86 1dkl s VAL 112 N 0.28 5.07 -0.00 3.82 1.01 -1.26 -4.13 120.40 125.18 1dkl s VAL 112 Ca 0.54 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1dkl s VAL 112 Cb -0.31 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1dkl s VAL 112 CO 0.34 -0.60 0.83 -1.00 0.00 0.00 0.00 175.10 174.66 1dkl s HIS 113 N 2.14 3.66 0.20 5.22 3.76 0.41 -4.91 115.29 125.77 1dkl s HIS 113 Ca 0.10 1.49 -0.01 0.00 -0.15 0.00 0.00 55.06 56.50 1dkl s HIS 113 Cb -0.20 -2.93 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 1dkl s HIS 113 CO 0.11 0.11 0.12 0.95 -0.85 0.00 0.00 174.74 175.18 1dkl s THR 114 N 0.59 0.08 0.29 1.30 -4.23 -1.26 -1.07 115.64 111.33 1dkl s THR 114 Ca 0.43 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 1dkl s THR 114 Cb -0.20 -2.47 -0.11 0.00 1.34 0.00 0.00 72.50 71.06 1dkl s THR 114 CO 0.23 -0.05 1.55 -1.58 -0.54 0.00 0.00 174.62 174.24 1dkl s GLN 115 N -4.13 4.15 0.26 3.99 0.74 -1.26 -4.88 119.66 118.53 1dkl s GLN 115 Ca 0.37 2.51 -0.03 0.00 0.05 0.00 0.00 55.36 58.27 1dkl s GLN 115 Cb 0.07 -3.04 0.40 0.00 1.10 0.00 0.00 33.01 31.54 1dkl s GLN 115 CO 0.11 -0.58 1.86 0.00 -0.55 0.00 0.00 175.29 176.13 1dkl h ALA 116 N 4.78 1.32 -1.53 1.58 0.00 -2.00 -3.31 119.26 120.09 1dkl h ALA 116 Ca -0.47 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 53.80 1dkl h ALA 116 Cb 1.22 -0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 1dkl h ALA 116 CO 0.78 0.32 1.05 0.34 0.00 0.00 0.00 179.25 181.75 1dkl s ASP 117 N -5.80 6.47 0.00 0.00 2.15 -1.26 -4.81 116.67 113.42 1dkl s ASP 117 Ca -0.12 -1.52 0.22 0.00 0.43 0.00 0.00 52.55 51.56 1dkl s ASP 117 Cb 0.20 -2.48 1.31 0.00 -0.30 0.00 0.00 42.92 41.65 1dkl s ASP 117 CO 0.80 -1.36 1.85 0.35 -0.17 0.00 0.00 175.17 176.64 1dkl n THR 118 N 6.15 0.00 0.58 1.71 -2.24 -1.25 -3.34 114.28 115.90 1dkl n THR 118 Ca 0.21 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1dkl n THR 118 Cb 0.49 -0.32 0.16 0.00 -2.10 0.00 0.00 70.33 68.56 1dkl n THR 118 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1dkl n SER 119 N -0.81 0.68 -4.38 3.42 3.41 -1.26 -4.86 113.62 109.82 1dkl n SER 119 Ca 0.17 0.08 -0.22 0.00 -0.26 0.00 0.00 58.87 58.64 1dkl n SER 119 Cb 0.08 0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1dkl n SER 119 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dkl s SER 120 N -4.17 2.95 0.63 4.04 1.04 -1.21 -5.13 113.70 111.85 1dkl s SER 120 Ca 0.06 -0.95 -0.18 0.00 0.48 0.00 0.00 55.95 55.36 1dkl s SER 120 Cb 0.14 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1dkl s SER 120 CO 0.73 -0.04 1.20 -2.16 0.98 0.00 0.00 173.24 173.94 1dkl s PRO 121 N -3.21 2.79 -0.34 4.02 0.04 -1.26 -4.94 135.00 132.10 1dkl s PRO 121 Ca 0.22 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1dkl s PRO 121 Cb -0.04 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1dkl s PRO 121 CO 0.09 -1.33 0.30 0.34 0.04 0.00 0.00 177.00 176.44 1dkl s ASP 122 N -1.79 6.12 0.25 6.66 3.68 -1.26 -4.96 116.67 125.36 1dkl s ASP 122 Ca 0.76 -0.33 0.17 0.00 2.13 0.00 0.00 52.55 55.28 1dkl s ASP 122 Cb -0.29 -2.17 0.91 0.00 -1.45 0.00 0.00 42.92 39.93 1dkl s ASP 122 CO 0.36 -0.28 1.52 -0.81 0.13 0.00 0.00 175.17 176.09 1dkl n PRO 123 N 5.24 0.11 -0.35 4.34 -0.04 -1.26 -2.35 135.00 140.69 1dkl n PRO 123 Ca -0.11 0.59 -0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1dkl n PRO 123 Cb 0.50 -1.85 0.13 0.00 -0.04 0.00 0.00 33.50 32.23 1dkl n PRO 123 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1dkl h LEU 124 N 0.00 1.03 -0.90 1.53 6.46 -1.97 -2.19 115.31 119.26 1dkl h LEU 124 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1dkl h LEU 124 Cb 0.02 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.72 1dkl h LEU 124 CO 0.00 0.70 -0.01 0.49 -0.62 0.00 0.00 178.44 179.01 1dkl n PHE 125 N -4.48 0.00 0.00 1.25 3.01 -0.99 -4.07 117.46 112.18 1dkl n PHE 125 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1dkl n PHE 125 Cb 0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1dkl n PHE 125 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1dkl n ASN 126 N 0.09 0.00 0.32 4.37 5.15 -0.89 -4.88 115.26 119.43 1dkl n ASN 126 Ca 0.19 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.38 1dkl n ASN 126 Cb 0.34 0.00 1.02 0.00 -0.53 0.00 0.00 39.78 40.61 1dkl n ASN 126 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1dkl h PRO 127 N 0.00 0.00 -0.52 1.20 0.13 -1.63 -2.75 132.00 128.43 1dkl h PRO 127 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1dkl h PRO 127 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1dkl h PRO 127 CO 0.00 0.00 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.63 1dkl h LEU 128 N 0.00 0.96 -2.06 1.56 3.38 -1.88 -2.18 115.31 115.09 1dkl h LEU 128 Ca -0.00 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1dkl h LEU 128 Cb 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1dkl h LEU 128 CO 0.00 1.07 -0.02 0.50 0.09 0.00 0.00 178.44 180.09 1dkl h LYS 129 N 0.83 0.00 -0.46 1.13 3.64 -1.70 -2.50 116.57 117.51 1dkl h LYS 129 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1dkl h LYS 129 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1dkl h LYS 129 CO 0.04 0.02 0.00 0.25 -2.27 0.00 0.00 179.45 177.49 1dkl n THR 130 N -4.36 0.77 -1.06 1.00 -2.24 -1.20 -4.98 114.28 102.20 1dkl n THR 130 Ca -0.03 -0.89 -0.02 0.00 -2.27 0.00 0.00 64.05 60.84 1dkl n THR 130 Cb 0.10 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 1dkl n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkl n GLY 131 N 1.18 0.55 0.32 3.38 0.00 -0.94 -4.93 105.19 104.74 1dkl n GLY 131 Ca 0.18 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 1dkl n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dkl h VAL 132 N 0.00 1.20 -3.23 1.61 2.07 -1.65 -3.46 116.25 112.79 1dkl h VAL 132 Ca -0.05 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1dkl h VAL 132 Cb 0.15 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1dkl h VAL 132 CO 0.07 0.23 0.11 0.00 0.02 0.00 0.00 177.57 178.00 1dkl s GLN 134 N -3.89 1.08 0.36 0.00 -0.21 -1.26 -4.49 119.66 111.25 1dkl s GLN 134 Ca 0.15 -1.47 -0.16 0.00 0.02 0.00 0.00 55.36 53.90 1dkl s GLN 134 Cb -0.04 -0.61 -0.09 0.00 1.00 0.00 0.00 33.01 33.27 1dkl s GLN 134 CO 0.08 0.06 0.80 -0.51 -2.12 0.00 0.00 175.29 173.60 1dkl s LEU 135 N -3.18 4.00 -0.63 2.90 1.43 0.42 -5.01 118.68 118.61 1dkl s LEU 135 Ca 0.18 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.43 1dkl s LEU 135 Cb 0.03 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 42.10 1dkl s LEU 135 CO 0.01 -0.27 0.97 -0.62 0.23 0.00 0.00 176.35 176.67 1dkl s ASP 136 N -2.35 6.23 0.19 2.29 3.68 -1.26 -4.71 116.67 120.74 1dkl s ASP 136 Ca 0.56 -0.75 -0.21 0.00 2.13 0.00 0.00 52.55 54.28 1dkl s ASP 136 Cb -0.10 -2.43 0.12 0.00 -1.45 0.00 0.00 42.92 39.06 1dkl s ASP 136 CO 0.18 -1.39 1.58 0.78 0.13 0.00 0.00 175.17 176.45 1dkl h ASN 137 N 9.50 -1.21 -0.44 -0.34 -0.26 -1.95 -0.48 115.58 120.41 1dkl h ASN 137 Ca -0.28 0.23 -0.11 0.00 -0.56 0.00 0.00 56.30 55.59 1dkl h ASN 137 Cb 1.07 0.59 -0.01 0.00 -1.06 0.00 0.00 38.32 38.91 1dkl h ASN 137 CO 1.15 -0.31 -0.15 0.00 -1.06 0.00 0.00 177.43 177.07 1dkl h ALA 138 N 0.97 0.61 -0.46 -0.83 0.00 -1.99 -1.97 119.26 115.59 1dkl h ALA 138 Ca 0.23 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1dkl h ALA 138 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1dkl h ALA 138 CO -0.69 0.54 -0.11 -0.97 0.00 0.00 0.00 179.25 178.01 1dkl h ASN 139 N 0.71 0.83 -0.30 0.00 -0.00 -1.90 -2.38 115.58 112.55 1dkl h ASN 139 Ca 0.11 -0.26 -0.13 0.00 -0.00 0.00 0.00 56.30 56.02 1dkl h ASN 139 Cb 0.70 -0.23 -0.00 0.00 -0.00 0.00 0.00 38.32 38.79 1dkl h ASN 139 CO 0.05 0.96 -0.33 0.58 -0.00 0.00 0.00 177.43 178.70 1dkl h VAL 140 N 0.76 1.30 -0.09 2.57 2.07 -1.05 -2.09 116.25 119.72 1dkl h VAL 140 Ca 0.12 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.17 1dkl h VAL 140 Cb 0.62 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1dkl h VAL 140 CO 0.04 0.49 -0.08 0.74 0.02 0.00 0.00 177.57 178.77 1dkl h THR 141 N 0.51 0.76 -0.18 2.57 2.02 -1.25 -0.96 112.91 116.38 1dkl h THR 141 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1dkl h THR 141 Cb 0.91 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1dkl h THR 141 CO 0.08 0.00 0.11 0.44 0.37 0.00 0.00 175.52 176.52 1dkl h ASP 142 N -0.10 0.22 -0.80 4.18 3.32 -1.40 -1.30 116.42 120.54 1dkl h ASP 142 Ca 0.07 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.12 1dkl h ASP 142 Cb 0.20 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 1dkl h ASP 142 CO -0.15 0.21 0.48 0.00 -1.72 0.00 0.00 179.24 178.06 1dkl h ALA 143 N 1.02 1.11 -0.19 3.45 0.00 -1.13 -1.28 119.26 122.23 1dkl h ALA 143 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1dkl h ALA 143 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1dkl h ALA 143 CO -0.01 0.20 -0.45 0.82 0.00 0.00 0.00 179.25 179.80 1dkl h ILE 144 N 0.88 1.32 -0.89 0.00 2.04 -0.97 -2.24 117.51 117.66 1dkl h ILE 144 Ca 0.36 -1.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1dkl h ILE 144 Cb 0.20 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1dkl h ILE 144 CO -0.18 0.52 0.55 -0.07 0.00 0.00 0.00 178.15 178.97 1dkl h LEU 145 N 0.34 1.06 -0.36 1.44 -0.00 -1.02 -0.34 115.31 116.43 1dkl h LEU 145 Ca -0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1dkl h LEU 145 Cb 1.06 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.44 1dkl h LEU 145 CO 0.10 0.81 0.11 -1.28 -0.00 0.00 0.00 178.44 178.18 1dkl h SER 146 N 1.22 0.52 0.87 -0.43 0.87 -1.21 0.99 113.55 116.39 1dkl h SER 146 Ca 0.32 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1dkl h SER 146 Cb -0.07 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1dkl h SER 146 CO -0.06 0.58 0.00 0.03 -0.53 0.00 0.00 176.83 176.85 1dkl h ARG 147 N 0.43 0.00 -0.00 2.24 3.08 -1.00 -1.46 114.38 117.66 1dkl h ARG 147 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1dkl h ARG 147 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1dkl h ARG 147 CO -0.00 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 178.87 1dkl n ALA 148 N -2.02 2.63 -0.52 0.04 0.00 -0.17 -4.88 120.51 115.58 1dkl n ALA 148 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1dkl n ALA 148 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1dkl n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dkl n GLY 149 N 1.19 0.72 0.00 0.00 0.00 -0.55 -3.58 105.19 102.96 1dkl n GLY 149 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dkl n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkl n GLY 150 N -2.52 3.48 3.72 -0.02 0.00 0.27 -4.90 105.19 105.22 1dkl n GLY 150 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 1dkl n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dkl s SER 151 N 0.00 -0.35 0.34 1.61 1.04 -1.25 -4.71 113.70 110.38 1dkl s SER 151 Ca 0.00 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.10 1dkl s SER 151 Cb 0.00 0.67 0.61 0.00 0.10 0.00 0.00 66.02 67.40 1dkl s SER 151 CO 0.00 -1.20 1.80 0.40 0.98 0.00 0.00 173.24 175.22 1dkl h ILE 152 N 2.00 1.25 -0.72 -1.02 1.08 -1.89 -2.02 117.51 116.20 1dkl h ILE 152 Ca -0.24 -1.19 -0.06 0.00 -0.39 0.00 0.00 64.86 62.98 1dkl h ILE 152 Cb 1.27 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 1dkl h ILE 152 CO 0.28 0.36 0.20 0.00 -0.69 0.00 0.00 178.15 178.29 1dkl h ALA 153 N 1.51 1.00 -0.53 1.87 0.00 -1.94 -0.91 119.26 120.24 1dkl h ALA 153 Ca 0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1dkl h ALA 153 Cb 0.62 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1dkl h ALA 153 CO 0.04 0.66 -0.03 -0.44 0.00 0.00 0.00 179.25 179.49 1dkl h ASP 154 N 1.07 0.90 0.39 0.00 3.32 -1.77 -0.54 116.42 119.79 1dkl h ASP 154 Ca 0.23 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1dkl h ASP 154 Cb 0.34 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1dkl h ASP 154 CO -0.00 0.97 -0.33 0.15 -1.72 0.00 0.00 179.24 178.31 1dkl h PHE 155 N 0.84 -0.89 -0.32 4.55 3.57 -0.65 -1.49 116.94 122.56 1dkl h PHE 155 Ca 0.15 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1dkl h PHE 155 Cb 0.54 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1dkl h PHE 155 CO 0.03 -0.48 -0.05 1.79 -2.23 0.00 0.00 178.31 177.38 1dkl h THR 156 N -0.73 1.21 -0.62 4.41 1.35 -1.14 -2.87 112.91 114.53 1dkl h THR 156 Ca -0.03 -0.87 0.03 0.00 -0.55 0.00 0.00 66.41 65.00 1dkl h THR 156 Cb 0.64 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 1dkl h THR 156 CO -0.03 0.29 0.37 1.23 -0.25 0.00 0.00 175.52 177.14 1dkl h GLY 157 N 0.86 0.89 1.69 5.82 0.00 -0.62 -0.86 103.07 110.85 1dkl h GLY 157 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1dkl h GLY 157 CO 0.02 0.22 0.00 1.42 0.00 0.00 0.00 176.54 178.20 1dkl n HIS 158 N -4.74 0.00 -1.40 5.60 -0.00 -0.60 -3.22 115.22 110.86 1dkl n HIS 158 Ca 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.86 1dkl n HIS 158 Cb 0.10 -0.34 0.16 0.00 -0.00 0.00 0.00 29.99 29.91 1dkl n HIS 158 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1dkl n ARG 159 N -1.34 1.32 -0.10 -0.41 1.74 -0.36 -4.75 116.66 112.76 1dkl n ARG 159 Ca 0.08 -2.82 0.09 0.00 -0.77 0.00 0.00 57.85 54.44 1dkl n ARG 159 Cb 0.18 -1.46 0.45 0.00 -1.02 0.00 0.00 32.46 30.62 1dkl n ARG 159 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1dkl h GLN 160 N 0.48 0.50 -0.79 5.56 1.08 -1.44 -1.33 115.11 119.18 1dkl h GLN 160 Ca -0.01 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1dkl h GLN 160 Cb 1.05 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.33 1dkl h GLN 160 CO 0.00 0.33 0.52 1.15 -0.95 0.00 0.00 178.83 179.89 1dkl h THR 161 N 0.51 1.19 -0.09 -0.54 2.02 -1.88 0.16 112.91 114.27 1dkl h THR 161 Ca 0.27 -0.36 -0.22 0.00 0.77 0.00 0.00 66.41 66.87 1dkl h THR 161 Cb 0.39 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1dkl h THR 161 CO -0.08 0.19 -0.83 0.00 0.37 0.00 0.00 175.52 175.17 1dkl h ALA 162 N 1.51 0.36 -0.60 6.16 0.00 -1.58 -2.43 119.26 122.68 1dkl h ALA 162 Ca 0.29 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1dkl h ALA 162 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1dkl h ALA 162 CO -0.07 0.72 0.06 0.74 0.00 0.00 0.00 179.25 180.70 1dkl h PHE 163 N 0.41 1.10 -0.03 0.00 0.04 -0.90 -1.50 116.94 116.07 1dkl h PHE 163 Ca -0.06 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 60.46 1dkl h PHE 163 Cb 1.45 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 1dkl h PHE 163 CO 0.08 0.96 -0.34 0.00 -0.60 0.00 0.00 178.31 178.41 1dkl h ARG 164 N 0.92 0.06 -0.26 1.51 3.08 -0.70 0.28 114.38 119.27 1dkl h ARG 164 Ca 0.18 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1dkl h ARG 164 Cb 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1dkl h ARG 164 CO 0.02 0.39 -0.07 1.49 -1.07 0.00 0.00 179.97 180.73 1dkl h GLU 165 N 0.05 0.50 -0.69 0.04 4.57 -1.03 -1.56 114.58 116.46 1dkl h GLU 165 Ca 0.00 -0.20 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1dkl h GLU 165 Cb 0.62 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 1dkl h GLU 165 CO 0.05 0.73 0.45 1.25 -1.18 0.00 0.00 179.01 180.31 1dkl h LEU 166 N 0.25 0.78 -1.41 1.64 5.85 -0.78 -1.74 115.31 119.90 1dkl h LEU 166 Ca 0.06 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1dkl h LEU 166 Cb 0.55 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1dkl h LEU 166 CO 0.03 0.57 0.43 -0.33 -0.34 0.00 0.00 178.44 178.80 1dkl h GLU 167 N 0.93 0.74 -0.08 1.25 5.08 -0.75 -1.51 114.58 120.23 1dkl h GLU 167 Ca 0.25 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1dkl h GLU 167 Cb -0.10 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1dkl h GLU 167 CO -0.06 0.49 0.01 -0.09 -1.00 0.00 0.00 179.01 178.37 1dkl h ARG 168 N 0.77 0.13 -0.66 2.33 1.12 -0.45 0.87 114.38 118.49 1dkl h ARG 168 Ca 0.26 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 1dkl h ARG 168 Cb 0.10 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 1dkl h ARG 168 CO -0.07 0.35 0.42 0.28 -3.11 0.00 0.00 179.97 177.83 1dkl h VAL 169 N -0.11 1.18 0.00 0.20 2.07 -0.88 -2.20 116.25 116.50 1dkl h VAL 169 Ca 0.02 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1dkl h VAL 169 Cb 0.29 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1dkl h VAL 169 CO 0.00 0.18 -0.04 -0.07 0.02 0.00 0.00 177.57 177.66 1dkl h LEU 170 N 0.90 0.00 -1.47 2.57 3.38 -1.11 -3.46 115.31 116.12 1dkl h LEU 170 Ca 0.24 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.84 1dkl h LEU 170 Cb -0.07 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.82 1dkl h LEU 170 CO -0.05 0.00 -0.76 -3.20 0.09 0.00 0.00 178.44 174.52 1dkl n ASN 171 N -2.86 -2.97 -0.29 -0.43 2.85 0.13 -4.15 115.26 107.55 1dkl n ASN 171 Ca 0.04 -0.64 0.06 0.00 -0.11 0.00 0.00 54.58 53.93 1dkl n ASN 171 Cb 0.50 -4.87 0.21 0.00 1.24 0.00 0.00 39.78 36.87 1dkl n ASN 171 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1dkl h PHE 172 N -2.08 0.73 0.00 1.20 3.57 -1.28 -2.19 116.94 116.89 1dkl h PHE 172 Ca -0.59 0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.95 1dkl h PHE 172 Cb 1.35 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1dkl h PHE 172 CO 0.46 0.18 0.08 -0.35 -2.23 0.00 0.00 178.31 176.45 1dkl n PRO 173 N -4.88 0.12 -0.40 6.41 -0.04 -1.26 -0.56 135.00 134.39 1dkl n PRO 173 Ca 0.16 0.61 0.08 0.00 -0.04 0.00 0.00 63.50 64.31 1dkl n PRO 173 Cb 0.41 -1.96 0.24 0.00 -0.04 0.00 0.00 33.50 32.15 1dkl n PRO 173 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1dkl n GLN 174 N -2.15 2.99 -2.53 0.54 6.02 -0.82 -4.65 117.38 116.78 1dkl n GLN 174 Ca -0.01 -2.66 -0.26 0.00 -0.01 0.00 0.00 57.00 54.05 1dkl n GLN 174 Cb 0.10 -1.72 0.02 0.00 1.02 0.00 0.00 30.24 29.67 1dkl n GLN 174 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1dkl s SER 175 N -1.65 5.80 0.16 1.08 1.04 0.27 -4.39 113.70 116.01 1dkl s SER 175 Ca 0.38 0.72 -0.16 0.00 0.48 0.00 0.00 55.95 57.37 1dkl s SER 175 Cb 0.29 -1.83 0.02 0.00 0.10 0.00 0.00 66.02 64.60 1dkl s SER 175 CO 0.11 -0.89 1.81 0.78 0.98 0.00 0.00 173.24 176.03 1dkl h ASN 176 N 0.00 0.45 -0.86 7.02 2.35 -1.82 -1.56 115.58 121.16 1dkl h ASN 176 Ca -0.46 -0.01 0.22 0.00 -0.55 0.00 0.00 56.30 55.51 1dkl h ASN 176 Cb 1.24 -0.11 -0.14 0.00 0.05 0.00 0.00 38.32 39.37 1dkl h ASN 176 CO 0.60 0.32 0.25 0.25 -1.65 0.00 0.00 177.43 177.21 1dkl h LEU 177 N 0.54 0.04 -0.03 1.61 5.85 -1.56 0.16 115.31 121.92 1dkl h LEU 177 Ca 0.15 0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.90 1dkl h LEU 177 Cb -0.05 0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.24 1dkl h LEU 177 CO -0.04 -0.12 -0.59 0.00 -0.34 0.00 0.00 178.44 177.35 1dkl h LEU 179 N -0.03 0.25 -3.14 0.00 3.38 -0.28 -2.97 115.31 112.52 1dkl h LEU 179 Ca -0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1dkl h LEU 179 Cb 1.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1dkl h LEU 179 CO 0.12 0.26 -0.05 0.29 0.09 0.00 0.00 178.44 179.15 1dkl n LYS 180 N -4.90 1.14 0.00 1.13 5.02 0.46 -5.10 118.16 115.92 1dkl n LYS 180 Ca -0.04 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1dkl n LYS 180 Cb 0.07 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1dkl n LYS 180 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1dkl n ARG 181 N 1.62 0.00 -0.23 1.97 0.63 -1.12 -4.98 116.66 114.55 1dkl n ARG 181 Ca 0.06 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.89 1dkl n ARG 181 Cb 0.56 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.45 1dkl n ARG 181 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1dkl n SER 187 N 0.00 0.15 -4.66 6.15 7.64 -1.26 -5.17 113.62 116.47 1dkl n SER 187 Ca 0.00 0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.61 1dkl n SER 187 Cb 0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 1dkl n SER 187 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dkl s SER 189 N 1.19 0.63 0.15 0.00 0.15 -1.26 -4.95 113.70 109.62 1dkl s SER 189 Ca 0.37 -0.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.77 1dkl s SER 189 Cb -0.16 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 1dkl s SER 189 CO 0.11 -0.01 1.78 -0.07 1.20 0.00 0.00 173.24 176.26 1dkl h LEU 190 N 6.63 0.30 -1.14 3.45 3.38 -1.96 0.44 115.31 126.42 1dkl h LEU 190 Ca -0.35 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 1dkl h LEU 190 Cb 1.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1dkl h LEU 190 CO 0.49 0.22 -0.31 0.71 0.09 0.00 0.00 178.44 179.64 1dkl h THR 191 N 0.40 0.82 0.19 0.22 1.35 -1.96 0.12 112.91 114.05 1dkl h THR 191 Ca 0.14 -1.29 -0.25 0.00 -0.55 0.00 0.00 66.41 64.46 1dkl h THR 191 Cb 0.03 1.79 0.03 0.00 -1.73 0.00 0.00 68.15 68.27 1dkl h THR 191 CO -0.08 0.31 -1.12 -0.61 -0.25 0.00 0.00 175.52 173.76 1dkl h GLN 192 N 0.00 0.40 0.00 4.72 -0.00 -1.85 -3.25 115.11 115.12 1dkl h GLN 192 Ca -0.00 -0.68 -0.09 0.00 -0.00 0.00 0.00 58.65 57.88 1dkl h GLN 192 Cb 0.77 0.25 -0.01 0.00 0.00 0.00 0.00 27.48 28.49 1dkl h GLN 192 CO 0.04 1.32 -0.42 0.00 0.00 0.00 0.00 178.83 179.78 1dkl h ALA 193 N 0.10 1.02 -2.42 3.38 0.00 0.02 -3.37 119.26 118.00 1dkl h ALA 193 Ca -0.20 -0.38 -0.59 0.00 0.00 0.00 0.00 54.91 53.74 1dkl h ALA 193 Cb 1.86 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 19.19 1dkl h ALA 193 CO 0.20 0.52 -0.85 1.28 0.00 0.00 0.00 179.25 180.41 1dkl n LEU 194 N -3.62 1.26 -4.64 0.00 4.77 0.02 -5.03 117.00 109.75 1dkl n LEU 194 Ca -0.01 -4.84 -0.45 0.00 -0.03 0.00 0.00 56.01 50.68 1dkl n LEU 194 Cb 0.52 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1dkl n LEU 194 CO 0.38 1.92 0.84 -0.81 -1.33 0.00 0.00 177.39 178.39 1dkl n PRO 195 N 1.93 1.70 -4.06 3.23 -0.04 -1.23 -0.42 135.00 136.11 1dkl n PRO 195 Ca 0.25 0.60 -0.36 0.00 -0.04 0.00 0.00 63.50 63.96 1dkl n PRO 195 Cb 0.45 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.67 1dkl n PRO 195 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1dkl s SER 196 N -0.02 5.83 0.04 3.54 0.01 -1.26 -3.90 113.70 117.94 1dkl s SER 196 Ca 0.66 0.26 0.04 0.00 1.31 0.00 0.00 55.95 58.22 1dkl s SER 196 Cb -0.70 -1.86 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1dkl s SER 196 CO 0.54 0.33 -0.12 -1.61 0.41 0.00 0.00 173.24 172.79 1dkl s GLU 197 N -0.57 0.75 -0.12 12.44 2.02 -1.25 -4.78 118.70 127.19 1dkl s GLU 197 Ca 0.11 -0.76 -0.22 0.00 0.02 0.00 0.00 54.97 54.12 1dkl s GLU 197 Cb -0.12 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 1dkl s GLU 197 CO 0.02 0.16 0.68 -1.17 0.02 0.00 0.00 175.26 174.97 1dkl s LEU 198 N -1.32 4.25 -0.22 1.80 2.96 -1.26 -1.90 118.68 122.99 1dkl s LEU 198 Ca -0.02 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1dkl s LEU 198 Cb -0.08 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.61 1dkl s LEU 198 CO 0.01 -0.19 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.21 1dkl s LYS 199 N 1.27 3.00 -0.08 1.98 3.01 0.37 -5.01 119.74 124.28 1dkl s LYS 199 Ca 0.34 -0.86 0.03 0.00 -1.01 0.00 0.00 55.97 54.48 1dkl s LYS 199 Cb -0.17 -2.84 -0.01 0.00 -1.01 0.00 0.00 37.83 33.79 1dkl s LYS 199 CO 0.14 -0.29 -0.19 0.08 0.51 0.00 0.00 175.35 175.60 1dkl s VAL 200 N 1.34 2.60 0.29 3.17 1.01 -1.26 -1.19 120.40 126.35 1dkl s VAL 200 Ca 0.03 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1dkl s VAL 200 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1dkl s VAL 200 CO -0.07 0.56 0.24 -0.94 0.00 0.00 0.00 175.10 174.89 1dkl s SER 201 N -0.06 1.15 0.29 3.32 1.04 -0.30 -5.03 113.70 114.11 1dkl s SER 201 Ca -0.05 -1.63 -0.01 0.00 0.48 0.00 0.00 55.95 54.75 1dkl s SER 201 Cb -0.14 0.50 0.44 0.00 0.10 0.00 0.00 66.02 66.92 1dkl s SER 201 CO 0.04 -1.00 1.87 0.00 0.98 0.00 0.00 173.24 175.13 1dkl h ALA 202 N 2.29 1.29 -0.02 5.32 0.00 -2.00 -3.20 119.26 122.95 1dkl h ALA 202 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1dkl h ALA 202 Cb 1.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1dkl h ALA 202 CO 0.42 0.52 -0.21 -0.40 0.00 0.00 0.00 179.25 179.58 1dkl n ASP 203 N -4.31 2.02 -3.52 0.00 3.85 -1.26 -0.44 116.55 112.88 1dkl n ASP 203 Ca 0.05 -1.51 -0.08 0.00 -0.71 0.00 0.00 54.79 52.54 1dkl n ASP 203 Cb 0.18 0.28 -0.02 0.00 -1.35 0.00 0.00 41.12 40.21 1dkl n ASP 203 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1dkl s ASN 204 N -1.79 -0.37 -0.00 -1.12 2.47 -1.21 -4.45 114.94 108.46 1dkl s ASN 204 Ca 0.17 -0.04 0.01 0.00 0.42 0.00 0.00 52.86 53.41 1dkl s ASN 204 Cb 0.14 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.36 1dkl s ASN 204 CO 0.35 -0.69 -0.02 0.54 -3.72 0.00 0.00 177.10 173.56 1dkl s VAL 205 N -3.21 0.15 0.27 -5.21 0.11 -1.26 -1.15 120.40 110.10 1dkl s VAL 205 Ca 0.05 -0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 1dkl s VAL 205 Cb -0.01 -0.15 -0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1dkl s VAL 205 CO -0.08 0.05 0.48 -0.94 -3.33 0.00 0.00 175.10 171.28 1dkl s SER 206 N 0.06 0.09 0.14 3.54 1.04 -0.34 -5.01 113.70 113.22 1dkl s SER 206 Ca -0.00 -1.05 0.09 0.00 0.48 0.00 0.00 55.95 55.46 1dkl s SER 206 Cb -0.02 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1dkl s SER 206 CO -0.00 -1.19 -0.20 -0.76 0.98 0.00 0.00 173.24 172.07 1dkl s LEU 207 N -3.06 2.38 0.53 2.42 2.01 -1.26 -0.48 118.68 121.21 1dkl s LEU 207 Ca 0.24 -0.79 0.01 0.00 0.01 0.00 0.00 54.13 53.60 1dkl s LEU 207 Cb -0.01 -0.87 -0.00 0.00 0.01 0.00 0.00 46.19 45.32 1dkl s LEU 207 CO 0.11 0.02 0.03 0.42 1.01 0.00 0.00 176.35 177.94 1dkl s THR 208 N -1.64 1.09 0.00 5.49 -4.23 -0.80 -4.59 115.64 110.96 1dkl s THR 208 Ca 0.12 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1dkl s THR 208 Cb -0.08 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1dkl s THR 208 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1dkl n GLY 209 N -1.34 1.02 0.27 3.99 0.00 -1.25 -3.86 105.19 104.02 1dkl n GLY 209 Ca -0.20 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.24 1dkl n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkl h ALA 210 N -0.97 0.67 -0.31 4.61 0.00 -0.97 -1.76 119.26 120.53 1dkl h ALA 210 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1dkl h ALA 210 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1dkl h ALA 210 CO 0.00 -0.42 -0.10 0.28 0.00 0.00 0.00 179.25 179.01 1dkl h VAL 211 N 0.07 0.64 -0.37 0.00 2.07 -1.83 0.54 116.25 117.37 1dkl h VAL 211 Ca 0.38 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.86 1dkl h VAL 211 Cb 0.64 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1dkl h VAL 211 CO -0.67 0.00 0.07 -1.28 0.02 0.00 0.00 177.57 175.70 1dkl h SER 212 N -0.03 0.58 0.19 0.57 0.87 -1.54 -1.99 113.55 112.20 1dkl h SER 212 Ca 0.15 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1dkl h SER 212 Cb 0.26 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1dkl h SER 212 CO -0.34 0.69 -0.09 0.25 -0.53 0.00 0.00 176.83 176.81 1dkl h LEU 213 N 0.45 -0.21 -0.67 2.23 6.46 -1.03 -2.23 115.31 120.31 1dkl h LEU 213 Ca 0.11 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.91 1dkl h LEU 213 Cb 0.35 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.27 1dkl h LEU 213 CO 0.01 -0.11 0.36 0.00 -0.62 0.00 0.00 178.44 178.07 1dkl h ALA 214 N 0.50 0.91 -0.53 1.25 0.00 -0.88 0.20 119.26 120.71 1dkl h ALA 214 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1dkl h ALA 214 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1dkl h ALA 214 CO 0.04 0.00 0.34 1.03 0.00 0.00 0.00 179.25 180.66 1dkl h SER 215 N 0.64 0.57 -0.16 0.00 0.87 -1.20 -0.66 113.55 113.61 1dkl h SER 215 Ca 0.31 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.75 1dkl h SER 215 Cb 0.25 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1dkl h SER 215 CO -0.22 0.41 -0.37 -0.03 -0.53 0.00 0.00 176.83 176.09 1dkl h MET 216 N 0.68 0.54 -0.79 2.24 1.85 -0.75 -3.11 114.93 115.59 1dkl h MET 216 Ca 0.20 -0.36 -0.04 0.00 -0.61 0.00 0.00 59.70 58.89 1dkl h MET 216 Cb -0.04 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.01 1dkl h MET 216 CO -0.06 0.97 0.33 -0.07 -0.40 0.00 0.00 176.91 177.68 1dkl h LEU 217 N 0.17 1.08 -1.00 3.39 4.07 -0.47 -1.75 115.31 120.80 1dkl h LEU 217 Ca -0.00 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.69 1dkl h LEU 217 Cb 0.98 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1dkl h LEU 217 CO 0.08 0.95 -0.47 0.71 -1.08 0.00 0.00 178.44 178.63 1dkl h THR 218 N 1.14 1.34 -0.44 0.22 1.35 -1.21 -2.35 112.91 112.96 1dkl h THR 218 Ca 0.26 -1.64 -0.14 0.00 -0.55 0.00 0.00 66.41 64.34 1dkl h THR 218 Cb 0.20 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1dkl h THR 218 CO -0.02 0.47 -0.29 -0.08 -0.25 0.00 0.00 175.52 175.35 1dkl h GLU 219 N 0.06 0.98 -0.98 4.72 4.81 -1.40 -2.58 114.58 120.19 1dkl h GLU 219 Ca 0.00 -0.46 0.06 0.00 -0.13 0.00 0.00 59.36 58.83 1dkl h GLU 219 Cb 0.86 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.16 1dkl h GLU 219 CO 0.06 1.13 0.63 0.82 -0.73 0.00 0.00 179.01 180.93 1dkl h ILE 220 N 0.82 1.09 -0.45 2.32 2.04 -0.86 0.83 117.51 123.30 1dkl h ILE 220 Ca 0.09 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1dkl h ILE 220 Cb 0.88 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1dkl h ILE 220 CO 0.08 0.21 0.21 -0.26 0.00 0.00 0.00 178.15 178.39 1dkl h PHE 221 N 1.15 0.66 -0.73 1.37 0.04 -1.24 -1.14 116.94 117.05 1dkl h PHE 221 Ca 0.42 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.18 1dkl h PHE 221 Cb 0.15 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 1dkl h PHE 221 CO -0.01 0.53 0.47 1.25 -0.60 0.00 0.00 178.31 179.96 1dkl h LEU 222 N 0.59 0.79 -0.71 1.54 6.46 -0.81 -1.69 115.31 121.48 1dkl h LEU 222 Ca 0.15 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1dkl h LEU 222 Cb 0.13 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 1dkl h LEU 222 CO -0.02 0.56 0.42 -0.07 -0.62 0.00 0.00 178.44 178.71 1dkl h LEU 223 N 0.93 0.85 -0.72 2.25 4.07 -0.51 -0.17 115.31 122.01 1dkl h LEU 223 Ca 0.28 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.19 1dkl h LEU 223 Cb -0.03 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.46 1dkl h LEU 223 CO -0.09 0.66 0.48 1.56 -1.08 0.00 0.00 178.44 179.97 1dkl h GLN 224 N 0.96 0.95 -0.06 1.13 4.20 -0.76 0.31 115.11 121.85 1dkl h GLN 224 Ca 0.25 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1dkl h GLN 224 Cb -0.03 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 1dkl h GLN 224 CO -0.05 0.63 0.03 0.37 -0.67 0.00 0.00 178.83 179.14 1dkl h GLN 225 N 0.97 0.08 0.00 1.46 5.75 -0.82 -1.50 115.11 121.06 1dkl h GLN 225 Ca 0.27 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.67 1dkl h GLN 225 Cb -0.11 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 1dkl h GLN 225 CO -0.06 0.14 -0.40 0.00 -2.65 0.00 0.00 178.83 175.86 1dkl h ALA 226 N 0.94 1.24 0.00 3.38 0.00 -0.66 -2.32 119.26 121.84 1dkl h ALA 226 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1dkl h ALA 226 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1dkl h ALA 226 CO -0.00 0.50 0.00 0.94 0.00 0.00 0.00 179.25 180.69 1dkl n GLN 227 N -3.92 0.20 -0.98 0.00 -0.06 0.11 -4.51 117.38 108.21 1dkl n GLN 227 Ca -0.02 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1dkl n GLN 227 Cb 0.45 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.13 1dkl n GLN 227 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1dkl n GLY 228 N 0.88 0.40 3.77 1.69 0.00 -0.87 -5.03 105.19 106.04 1dkl n GLY 228 Ca 0.09 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1dkl n GLY 228 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkl s MET 229 N -1.75 3.39 0.27 1.61 -1.94 -0.59 -4.97 119.30 115.33 1dkl s MET 229 Ca 0.00 1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 55.31 1dkl s MET 229 Cb 0.00 -2.03 -0.09 0.00 2.01 0.00 0.00 34.83 34.71 1dkl s MET 229 CO 0.00 -0.82 1.19 -1.25 -0.01 0.00 0.00 175.02 174.13 1dkl s PRO 230 N -3.24 4.51 -0.40 2.03 0.04 -1.26 -4.31 135.00 132.37 1dkl s PRO 230 Ca 0.72 1.95 -0.31 0.00 0.04 0.00 0.00 61.00 63.40 1dkl s PRO 230 Cb -0.24 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.18 1dkl s PRO 230 CO 0.27 0.01 0.56 -0.85 0.04 0.00 0.00 177.00 177.03 1dkl n GLU 231 N 1.43 -1.59 -1.96 4.56 0.28 -1.26 -4.89 120.64 117.20 1dkl n GLU 231 Ca 0.01 1.15 -0.37 0.00 -0.16 0.00 0.00 57.16 57.78 1dkl n GLU 231 Cb 0.44 -1.67 0.03 0.00 1.43 0.00 0.00 31.44 31.66 1dkl n GLU 231 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 1dkl s PRO 232 N -2.21 3.13 -1.46 3.44 0.02 -1.26 -2.72 135.00 133.94 1dkl s PRO 232 Ca 0.30 1.97 -0.06 0.00 0.02 0.00 0.00 61.00 63.23 1dkl s PRO 232 Cb -0.03 -2.11 0.01 0.00 0.02 0.00 0.00 34.50 32.38 1dkl s PRO 232 CO 0.74 -1.11 0.83 0.41 -0.33 0.00 0.00 177.00 177.53 1dkl n GLY 233 N 0.60 -0.51 2.41 0.52 0.00 -1.26 -1.94 105.19 105.01 1dkl n GLY 233 Ca 0.12 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 1dkl n GLY 233 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dkl n TRP 234 N -4.69 -1.08 -1.06 1.61 8.01 -1.13 -1.09 117.44 118.01 1dkl n TRP 234 Ca -0.06 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.11 1dkl n TRP 234 Cb 0.60 -3.38 -0.01 0.00 -2.01 0.00 0.00 31.31 26.51 1dkl n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1dkl n GLY 235 N -0.85 0.54 0.86 6.99 0.00 -0.82 -4.91 105.19 107.00 1dkl n GLY 235 Ca -0.20 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1dkl n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkl n ARG 236 N -2.43 2.13 -4.03 1.61 3.00 -0.25 -4.71 116.66 111.99 1dkl n ARG 236 Ca -0.02 -1.70 -0.31 0.00 -0.01 0.00 0.00 57.85 55.81 1dkl n ARG 236 Cb 0.13 -1.46 -0.15 0.00 0.00 0.00 0.00 32.46 30.98 1dkl n ARG 236 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1dkl s ILE 237 N -1.72 2.21 0.00 0.55 1.01 -1.26 -4.82 121.20 117.17 1dkl s ILE 237 Ca 0.35 -2.12 0.00 0.00 0.00 0.00 0.00 60.65 58.88 1dkl s ILE 237 Cb 0.20 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1dkl s ILE 237 CO 0.30 -0.43 0.60 0.35 0.00 0.00 0.00 174.94 175.75 1dkl n THR 238 N 4.32 0.23 -3.94 2.92 -2.24 -1.26 -4.89 114.28 109.41 1dkl n THR 238 Ca -0.01 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 1dkl n THR 238 Cb 0.42 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 1dkl n THR 238 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1dkl s ASP 239 N -0.23 -0.05 0.39 3.42 3.84 -1.26 -5.06 116.67 117.73 1dkl s ASP 239 Ca 0.00 -0.84 0.07 0.00 -0.00 0.00 0.00 52.55 51.78 1dkl s ASP 239 Cb 0.00 0.50 0.80 0.00 -1.38 0.00 0.00 42.92 42.84 1dkl s ASP 239 CO 0.00 -1.00 1.98 0.28 -0.00 0.00 0.00 175.17 176.43 1dkl h SER 240 N 2.40 0.39 -0.41 2.11 0.02 -1.99 -2.25 113.55 113.81 1dkl h SER 240 Ca -0.30 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1dkl h SER 240 Cb 1.24 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1dkl h SER 240 CO 0.43 0.39 0.23 -0.74 -1.14 0.00 0.00 176.83 176.00 1dkl h HIS 241 N 0.43 0.57 -0.34 3.45 6.17 -1.99 -1.58 115.15 121.86 1dkl h HIS 241 Ca 0.10 -0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.14 1dkl h HIS 241 Cb 0.15 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 1dkl h HIS 241 CO 0.00 0.43 0.10 1.96 0.71 0.00 0.00 177.93 181.14 1dkl h GLN 242 N 0.54 0.52 -0.32 5.26 4.20 -1.89 -1.46 115.11 121.96 1dkl h GLN 242 Ca 0.15 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.78 1dkl h GLN 242 Cb 0.05 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1dkl h GLN 242 CO -0.02 0.56 0.11 -1.49 -0.67 0.00 0.00 178.83 177.31 1dkl h TRP 243 N 0.39 0.20 -0.52 2.96 4.06 -1.20 -0.58 115.95 121.25 1dkl h TRP 243 Ca 0.11 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.06 1dkl h TRP 243 Cb 0.25 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1dkl h TRP 243 CO 0.01 0.08 0.27 -0.91 -3.56 0.00 0.00 178.44 174.34 1dkl h ASN 244 N 0.25 0.67 -0.35 -3.49 -0.26 -1.20 -0.19 115.58 111.02 1dkl h ASN 244 Ca 0.14 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1dkl h ASN 244 Cb 0.12 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 1dkl h ASN 244 CO -0.15 0.58 0.21 0.74 -1.06 0.00 0.00 177.43 177.75 1dkl h THR 245 N 0.70 1.12 0.41 2.81 2.02 -0.99 -1.78 112.91 117.20 1dkl h THR 245 Ca 0.18 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1dkl h THR 245 Cb 0.08 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1dkl h THR 245 CO -0.03 0.12 -0.20 -0.07 0.37 0.00 0.00 175.52 175.71 1dkl h LEU 246 N 0.45 -0.47 -0.45 2.58 3.38 -0.82 -2.80 115.31 117.17 1dkl h LEU 246 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1dkl h LEU 246 Cb 0.01 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1dkl h LEU 246 CO -0.02 -0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.43 1dkl n LEU 247 N -5.29 0.28 0.09 1.67 7.99 -0.11 -2.34 117.00 119.30 1dkl n LEU 247 Ca -0.11 0.59 0.04 0.00 -0.01 0.00 0.00 56.01 56.52 1dkl n LEU 247 Cb 0.26 -0.58 0.44 0.00 -0.11 0.00 0.00 43.42 43.43 1dkl n LEU 247 CO 0.35 -0.52 1.02 0.77 -1.51 0.00 0.00 177.39 177.50 1dkl h SER 248 N 0.00 0.30 -0.47 -1.43 4.64 -1.03 -0.50 113.55 115.05 1dkl h SER 248 Ca 0.00 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1dkl h SER 248 Cb 0.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1dkl h SER 248 CO 0.00 0.32 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.20 1dkl h LEU 249 N 0.33 0.83 -0.11 5.97 -0.00 -1.60 0.66 115.31 121.39 1dkl h LEU 249 Ca 0.08 -0.31 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 1dkl h LEU 249 Cb 0.14 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.58 1dkl h LEU 249 CO -0.00 0.94 0.04 -0.74 -0.00 0.00 0.00 178.44 178.67 1dkl h HIS 250 N 0.70 0.17 -0.36 1.13 2.76 -1.48 -2.21 115.15 115.85 1dkl h HIS 250 Ca 0.13 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1dkl h HIS 250 Cb 0.52 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 1dkl h HIS 250 CO 0.04 0.28 -0.01 -0.91 -1.30 0.00 0.00 177.93 176.03 1dkl h ASN 251 N 0.00 0.54 -0.44 3.26 2.35 -1.04 -2.57 115.58 117.69 1dkl h ASN 251 Ca 0.04 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1dkl h ASN 251 Cb 0.19 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1dkl h ASN 251 CO -0.00 0.62 0.24 0.00 -1.65 0.00 0.00 177.43 176.64 1dkl h ALA 252 N 1.45 0.57 -0.48 -0.83 0.00 -0.65 0.21 119.26 119.52 1dkl h ALA 252 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dkl h ALA 252 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1dkl h ALA 252 CO 0.01 0.10 0.31 0.37 0.00 0.00 0.00 179.25 180.04 1dkl h GLN 253 N 0.57 0.62 -0.01 0.00 4.15 -1.10 -1.75 115.11 117.59 1dkl h GLN 253 Ca 0.15 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 1dkl h GLN 253 Cb 0.07 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1dkl h GLN 253 CO -0.02 0.41 -0.29 0.74 -1.93 0.00 0.00 178.83 177.74 1dkl h PHE 254 N 0.64 0.02 -0.35 3.99 -1.00 -1.07 -0.74 116.94 118.43 1dkl h PHE 254 Ca 0.18 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 1dkl h PHE 254 Cb -0.06 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1dkl h PHE 254 CO -0.05 0.31 0.20 -0.92 -1.61 0.00 0.00 178.31 176.25 1dkl h TYR 255 N 0.02 0.46 -0.02 -0.55 3.20 0.25 -0.37 116.97 119.96 1dkl h TYR 255 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1dkl h TYR 255 Cb 0.53 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1dkl h TYR 255 CO 0.00 0.34 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.61 1dkl h LEU 256 N 0.45 0.20 0.00 2.82 3.38 -1.06 -3.15 115.31 117.94 1dkl h LEU 256 Ca 0.12 -0.70 -0.19 0.00 0.09 0.00 0.00 57.88 57.20 1dkl h LEU 256 Cb 0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1dkl h LEU 256 CO -0.02 0.86 -1.36 -0.07 0.09 0.00 0.00 178.44 177.95 1dkl h LEU 257 N -0.45 0.00 0.00 1.67 3.38 -1.19 -3.37 115.31 115.35 1dkl h LEU 257 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1dkl h LEU 257 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1dkl h LEU 257 CO 0.04 0.70 -1.33 0.00 0.09 0.00 0.00 178.44 177.94 1dkl n GLN 258 N -3.00 1.80 0.03 1.13 1.13 -0.25 -4.72 117.38 113.50 1dkl n GLN 258 Ca -0.09 -0.03 0.03 0.00 -1.94 0.00 0.00 57.00 54.97 1dkl n GLN 258 Cb 0.89 -1.14 -0.09 0.00 0.11 0.00 0.00 30.24 30.01 1dkl n GLN 258 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1dkl n ARG 259 N -1.98 0.63 -1.68 -1.09 1.74 -0.60 -3.45 116.66 110.23 1dkl n ARG 259 Ca -0.05 0.11 -0.50 0.00 -0.77 0.00 0.00 57.85 56.63 1dkl n ARG 259 Cb 0.45 -1.74 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 1dkl n ARG 259 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1dkl n THR 260 N -2.72 0.52 -0.26 0.55 -1.04 -1.19 -4.42 114.28 105.71 1dkl n THR 260 Ca -0.09 -0.11 0.06 0.00 -2.04 0.00 0.00 64.05 61.87 1dkl n THR 260 Cb 0.76 -1.77 0.18 0.00 -1.82 0.00 0.00 70.33 67.68 1dkl n THR 260 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1dkl h PRO 261 N 9.08 0.12 0.00 -2.82 0.11 -1.91 0.26 132.00 136.84 1dkl h PRO 261 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dkl h PRO 261 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1dkl h PRO 261 CO 0.95 0.08 0.24 0.93 -0.21 0.00 0.00 178.00 179.99 1dkl h GLU 262 N 0.12 0.00 0.00 1.05 3.07 -1.96 -0.73 114.58 116.13 1dkl h GLU 262 Ca 0.43 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 59.02 1dkl h GLU 262 Cb 0.78 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.64 1dkl h GLU 262 CO -0.66 0.00 -1.92 0.28 -1.40 0.00 0.00 179.01 175.30 1dkl n VAL 263 N -2.86 0.91 -0.37 3.13 0.31 -0.02 -4.68 118.33 114.75 1dkl n VAL 263 Ca -0.02 -0.25 -0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1dkl n VAL 263 Cb 0.29 -1.61 0.14 0.00 -0.91 0.00 0.00 33.84 31.75 1dkl n VAL 263 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dkl h ALA 264 N -0.50 1.34 -0.60 3.52 0.00 -0.25 -2.41 119.26 120.36 1dkl h ALA 264 Ca -0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1dkl h ALA 264 Cb 1.40 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1dkl h ALA 264 CO -0.22 0.58 0.37 0.00 0.00 0.00 0.00 179.25 179.97 1dkl h ARG 265 N 1.28 0.82 -0.15 0.00 3.08 -1.38 -0.62 114.38 117.42 1dkl h ARG 265 Ca 0.39 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.26 1dkl h ARG 265 Cb -0.04 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1dkl h ARG 265 CO -0.11 0.58 -0.33 0.77 -1.07 0.00 0.00 179.97 179.81 1dkl h SER 266 N 0.82 0.54 0.43 7.04 0.02 -1.76 -2.87 113.55 117.77 1dkl h SER 266 Ca 0.22 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 1dkl h SER 266 Cb -0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1dkl h SER 266 CO -0.04 1.01 -0.18 -0.09 -1.14 0.00 0.00 176.83 176.39 1dkl h ARG 267 N 0.09 0.00 -0.02 3.45 2.43 -1.32 -3.02 114.38 116.00 1dkl h ARG 267 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dkl h ARG 267 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1dkl h ARG 267 CO 0.07 0.18 -0.43 0.00 -1.51 0.00 0.00 179.97 178.28 1dkl n ALA 268 N -2.32 3.46 -0.10 2.80 0.00 -0.25 -4.44 120.51 119.66 1dkl n ALA 268 Ca -0.02 -0.65 -0.06 0.00 0.00 0.00 0.00 53.44 52.72 1dkl n ALA 268 Cb 0.29 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 18.96 1dkl n ALA 268 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1dkl h THR 269 N 2.62 0.76 -0.86 0.00 2.02 -1.37 0.15 112.91 116.23 1dkl h THR 269 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1dkl h THR 269 Cb 0.78 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1dkl h THR 269 CO 0.00 0.02 0.53 -0.65 0.37 0.00 0.00 175.52 175.79 1dkl h PRO 270 N 0.11 1.17 -0.45 6.66 0.11 -1.82 -0.90 132.00 136.88 1dkl h PRO 270 Ca 0.17 -0.10 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 1dkl h PRO 270 Cb 0.22 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1dkl h PRO 270 CO -0.27 0.81 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.03 1dkl h LEU 271 N 1.19 0.96 -1.36 2.35 3.38 -1.58 -1.39 115.31 118.85 1dkl h LEU 271 Ca 0.31 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1dkl h LEU 271 Cb -0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1dkl h LEU 271 CO -0.06 1.14 0.43 -0.07 0.09 0.00 0.00 178.44 179.97 1dkl h LEU 272 N 0.80 0.74 -0.17 1.67 3.38 -0.13 0.36 115.31 121.96 1dkl h LEU 272 Ca 0.10 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1dkl h LEU 272 Cb 0.80 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1dkl h LEU 272 CO 0.07 0.54 -0.43 0.44 0.09 0.00 0.00 178.44 179.15 1dkl h ASP 273 N 0.88 0.68 -0.44 -0.43 3.32 -0.83 -1.75 116.42 117.85 1dkl h ASP 273 Ca 0.24 -0.57 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1dkl h ASP 273 Cb -0.10 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1dkl h ASP 273 CO -0.05 1.13 0.24 0.25 -1.72 0.00 0.00 179.24 179.08 1dkl h LEU 274 N 0.26 0.55 -0.60 1.55 6.46 -0.88 -1.32 115.31 121.33 1dkl h LEU 274 Ca -0.00 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1dkl h LEU 274 Cb 1.04 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 1dkl h LEU 274 CO 0.09 0.48 0.27 0.40 -0.62 0.00 0.00 178.44 179.06 1dkl h ILE 275 N 0.57 1.22 -0.37 4.05 2.04 -0.94 -1.04 117.51 123.03 1dkl h ILE 275 Ca 0.15 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1dkl h ILE 275 Cb 0.05 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1dkl h ILE 275 CO -0.02 0.26 0.16 0.50 0.00 0.00 0.00 178.15 179.04 1dkl h LYS 276 N 0.82 0.55 -0.58 2.37 3.64 -1.08 -2.35 116.57 119.95 1dkl h LYS 276 Ca 0.20 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1dkl h LYS 276 Cb 0.15 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1dkl h LYS 276 CO -0.02 0.52 0.23 1.15 -2.27 0.00 0.00 179.45 179.06 1dkl h THR 277 N 0.46 1.21 -0.03 1.00 2.02 -0.99 -2.03 112.91 114.55 1dkl h THR 277 Ca 0.13 -0.65 -0.14 0.00 0.77 0.00 0.00 66.41 66.51 1dkl h THR 277 Cb 0.17 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1dkl h THR 277 CO -0.01 0.26 -0.62 0.00 0.37 0.00 0.00 175.52 175.52 1dkl h ALA 278 N 1.42 0.92 0.00 6.16 0.00 -1.01 -3.23 119.26 123.53 1dkl h ALA 278 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1dkl h ALA 278 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dkl h ALA 278 CO -0.02 0.76 -0.64 1.28 0.00 0.00 0.00 179.25 180.63 1dkl n LEU 279 N -3.83 0.61 -4.65 0.00 4.77 -0.90 -4.56 117.00 108.45 1dkl n LEU 279 Ca -0.02 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 1dkl n LEU 279 Cb 0.62 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1dkl n LEU 279 CO 0.43 0.13 0.68 -0.89 -1.33 0.00 0.00 177.39 176.41 1dkl s THR 280 N -3.02 4.82 0.25 -5.08 2.01 -0.78 -4.96 115.64 108.88 1dkl s THR 280 Ca 0.10 1.63 -0.30 0.00 0.31 0.00 0.00 61.69 63.43 1dkl s THR 280 Cb 0.17 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 1dkl s THR 280 CO 0.74 -0.08 1.42 -2.16 -0.69 0.00 0.00 174.62 173.85 1dkl s PRO 281 N 2.84 4.28 -0.29 4.92 0.04 -1.26 -4.73 135.00 140.81 1dkl s PRO 281 Ca 0.36 2.28 -0.27 0.00 0.04 0.00 0.00 61.00 63.41 1dkl s PRO 281 Cb -0.15 -3.11 0.19 0.00 0.04 0.00 0.00 34.50 31.47 1dkl s PRO 281 CO 0.07 -0.39 1.39 -1.58 0.04 0.00 0.00 177.00 176.53 1dkl s HIS 282 N -0.12 -0.06 0.30 0.56 2.46 -1.26 -5.10 115.29 112.06 1dkl s HIS 282 Ca 0.58 0.11 -0.29 0.00 0.47 0.00 0.00 55.06 55.93 1dkl s HIS 282 Cb -0.41 0.49 -0.13 0.00 -0.13 0.00 0.00 32.58 32.39 1dkl s HIS 282 CO 0.44 -0.04 1.24 -0.35 -2.47 0.00 0.00 174.74 173.56 1dkl n PRO 283 N 0.99 1.86 -1.46 2.88 -0.04 -1.26 -4.33 135.00 133.64 1dkl n PRO 283 Ca -0.05 0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 63.72 1dkl n PRO 283 Cb 0.58 -2.19 0.09 0.00 -0.04 0.00 0.00 33.50 31.94 1dkl n PRO 283 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1dkl s PRO 284 N -1.37 2.15 -0.25 0.54 0.04 -1.26 -4.72 135.00 130.13 1dkl s PRO 284 Ca 0.60 1.85 -0.27 0.00 0.04 0.00 0.00 61.00 63.21 1dkl s PRO 284 Cb -0.64 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.23 1dkl s PRO 284 CO 0.58 -1.85 1.17 1.14 0.04 0.00 0.00 177.00 178.09 1dkl s GLN 285 N -3.80 0.35 -0.02 4.56 -2.07 -1.04 -4.97 119.66 112.66 1dkl s GLN 285 Ca 0.76 0.22 -0.40 0.00 -1.82 0.00 0.00 55.36 54.13 1dkl s GLN 285 Cb -0.31 0.17 -0.19 0.00 -1.09 0.00 0.00 33.01 31.58 1dkl s GLN 285 CO 0.45 -0.08 1.15 1.63 -1.32 0.00 0.00 175.29 177.11 1dkl n LYS 286 N 1.27 0.18 -0.19 9.60 4.76 -1.26 -3.50 118.16 129.02 1dkl n LYS 286 Ca -0.09 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1dkl n LYS 286 Cb 0.57 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1dkl n LYS 286 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1dkl n GLN 287 N 1.83 3.02 -1.83 1.97 -0.06 0.34 -4.94 117.38 117.70 1dkl n GLN 287 Ca 0.20 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.82 1dkl n GLN 287 Cb 0.09 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.31 1dkl n GLN 287 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1dkl s ALA 288 N -2.00 2.79 0.00 1.69 0.00 -1.26 -1.98 121.76 121.00 1dkl s ALA 288 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1dkl s ALA 288 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1dkl s ALA 288 CO 0.00 -1.31 0.00 0.66 0.00 0.00 0.00 175.76 175.11 1dkl n TYR 289 N -1.06 0.00 -1.39 0.00 4.02 -1.26 -2.57 117.16 114.89 1dkl n TYR 289 Ca 0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.90 1dkl n TYR 289 Cb 0.46 -1.17 -0.04 0.00 -0.02 0.00 0.00 39.34 38.57 1dkl n TYR 289 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dkl n GLY 290 N -0.69 1.02 3.84 2.72 0.00 -0.84 -4.92 105.19 106.32 1dkl n GLY 290 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1dkl n GLY 290 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dkl s VAL 291 N -2.39 4.91 -0.18 1.61 1.01 -1.06 -4.76 120.40 119.53 1dkl s VAL 291 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 1dkl s VAL 291 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1dkl s VAL 291 CO 0.00 0.36 0.42 -0.89 0.00 0.00 0.00 175.10 174.99 1dkl s THR 292 N -1.32 5.19 0.07 3.92 2.01 -1.26 -0.51 115.64 123.74 1dkl s THR 292 Ca 0.33 0.77 0.06 0.00 0.31 0.00 0.00 61.69 63.15 1dkl s THR 292 Cb -0.16 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1dkl s THR 292 CO 0.18 0.26 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.45 1dkl s LEU 293 N 1.18 2.24 0.62 4.42 1.02 -1.23 -4.22 118.68 122.71 1dkl s LEU 293 Ca 0.21 -0.58 -0.11 0.00 0.02 0.00 0.00 54.13 53.66 1dkl s LEU 293 Cb -0.15 -0.67 -0.04 0.00 0.02 0.00 0.00 46.19 45.35 1dkl s LEU 293 CO 0.08 0.01 1.03 -2.84 0.02 0.00 0.00 176.35 174.65 1dkl s PRO 294 N -1.57 3.57 0.12 1.29 0.02 -1.26 -2.51 135.00 134.66 1dkl s PRO 294 Ca 0.02 0.79 0.02 0.00 0.02 0.00 0.00 61.00 61.85 1dkl s PRO 294 Cb -0.09 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 1dkl s PRO 294 CO 0.02 -0.59 0.08 -2.37 -0.33 0.00 0.00 177.00 173.81 1dkl n THR 295 N -2.68 0.00 0.04 0.99 5.66 -1.26 -4.75 114.28 112.27 1dkl n THR 295 Ca 0.06 -0.79 -0.11 0.00 -3.05 0.00 0.00 64.05 60.16 1dkl n THR 295 Cb 0.54 0.36 -0.08 0.00 -1.55 0.00 0.00 70.33 69.60 1dkl n THR 295 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1dkl h SER 296 N 0.62 -0.15 -3.40 1.09 0.02 -1.75 -3.43 113.55 106.57 1dkl h SER 296 Ca -0.09 -0.40 -0.48 0.00 -0.84 0.00 0.00 61.79 59.98 1dkl h SER 296 Cb 0.40 0.04 -0.34 0.00 0.14 0.00 0.00 62.40 62.63 1dkl h SER 296 CO 0.13 0.44 -0.80 -0.69 -1.14 0.00 0.00 176.83 174.77 1dkl s VAL 297 N -3.29 0.93 -0.17 2.27 1.01 -0.59 -1.31 120.40 119.25 1dkl s VAL 297 Ca -0.13 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1dkl s VAL 297 Cb 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1dkl s VAL 297 CO 0.49 0.32 -0.19 -0.22 0.00 0.00 0.00 175.10 175.50 1dkl s LEU 298 N 0.90 2.04 -0.19 3.92 0.20 -0.22 -0.24 118.68 125.08 1dkl s LEU 298 Ca -0.11 -0.62 -0.02 0.00 0.69 0.00 0.00 54.13 54.08 1dkl s LEU 298 Cb -0.15 -1.41 -0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1dkl s LEU 298 CO 0.01 -0.01 -0.11 0.12 -0.29 0.00 0.00 176.35 176.07 1dkl s PHE 299 N 1.33 2.87 -0.21 5.38 2.19 0.16 0.32 117.98 130.02 1dkl s PHE 299 Ca 0.05 -1.08 -0.02 0.00 0.33 0.00 0.00 56.93 56.20 1dkl s PHE 299 Cb -0.13 -1.99 0.00 0.00 -1.31 0.00 0.00 43.02 39.59 1dkl s PHE 299 CO -0.12 -0.55 -0.09 0.42 1.83 0.00 0.00 175.22 176.71 1dkl s ILE 300 N 1.17 2.95 -0.50 3.12 1.01 0.13 -0.61 121.20 128.47 1dkl s ILE 300 Ca 0.02 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 1dkl s ILE 300 Cb -0.14 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.04 1dkl s ILE 300 CO -0.04 0.43 0.63 0.00 0.00 0.00 0.00 174.94 175.96 1dkl s ALA 301 N 1.41 3.38 0.00 9.38 0.00 0.12 -0.29 121.76 135.76 1dkl s ALA 301 Ca 0.05 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1dkl s ALA 301 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1dkl s ALA 301 CO -0.06 -2.00 0.00 0.41 0.00 0.00 0.00 175.76 174.11 1dkl n GLY 302 N 5.16 5.30 3.51 0.00 0.00 0.16 -2.19 105.19 117.15 1dkl n GLY 302 Ca -0.06 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 1dkl n GLY 302 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dkl s HIS 303 N 3.41 1.96 0.30 1.61 3.76 -1.26 -1.69 115.29 123.39 1dkl s HIS 303 Ca 0.00 -1.01 -0.01 0.00 -0.15 0.00 0.00 55.06 53.89 1dkl s HIS 303 Cb 0.00 -1.33 0.45 0.00 1.11 0.00 0.00 32.58 32.81 1dkl s HIS 303 CO 0.00 -0.01 1.92 0.38 -0.85 0.00 0.00 174.74 176.18 1dkl h ASP 304 N 1.92 0.85 -0.88 1.40 3.04 -1.93 -2.06 116.42 118.75 1dkl h ASP 304 Ca -0.40 -0.07 0.07 0.00 -3.24 0.00 0.00 57.03 53.39 1dkl h ASP 304 Cb 1.26 -0.22 -0.07 0.00 -1.04 0.00 0.00 39.33 39.27 1dkl h ASP 304 CO 0.68 0.70 0.54 0.71 -2.04 0.00 0.00 179.24 179.83 1dkl h THR 305 N 0.95 1.01 -0.34 1.15 1.35 -1.96 -0.37 112.91 114.70 1dkl h THR 305 Ca 0.24 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 1dkl h THR 305 Cb 0.05 -0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.42 1dkl h THR 305 CO -0.04 0.18 0.19 0.78 -0.25 0.00 0.00 175.52 176.38 1dkl h ASN 306 N 0.97 0.43 -0.14 5.36 -0.26 -1.72 0.21 115.58 120.42 1dkl h ASN 306 Ca 0.40 -0.09 0.01 0.00 -0.56 0.00 0.00 56.30 56.06 1dkl h ASN 306 Cb 0.23 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1dkl h ASN 306 CO -0.19 0.39 0.06 -0.07 -1.06 0.00 0.00 177.43 176.56 1dkl h LEU 307 N 0.43 0.09 -0.98 1.61 3.38 -1.12 -0.98 115.31 117.74 1dkl h LEU 307 Ca 0.12 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1dkl h LEU 307 Cb 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1dkl h LEU 307 CO -0.02 0.07 0.05 0.00 0.09 0.00 0.00 178.44 178.63 1dkl h ALA 308 N 1.07 1.17 0.06 1.53 0.00 -0.84 -0.48 119.26 121.78 1dkl h ALA 308 Ca 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dkl h ALA 308 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1dkl h ALA 308 CO -0.04 0.55 -0.03 -0.91 0.00 0.00 0.00 179.25 178.82 1dkl h ASN 309 N 0.74 -0.07 -0.80 0.00 -0.26 -0.30 0.27 115.58 115.16 1dkl h ASN 309 Ca 0.15 -0.16 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 1dkl h ASN 309 Cb 0.38 0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.62 1dkl h ASN 309 CO 0.01 0.12 0.52 -0.07 -1.06 0.00 0.00 177.43 176.95 1dkl h LEU 310 N -0.26 0.88 -0.13 1.61 3.38 -1.04 0.17 115.31 119.92 1dkl h LEU 310 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1dkl h LEU 310 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1dkl h LEU 310 CO 0.01 0.62 0.01 1.23 0.09 0.00 0.00 178.44 180.40 1dkl h GLY 311 N 1.03 0.13 1.52 0.83 0.00 -0.85 -0.16 103.07 105.58 1dkl h GLY 311 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1dkl h GLY 311 CO -0.09 -0.01 -0.16 -1.33 0.00 0.00 0.00 176.54 174.94 1dkl h GLY 312 N 0.06 0.62 1.65 4.60 0.00 -0.32 -0.37 103.07 109.30 1dkl h GLY 312 Ca 0.06 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 46.75 1dkl h GLY 312 CO -0.09 0.43 -0.71 0.00 0.00 0.00 0.00 176.54 176.16 1dkl h ALA 313 N 1.31 0.65 -0.12 3.60 0.00 -0.38 -3.23 119.26 121.09 1dkl h ALA 313 Ca 0.09 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1dkl h ALA 313 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1dkl h ALA 313 CO 0.04 0.77 0.00 1.28 0.00 0.00 0.00 179.25 181.34 1dkl n LEU 314 N -3.83 2.55 -3.45 0.00 4.77 -0.10 -4.83 117.00 112.11 1dkl n LEU 314 Ca -0.04 -0.94 -0.18 0.00 -0.03 0.00 0.00 56.01 54.83 1dkl n LEU 314 Cb 0.69 -0.07 0.09 0.00 -2.33 0.00 0.00 43.42 41.81 1dkl n LEU 314 CO 0.47 0.47 0.11 -0.62 -1.33 0.00 0.00 177.39 176.49 1dkl n GLU 315 N 0.95 -6.64 -3.96 3.23 1.02 -0.49 -4.53 120.64 110.23 1dkl n GLU 315 Ca 0.17 0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 57.80 1dkl n GLU 315 Cb 0.51 -5.84 -0.14 0.00 -0.02 0.00 0.00 31.44 25.94 1dkl n GLU 315 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dkl s LEU 316 N -6.44 2.93 0.09 -4.62 1.02 -0.27 -3.74 118.68 107.66 1dkl s LEU 316 Ca 0.04 -0.37 0.08 0.00 0.02 0.00 0.00 54.13 53.90 1dkl s LEU 316 Cb -0.02 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.41 1dkl s LEU 316 CO 0.73 -0.00 -0.17 0.20 0.02 0.00 0.00 176.35 177.13 1dkl s ASN 317 N 1.39 3.90 0.09 2.29 0.01 -1.26 -4.49 114.94 116.87 1dkl s ASN 317 Ca 0.05 -0.50 -0.25 0.00 -0.71 0.00 0.00 52.86 51.44 1dkl s ASN 317 Cb -0.14 -0.59 0.08 0.00 0.41 0.00 0.00 41.25 41.01 1dkl s ASN 317 CO -0.02 0.20 0.73 -1.66 -1.51 0.00 0.00 177.10 174.84 1dkl s TRP 318 N -1.08 -0.45 -0.02 2.20 -2.14 -1.26 -4.93 118.94 111.27 1dkl s TRP 318 Ca 0.17 0.27 0.02 0.00 2.66 0.00 0.00 56.10 59.21 1dkl s TRP 318 Cb -0.11 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.82 1dkl s TRP 318 CO 0.09 -0.73 -0.05 0.99 -2.66 0.00 0.00 176.95 174.59 1dkl s THR 319 N -3.48 0.48 -0.36 0.66 2.01 -1.26 -5.00 115.64 108.68 1dkl s THR 319 Ca 0.03 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 1dkl s THR 319 Cb -0.01 -0.44 0.03 0.00 0.01 0.00 0.00 72.50 72.10 1dkl s THR 319 CO -0.11 0.16 0.16 -0.76 -0.69 0.00 0.00 174.62 173.38 1dkl s LEU 320 N 0.18 4.53 0.05 4.42 1.43 -1.26 -5.01 118.68 123.02 1dkl s LEU 320 Ca -0.02 -1.06 -0.30 0.00 -1.03 0.00 0.00 54.13 51.72 1dkl s LEU 320 Cb -0.06 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.12 1dkl s LEU 320 CO -0.00 -0.36 1.81 -2.16 0.23 0.00 0.00 176.35 175.88 1dkl s PRO 321 N 1.49 4.16 0.00 1.29 0.04 -1.26 -1.31 135.00 139.40 1dkl s PRO 321 Ca 0.00 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1dkl s PRO 321 Cb -0.19 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1dkl s PRO 321 CO 0.05 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1dkl n GLY 322 N 4.29 0.77 2.60 0.56 0.00 -1.26 -4.88 105.19 107.27 1dkl n GLY 322 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1dkl n GLY 322 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dkl s GLN 323 N -0.41 0.41 0.48 1.61 2.00 -0.43 -0.28 119.66 123.05 1dkl s GLN 323 Ca 0.00 -0.81 0.17 0.00 -2.00 0.00 0.00 55.36 52.71 1dkl s GLN 323 Cb 0.00 -1.46 1.17 0.00 0.80 0.00 0.00 33.01 33.52 1dkl s GLN 323 CO 0.00 -1.03 2.05 -1.00 -0.50 0.00 0.00 175.29 174.80 1dkl h PRO 324 N 8.14 0.20 -5.81 1.67 0.13 -1.92 -3.39 132.00 131.01 1dkl h PRO 324 Ca -0.15 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.38 1dkl h PRO 324 Cb 1.01 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.01 1dkl h PRO 324 CO 0.44 0.13 0.41 0.34 -0.23 0.00 0.00 178.00 179.08 1dkl s ASP 325 N -6.54 6.85 0.55 1.44 3.68 -1.26 -4.77 116.67 116.61 1dkl s ASP 325 Ca -0.06 1.05 0.32 0.00 2.13 0.00 0.00 52.55 55.98 1dkl s ASP 325 Cb 0.19 -2.43 1.57 0.00 -1.45 0.00 0.00 42.92 40.80 1dkl s ASP 325 CO 0.72 -0.46 2.09 0.78 0.13 0.00 0.00 175.17 178.43 1dkl h ASN 326 N 7.57 0.00 -2.12 -0.34 2.35 -1.93 -3.22 115.58 117.90 1dkl h ASN 326 Ca -0.26 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.93 1dkl h ASN 326 Cb 1.11 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.07 1dkl h ASN 326 CO 0.85 0.08 -0.85 0.35 -1.65 0.00 0.00 177.43 176.21 1dkl n THR 327 N -3.40 1.14 -1.61 2.81 -2.24 -1.26 -4.94 114.28 104.78 1dkl n THR 327 Ca -0.01 -4.81 -0.33 0.00 -2.27 0.00 0.00 64.05 56.64 1dkl n THR 327 Cb 0.24 -1.67 0.06 0.00 -2.10 0.00 0.00 70.33 66.86 1dkl n THR 327 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1dkl s PRO 328 N -2.23 2.62 0.29 -0.78 0.04 -1.22 -4.73 135.00 128.99 1dkl s PRO 328 Ca 0.40 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1dkl s PRO 328 Cb 0.21 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.70 1dkl s PRO 328 CO -0.07 -1.39 1.54 -0.35 0.04 0.00 0.00 177.00 176.77 1dkl n PRO 329 N -2.72 2.54 -0.05 0.56 -0.04 -1.26 -0.14 135.00 133.89 1dkl n PRO 329 Ca 0.10 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1dkl n PRO 329 Cb 0.52 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1dkl n PRO 329 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dkl n GLY 330 N 2.04 2.80 3.64 0.55 0.00 -0.73 -4.83 105.19 108.67 1dkl n GLY 330 Ca 0.09 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 1dkl n GLY 330 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkl n GLY 331 N -2.00 0.61 3.15 -0.02 0.00 0.81 -4.56 105.19 103.17 1dkl n GLY 331 Ca 0.00 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 1dkl n GLY 331 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dkl s GLU 332 N -0.13 2.86 -0.42 1.61 2.02 0.12 -1.28 118.70 123.48 1dkl s GLU 332 Ca 0.72 -0.80 -0.17 0.00 0.02 0.00 0.00 54.97 54.75 1dkl s GLU 332 Cb -0.73 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.19 1dkl s GLU 332 CO 0.48 -0.03 0.41 -1.17 0.02 0.00 0.00 175.26 174.98 1dkl s LEU 333 N 0.85 4.90 -0.21 1.80 2.96 -0.18 0.03 118.68 128.83 1dkl s LEU 333 Ca -0.07 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.06 1dkl s LEU 333 Cb -0.15 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1dkl s LEU 333 CO -0.02 -0.56 0.08 -0.69 -1.32 0.00 0.00 176.35 173.85 1dkl s VAL 334 N 2.06 4.79 -0.13 1.68 1.01 -0.13 -1.19 120.40 128.48 1dkl s VAL 334 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1dkl s VAL 334 Cb -0.17 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1dkl s VAL 334 CO 0.13 0.41 -0.10 -0.36 0.00 0.00 0.00 175.10 175.18 1dkl s PHE 335 N 0.77 2.88 -0.01 5.22 0.08 0.51 -1.58 117.98 125.84 1dkl s PHE 335 Ca 0.04 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 56.66 1dkl s PHE 335 Cb -0.13 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1dkl s PHE 335 CO 0.02 -0.10 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.71 1dkl s GLU 336 N 0.23 1.06 -0.24 0.44 2.02 0.20 -0.39 118.70 122.03 1dkl s GLU 336 Ca -0.06 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 54.40 1dkl s GLU 336 Cb -0.15 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 1dkl s GLU 336 CO 0.04 0.25 0.09 0.50 0.02 0.00 0.00 175.26 176.17 1dkl s ARG 337 N -0.23 3.79 -0.07 1.61 3.52 0.46 -1.38 118.95 126.64 1dkl s ARG 337 Ca 0.04 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1dkl s ARG 337 Cb -0.06 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 1dkl s ARG 337 CO -0.00 -0.07 -0.17 -1.58 -0.81 0.00 0.00 175.30 172.67 1dkl s TRP 338 N 1.32 2.65 -0.18 5.12 0.52 0.91 -1.36 118.94 127.91 1dkl s TRP 338 Ca 0.05 -0.44 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 1dkl s TRP 338 Cb -0.15 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1dkl s TRP 338 CO 0.04 -0.03 -0.01 0.50 0.02 0.00 0.00 176.95 177.47 1dkl s ARG 339 N -0.30 3.64 -0.56 4.98 3.52 0.25 0.29 118.95 130.77 1dkl s ARG 339 Ca 0.02 -0.52 -0.25 0.00 -0.13 0.00 0.00 55.73 54.85 1dkl s ARG 339 Cb -0.13 -3.01 0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1dkl s ARG 339 CO 0.03 0.11 1.02 0.50 -0.81 0.00 0.00 175.30 176.14 1dkl s ARG 340 N 0.73 3.38 0.30 5.12 3.52 -0.22 -0.81 118.95 130.98 1dkl s ARG 340 Ca -0.01 -0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.53 1dkl s ARG 340 Cb -0.14 -4.04 0.81 0.00 -1.56 0.00 0.00 34.95 30.01 1dkl s ARG 340 CO 0.02 -1.55 1.68 -0.07 -0.81 0.00 0.00 175.30 174.57 1dkl h LEU 341 N 11.26 0.33 -0.99 -0.88 3.38 -1.65 0.12 115.31 126.90 1dkl h LEU 341 Ca -0.26 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.06 1dkl h LEU 341 Cb 1.07 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.87 1dkl h LEU 341 CO 1.12 -0.05 0.59 0.77 0.09 0.00 0.00 178.44 180.96 1dkl h SER 342 N 0.37 0.77 0.00 -0.43 4.64 -1.92 -3.21 113.55 113.77 1dkl h SER 342 Ca 0.60 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1dkl h SER 342 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1dkl h SER 342 CO -0.56 0.29 -0.06 -0.90 -0.87 0.00 0.00 176.83 174.73 1dkl n ASP 343 N -4.77 0.97 -0.85 4.97 3.85 -0.96 -5.00 116.55 114.76 1dkl n ASP 343 Ca 0.22 -1.70 -0.11 0.00 -0.71 0.00 0.00 54.79 52.49 1dkl n ASP 343 Cb 0.53 -0.07 -0.05 0.00 -1.35 0.00 0.00 41.12 40.19 1dkl n ASP 343 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1dkl n ASN 344 N -0.33 -5.70 -4.77 -1.12 4.13 0.39 -4.95 115.26 102.91 1dkl n ASN 344 Ca 0.02 0.27 -0.37 0.00 1.68 0.00 0.00 54.58 56.18 1dkl n ASN 344 Cb 0.45 -4.17 -0.00 0.00 -1.54 0.00 0.00 39.78 34.51 1dkl n ASN 344 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1dkl s SER 345 N -2.42 5.96 -0.10 6.41 1.04 -1.21 -4.76 113.70 118.61 1dkl s SER 345 Ca 0.00 2.32 -0.02 0.00 0.48 0.00 0.00 55.95 58.73 1dkl s SER 345 Cb 0.00 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 1dkl s SER 345 CO 0.00 -1.06 -0.02 -1.10 0.98 0.00 0.00 173.24 172.04 1dkl s GLN 346 N -2.87 3.15 0.05 4.02 -1.52 -1.26 -1.05 119.66 120.19 1dkl s GLN 346 Ca 0.67 -0.45 0.05 0.00 -1.95 0.00 0.00 55.36 53.68 1dkl s GLN 346 Cb -0.29 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.67 1dkl s GLN 346 CO 0.34 0.57 -0.14 -1.58 -0.25 0.00 0.00 175.29 174.23 1dkl s TRP 347 N -0.52 1.24 -0.17 0.91 0.52 0.14 -1.52 118.94 119.54 1dkl s TRP 347 Ca 0.09 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.79 1dkl s TRP 347 Cb -0.12 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.47 1dkl s TRP 347 CO 0.02 0.05 -0.10 0.42 0.02 0.00 0.00 176.95 177.36 1dkl s ILE 348 N -1.03 3.10 -0.04 2.03 -1.09 0.39 -0.06 121.20 124.50 1dkl s ILE 348 Ca 0.00 -0.61 0.05 0.00 -2.23 0.00 0.00 60.65 57.86 1dkl s ILE 348 Cb -0.09 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.42 1dkl s ILE 348 CO 0.02 0.48 -0.20 -1.58 -1.23 0.00 0.00 174.94 172.43 1dkl s GLN 349 N 0.91 2.37 0.00 2.79 0.74 -0.48 -1.35 119.66 124.65 1dkl s GLN 349 Ca -0.02 -0.80 0.05 0.00 0.05 0.00 0.00 55.36 54.64 1dkl s GLN 349 Cb -0.15 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.71 1dkl s GLN 349 CO -0.00 0.57 -0.16 0.08 -0.55 0.00 0.00 175.29 175.23 1dkl s VAL 350 N -0.61 1.29 0.24 1.34 1.01 -1.26 -0.62 120.40 121.79 1dkl s VAL 350 Ca 0.09 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1dkl s VAL 350 Cb -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1dkl s VAL 350 CO 0.00 0.29 0.52 -0.94 0.00 0.00 0.00 175.10 174.97 1dkl s SER 351 N -0.58 -0.14 -0.19 3.32 1.04 -0.62 -1.43 113.70 115.11 1dkl s SER 351 Ca 0.06 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1dkl s SER 351 Cb -0.07 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1dkl s SER 351 CO -0.00 -1.15 -0.17 -0.22 0.98 0.00 0.00 173.24 172.67 1dkl s LEU 352 N -2.98 2.33 -0.12 2.42 1.98 0.14 -0.96 118.68 121.49 1dkl s LEU 352 Ca 0.19 -0.69 -0.03 0.00 -2.89 0.00 0.00 54.13 50.70 1dkl s LEU 352 Cb -0.01 -1.51 -0.03 0.00 0.66 0.00 0.00 46.19 45.29 1dkl s LEU 352 CO 0.07 -0.02 -0.00 -0.69 -1.89 0.00 0.00 176.35 173.81 1dkl s VAL 353 N 1.29 4.24 0.06 1.68 1.01 0.10 -0.93 120.40 127.85 1dkl s VAL 353 Ca 0.04 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1dkl s VAL 353 Cb -0.14 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.49 1dkl s VAL 353 CO -0.11 0.55 0.66 0.72 0.00 0.00 0.00 175.10 176.91 1dkl s PHE 354 N -0.31 -0.57 0.05 5.22 -0.12 -0.58 0.10 117.98 121.77 1dkl s PHE 354 Ca 0.06 0.65 -0.19 0.00 -0.05 0.00 0.00 56.93 57.41 1dkl s PHE 354 Cb -0.12 0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 42.70 1dkl s PHE 354 CO 0.02 -0.72 0.56 -0.65 -0.05 0.00 0.00 175.22 174.38 1dkl s GLN 355 N -2.61 4.21 0.87 1.99 -0.21 -1.26 0.94 119.66 123.59 1dkl s GLN 355 Ca -0.04 0.72 -0.11 0.00 0.02 0.00 0.00 55.36 55.95 1dkl s GLN 355 Cb -0.01 -3.26 0.11 0.00 1.00 0.00 0.00 33.01 30.86 1dkl s GLN 355 CO -0.03 0.59 1.09 0.95 -2.12 0.00 0.00 175.29 175.77 1dkl s THR 356 N -0.93 2.79 0.38 -0.19 -4.23 -1.26 -4.84 115.64 107.36 1dkl s THR 356 Ca 0.29 0.26 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1dkl s THR 356 Cb -0.19 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.18 1dkl s THR 356 CO 0.18 -0.34 2.02 0.25 -0.54 0.00 0.00 174.62 176.20 1dkl h LEU 357 N -1.48 0.56 -0.27 4.79 5.85 -1.01 -2.16 115.31 121.61 1dkl h LEU 357 Ca -0.48 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1dkl h LEU 357 Cb 1.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1dkl h LEU 357 CO 0.53 0.43 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.44 1dkl h GLN 358 N 0.65 0.48 0.00 1.25 5.75 -1.91 -0.46 115.11 120.87 1dkl h GLN 358 Ca 0.17 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1dkl h GLN 358 Cb -0.02 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 1dkl h GLN 358 CO -0.03 0.66 -0.01 1.96 -2.65 0.00 0.00 178.83 178.76 1dkl h GLN 359 N 0.25 0.00 -0.01 1.69 4.20 -1.80 0.50 115.11 119.94 1dkl h GLN 359 Ca 0.07 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 1dkl h GLN 359 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.24 1dkl h GLN 359 CO 0.02 0.01 -0.31 0.52 -0.67 0.00 0.00 178.83 178.40 1dkl h MET 360 N 0.00 0.22 -0.36 1.46 2.86 -1.02 -1.25 114.93 116.84 1dkl h MET 360 Ca -0.00 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1dkl h MET 360 Cb 0.01 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1dkl h MET 360 CO 0.00 0.94 0.09 -0.09 1.06 0.00 0.00 176.91 178.91 1dkl h ARG 361 N -0.40 0.22 -0.00 1.72 1.12 -0.39 -2.35 114.38 114.29 1dkl h ARG 361 Ca -0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1dkl h ARG 361 Cb 1.04 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.95 1dkl h ARG 361 CO 0.06 0.14 -0.18 -0.25 -3.11 0.00 0.00 179.97 176.64 1dkl n ASP 362 N -5.06 0.59 -3.75 -3.80 8.00 0.10 -4.74 116.55 107.89 1dkl n ASP 362 Ca 0.01 -0.56 -0.24 0.00 0.71 0.00 0.00 54.79 54.71 1dkl n ASP 362 Cb 0.15 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.25 1dkl n ASP 362 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1dkl n LYS 363 N -0.96 -3.71 -2.61 -1.24 4.81 -0.56 -4.89 118.16 109.00 1dkl n LYS 363 Ca 0.13 0.54 -0.43 0.00 -0.87 0.00 0.00 58.31 57.68 1dkl n LYS 363 Cb 0.30 -4.84 -0.02 0.00 0.02 0.00 0.00 35.03 30.49 1dkl n LYS 363 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1dkl s THR 364 N -3.71 4.61 0.33 3.15 -4.23 -0.70 -4.99 115.64 110.09 1dkl s THR 364 Ca 0.10 1.90 -0.29 0.00 -1.18 0.00 0.00 61.69 62.22 1dkl s THR 364 Cb -0.03 -4.22 -0.11 0.00 1.34 0.00 0.00 72.50 69.48 1dkl s THR 364 CO 0.84 -0.04 1.44 -2.16 -0.54 0.00 0.00 174.62 174.16 1dkl s PRO 365 N 2.38 4.21 0.20 3.99 0.04 -1.26 -4.98 135.00 139.58 1dkl s PRO 365 Ca 0.50 2.43 0.01 0.00 0.04 0.00 0.00 61.00 63.98 1dkl s PRO 365 Cb -0.19 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1dkl s PRO 365 CO 0.16 -0.43 0.37 -0.51 0.04 0.00 0.00 177.00 176.63 1dkl s LEU 366 N -1.50 4.26 0.18 -3.56 1.43 -1.26 -4.92 118.68 113.31 1dkl s LEU 366 Ca 0.54 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.69 1dkl s LEU 366 Cb -0.44 -3.05 0.07 0.00 0.03 0.00 0.00 46.19 42.80 1dkl s LEU 366 CO 0.55 -0.04 0.98 -0.94 0.23 0.00 0.00 176.35 177.13 1dkl s SER 367 N -3.38 -0.09 0.24 2.29 1.04 -0.56 -4.54 113.70 108.70 1dkl s SER 367 Ca 0.37 -0.56 -0.06 0.00 0.48 0.00 0.00 55.95 56.18 1dkl s SER 367 Cb -0.11 0.52 0.28 0.00 0.10 0.00 0.00 66.02 66.81 1dkl s SER 367 CO 0.29 -0.99 1.90 0.25 0.98 0.00 0.00 173.24 175.67 1dkl h LEU 368 N 2.00 1.02 -0.89 2.42 5.85 -1.96 -0.79 115.31 122.97 1dkl h LEU 368 Ca -0.26 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 1dkl h LEU 368 Cb 1.23 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1dkl h LEU 368 CO 0.30 0.70 -0.39 -1.13 -0.34 0.00 0.00 178.44 177.58 1dkl h ASN 369 N 1.19 0.34 -2.58 1.25 -1.24 -2.00 -3.33 115.58 109.20 1dkl h ASN 369 Ca 0.37 -0.14 -0.60 0.00 0.71 0.00 0.00 56.30 56.63 1dkl h ASN 369 Cb -0.02 -0.10 -0.41 0.00 0.73 0.00 0.00 38.32 38.53 1dkl h ASN 369 CO -0.11 0.71 -0.75 0.41 -1.29 0.00 0.00 177.43 176.39 1dkl n THR 370 N -4.04 0.73 -1.80 -3.57 -1.04 -0.78 -5.12 114.28 98.67 1dkl n THR 370 Ca -0.01 -4.45 -0.30 0.00 -2.04 0.00 0.00 64.05 57.25 1dkl n THR 370 Cb 0.48 -2.00 0.07 0.00 -1.82 0.00 0.00 70.33 67.06 1dkl n THR 370 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1dkl s PRO 371 N -1.24 2.48 0.85 -2.82 0.04 -0.37 -1.49 135.00 132.46 1dkl s PRO 371 Ca 0.31 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1dkl s PRO 371 Cb 0.05 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.71 1dkl s PRO 371 CO -0.14 -1.30 1.16 -1.25 0.04 0.00 0.00 177.00 175.52 1dkl s PRO 372 N -5.34 1.66 0.80 0.56 0.04 -1.26 -4.92 135.00 126.54 1dkl s PRO 372 Ca 0.60 0.19 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 1dkl s PRO 372 Cb -0.12 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.59 1dkl s PRO 372 CO 0.52 -1.82 1.15 0.20 0.04 0.00 0.00 177.00 177.09 1dkl s GLY 373 N -4.36 1.93 -0.23 0.56 0.00 0.27 -4.82 107.32 100.66 1dkl s GLY 373 Ca 0.63 0.61 -0.16 0.00 0.00 0.00 0.00 44.72 45.80 1dkl s GLY 373 CO 0.51 1.00 0.58 1.85 0.00 0.00 0.00 173.10 177.03 1dkl s GLU 374 N -4.43 0.61 -0.09 2.90 2.12 -1.26 -1.53 118.70 117.02 1dkl s GLU 374 Ca 0.68 0.97 0.03 0.00 0.36 0.00 0.00 54.97 57.00 1dkl s GLU 374 Cb -0.23 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.32 1dkl s GLU 374 CO 0.52 -0.13 -0.18 0.08 -0.54 0.00 0.00 175.26 175.01 1dkl s VAL 375 N 1.12 1.62 0.00 3.70 1.01 -0.11 -4.97 120.40 122.77 1dkl s VAL 375 Ca -0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1dkl s VAL 375 Cb -0.06 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1dkl s VAL 375 CO -0.11 0.46 0.92 -0.75 0.00 0.00 0.00 175.10 175.62 1dkl s LYS 376 N 0.60 4.55 0.14 2.72 2.47 -1.26 -0.69 119.74 128.27 1dkl s LYS 376 Ca -0.15 1.31 0.05 0.00 -1.56 0.00 0.00 55.97 55.62 1dkl s LYS 376 Cb -0.17 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1dkl s LYS 376 CO 0.05 0.01 0.11 -0.51 0.16 0.00 0.00 175.35 175.17 1dkl s LEU 377 N 0.82 3.77 -0.10 5.43 1.02 -0.51 -4.96 118.68 124.15 1dkl s LEU 377 Ca 0.48 -0.11 0.03 0.00 0.02 0.00 0.00 54.13 54.55 1dkl s LEU 377 Cb -0.21 -2.41 0.01 0.00 0.02 0.00 0.00 46.19 43.60 1dkl s LEU 377 CO 0.26 0.10 -0.20 -0.89 0.02 0.00 0.00 176.35 175.65 1dkl s THR 378 N -1.64 1.77 -0.57 5.49 2.01 -1.26 -4.51 115.64 116.92 1dkl s THR 378 Ca 0.30 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 61.20 1dkl s THR 378 Cb -0.11 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.83 1dkl s THR 378 CO 0.23 0.50 1.73 -0.76 -0.69 0.00 0.00 174.62 175.62 1dkl s LEU 379 N 0.62 3.33 0.27 4.42 1.43 -1.26 -4.79 118.68 122.70 1dkl s LEU 379 Ca -0.13 0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1dkl s LEU 379 Cb -0.17 -2.77 0.51 0.00 0.03 0.00 0.00 46.19 43.80 1dkl s LEU 379 CO 0.04 -2.12 1.58 0.00 0.23 0.00 0.00 176.35 176.08 1dkl h ALA 380 N 13.59 0.79 -0.09 4.21 0.00 -1.80 -0.49 119.26 135.48 1dkl h ALA 380 Ca -0.27 0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1dkl h ALA 380 Cb 1.14 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1dkl h ALA 380 CO 1.19 -0.45 -0.54 0.78 0.00 0.00 0.00 179.25 180.23 1dkl h GLY 381 N 0.02 0.28 -4.52 0.00 0.00 -1.86 -3.46 103.07 93.52 1dkl h GLY 381 Ca 0.48 -0.31 -0.58 0.00 0.00 0.00 0.00 47.33 46.92 1dkl h GLY 381 CO -0.90 0.28 0.56 0.00 0.00 0.00 0.00 176.54 176.48 1dkl n GLU 383 N 1.61 2.25 -3.35 0.00 1.02 -1.26 -4.89 120.64 116.01 1dkl n GLU 383 Ca 0.10 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.78 1dkl n GLU 383 Cb 0.33 -0.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 1dkl n GLU 383 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1dkl s GLU 384 N -1.58 3.80 0.14 3.49 2.12 -1.26 -5.04 118.70 120.37 1dkl s GLU 384 Ca 0.00 -2.78 0.05 0.00 0.36 0.00 0.00 54.97 52.60 1dkl s GLU 384 Cb 0.00 -4.45 -0.04 0.00 0.26 0.00 0.00 34.13 29.91 1dkl s GLU 384 CO 0.00 -1.27 0.08 1.03 -0.54 0.00 0.00 175.26 174.56 1dkl s ARG 385 N -0.44 2.75 0.12 4.30 0.52 -1.26 -1.84 118.95 123.11 1dkl s ARG 385 Ca 0.23 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1dkl s ARG 385 Cb -0.10 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.80 1dkl s ARG 385 CO -0.09 0.50 0.16 0.27 0.02 0.00 0.00 175.30 176.16 1dkl n ASN 386 N -0.04 0.27 -0.16 0.23 2.04 -0.75 -4.93 115.26 111.92 1dkl n ASN 386 Ca -0.09 -1.22 -0.06 0.00 -0.44 0.00 0.00 54.58 52.78 1dkl n ASN 386 Cb 0.54 -0.10 0.03 0.00 -2.53 0.00 0.00 39.78 37.72 1dkl n ASN 386 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1dkl h ALA 387 N -0.18 0.63 0.00 -2.53 0.00 -2.01 -2.33 119.26 112.84 1dkl h ALA 387 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dkl h ALA 387 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1dkl h ALA 387 CO 0.06 -0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1dkl n GLN 388 N -4.82 0.25 -0.60 0.00 3.00 -1.26 -4.81 117.38 109.15 1dkl n GLN 388 Ca 0.03 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1dkl n GLN 388 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.82 1dkl n GLN 388 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dkl n GLY 389 N -0.32 0.70 3.84 1.08 0.00 -0.88 -5.05 105.19 104.55 1dkl n GLY 389 Ca 0.07 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1dkl n GLY 389 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkl s MET 390 N -0.46 3.62 -0.12 1.61 -1.94 -1.26 -4.80 119.30 115.95 1dkl s MET 390 Ca 0.00 0.96 -0.06 0.00 -1.71 0.00 0.00 55.69 54.88 1dkl s MET 390 Cb 0.00 -2.08 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 1dkl s MET 390 CO 0.00 -0.55 0.12 0.00 -0.01 0.00 0.00 175.02 174.58 1dkl s SER 392 N -0.90 5.37 0.44 0.00 1.04 -0.76 0.15 113.70 119.03 1dkl s SER 392 Ca 0.14 2.42 0.20 0.00 0.48 0.00 0.00 55.95 59.19 1dkl s SER 392 Cb -0.12 -2.60 1.16 0.00 0.10 0.00 0.00 66.02 64.56 1dkl s SER 392 CO 0.03 -1.47 1.88 0.25 0.98 0.00 0.00 173.24 174.91 1dkl h LEU 393 N 1.15 0.32 -0.21 2.42 5.85 -1.60 0.52 115.31 123.76 1dkl h LEU 393 Ca -0.50 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 1dkl h LEU 393 Cb 1.29 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1dkl h LEU 393 CO 0.56 0.13 -0.37 0.00 -0.34 0.00 0.00 178.44 178.43 1dkl h ALA 394 N 1.62 0.33 -0.54 1.25 0.00 -1.90 0.14 119.26 120.16 1dkl h ALA 394 Ca 0.43 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dkl h ALA 394 Cb 1.19 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1dkl h ALA 394 CO -0.13 0.41 0.29 0.78 0.00 0.00 0.00 179.25 180.60 1dkl h GLY 395 N 0.32 0.81 0.89 0.00 0.00 -1.52 -0.45 103.07 103.12 1dkl h GLY 395 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1dkl h GLY 395 CO 0.08 0.36 0.09 -2.75 0.00 0.00 0.00 176.54 174.32 1dkl h PHE 396 N 0.73 0.36 -0.57 5.60 3.04 -0.86 -2.03 116.94 123.21 1dkl h PHE 396 Ca 0.19 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.13 1dkl h PHE 396 Cb 0.06 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.43 1dkl h PHE 396 CO -0.01 0.39 0.38 1.15 -2.02 0.00 0.00 178.31 178.20 1dkl h THR 397 N 0.22 1.12 -0.27 4.41 2.02 -0.45 -1.50 112.91 118.45 1dkl h THR 397 Ca 0.08 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1dkl h THR 397 Cb 0.19 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1dkl h THR 397 CO -0.01 0.13 -0.05 -0.61 0.37 0.00 0.00 175.52 175.36 1dkl h GLN 398 N 0.73 0.51 -0.37 6.66 4.15 -0.78 -1.22 115.11 124.79 1dkl h GLN 398 Ca 0.21 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1dkl h GLN 398 Cb -0.03 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 1dkl h GLN 398 CO -0.05 0.71 0.16 0.82 -1.93 0.00 0.00 178.83 178.54 1dkl h ILE 399 N 0.27 0.94 -0.55 2.39 2.04 -0.74 -1.85 117.51 120.01 1dkl h ILE 399 Ca 0.07 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1dkl h ILE 399 Cb 0.51 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1dkl h ILE 399 CO 0.02 0.06 0.33 0.58 0.00 0.00 0.00 178.15 179.14 1dkl h VAL 400 N 0.33 1.17 -0.21 1.67 2.07 -1.20 -0.68 116.25 119.40 1dkl h VAL 400 Ca 0.16 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1dkl h VAL 400 Cb 0.10 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1dkl h VAL 400 CO -0.14 0.17 -0.06 0.78 0.02 0.00 0.00 177.57 178.35 1dkl h ASN 401 N 0.74 0.30 1.40 0.57 2.35 -0.81 -2.05 115.58 118.08 1dkl h ASN 401 Ca 0.20 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1dkl h ASN 401 Cb -0.01 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1dkl h ASN 401 CO -0.04 0.41 -0.54 -0.33 -1.65 0.00 0.00 177.43 175.28 1dkl h GLU 402 N 0.31 0.00 0.18 0.81 5.08 -1.06 -3.36 114.58 116.55 1dkl h GLU 402 Ca 0.07 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.16 1dkl h GLU 402 Cb 0.31 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.58 1dkl h GLU 402 CO 0.01 0.00 -1.26 0.00 -1.00 0.00 0.00 179.01 176.77 1dkl h ALA 403 N 2.06 -0.03 -2.40 3.43 0.00 -0.67 -3.47 119.26 118.17 1dkl h ALA 403 Ca 0.00 -0.88 -0.52 0.00 0.00 0.00 0.00 54.91 53.51 1dkl h ALA 403 Cb 0.97 0.24 0.16 0.00 0.00 0.00 0.00 17.79 19.16 1dkl h ALA 403 CO 0.00 0.64 0.30 -0.98 0.00 0.00 0.00 179.25 179.21 1dkl s ARG 404 N -2.51 1.79 -0.40 0.00 1.04 -0.81 -4.79 118.95 113.26 1dkl s ARG 404 Ca -0.14 1.48 -0.03 0.00 -1.04 0.00 0.00 55.73 56.00 1dkl s ARG 404 Cb 0.03 -1.82 0.11 0.00 -2.04 0.00 0.00 34.95 31.23 1dkl s ARG 404 CO 0.86 -2.04 0.20 0.42 -0.04 0.00 0.00 175.30 174.69 1dkl s ILE 405 N -2.54 3.26 0.45 4.99 -1.09 -1.26 -4.98 121.20 120.03 1dkl s ILE 405 Ca 0.67 -2.05 0.30 0.00 -2.23 0.00 0.00 60.65 57.34 1dkl s ILE 405 Cb -0.22 -3.23 0.50 0.00 -1.58 0.00 0.00 42.46 37.92 1dkl s ILE 405 CO 0.53 -0.68 1.68 1.55 -1.23 0.00 0.00 174.94 176.79 1dkl h PRO 406 N 8.04 0.14 0.00 2.79 0.13 -1.95 0.60 132.00 141.75 1dkl h PRO 406 Ca -0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1dkl h PRO 406 Cb 1.05 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1dkl h PRO 406 CO 0.69 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 1dkl h ALA 407 N 1.52 1.00 -0.57 -0.56 0.00 -1.95 -1.89 119.26 116.80 1dkl h ALA 407 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1dkl h ALA 407 Cb 2.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1dkl h ALA 407 CO -0.29 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.96 1dkl s SER 409 N -1.20 6.00 0.00 0.00 0.01 -0.71 -4.27 113.70 113.53 1dkl s SER 409 Ca 0.43 1.98 0.30 0.00 1.31 0.00 0.00 55.95 59.98 1dkl s SER 409 Cb 0.24 -2.56 1.57 0.00 0.21 0.00 0.00 66.02 65.47 1dkl s SER 409 CO 0.32 -1.02 2.04 0.18 0.41 0.00 0.00 173.24 175.17