#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dwe s VAL 17 N 0.00 4.57 -1.63 1.39 1.01 -0.25 -3.93 120.40 121.55 1dwe s VAL 17 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1dwe s VAL 17 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1dwe s VAL 17 CO 0.00 0.55 0.00 -0.62 0.00 0.00 0.00 175.10 175.03 1dwe n GLU 18 N 2.73 -1.78 0.00 2.72 -0.58 -1.26 -2.62 120.64 119.85 1dwe n GLU 18 Ca -0.18 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1dwe n GLU 18 Cb 0.53 -5.53 0.00 0.00 -0.57 0.00 0.00 31.44 25.87 1dwe n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dwe n GLY 19 N -0.87 1.35 3.37 0.62 0.00 -1.26 -4.75 105.19 103.64 1dwe n GLY 19 Ca -0.22 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1dwe n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dwe s SER 20 N -1.00 0.02 0.27 1.61 0.01 -0.21 -4.90 113.70 109.51 1dwe s SER 20 Ca 0.00 -0.89 -0.29 0.00 1.31 0.00 0.00 55.95 56.07 1dwe s SER 20 Cb 0.00 0.46 -0.09 0.00 0.21 0.00 0.00 66.02 66.59 1dwe s SER 20 CO 0.00 -0.93 1.17 -1.81 0.41 0.00 0.00 173.24 172.08 1dwe s ASP 21 N -2.98 7.12 0.60 2.44 1.01 -1.26 0.24 116.67 123.83 1dwe s ASP 21 Ca 0.19 2.36 -0.10 0.00 0.71 0.00 0.00 52.55 55.71 1dwe s ASP 21 Cb 0.03 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1dwe s ASP 21 CO 0.02 -0.28 0.99 0.00 0.21 0.00 0.00 175.17 176.10 1dwe s ALA 22 N -0.94 3.15 0.60 5.23 0.00 0.18 -4.73 121.76 125.24 1dwe s ALA 22 Ca 0.47 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 1dwe s ALA 22 Cb -0.34 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1dwe s ALA 22 CO 0.43 -0.63 0.96 -1.21 0.00 0.00 0.00 175.76 175.31 1dwe s GLU 23 N -5.10 3.33 0.36 0.00 2.02 -1.26 -4.89 118.70 113.16 1dwe s GLU 23 Ca 0.54 0.43 -0.27 0.00 0.02 0.00 0.00 54.97 55.68 1dwe s GLU 23 Cb -0.11 -2.18 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1dwe s GLU 23 CO 0.52 -0.59 1.26 0.42 0.02 0.00 0.00 175.26 176.90 1dwe s ILE 24 N -3.07 2.84 -1.73 -1.63 1.01 -1.26 -2.81 121.20 114.55 1dwe s ILE 24 Ca 0.53 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1dwe s ILE 24 Cb -0.11 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1dwe s ILE 24 CO 0.50 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.19 1dwe n GLY 25 N 0.76 0.89 0.05 6.18 0.00 -1.26 -4.84 105.19 106.97 1dwe n GLY 25 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1dwe n GLY 25 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1dwe n MET 26 N -2.43 0.12 -2.84 1.61 0.00 -1.12 -4.23 117.12 108.23 1dwe n MET 26 Ca -0.19 0.10 -0.11 0.00 0.00 0.00 0.00 57.70 57.50 1dwe n MET 26 Cb 0.60 -1.64 0.03 0.00 0.00 0.00 0.00 33.22 32.21 1dwe n MET 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1dwe n SER 27 N -1.84 -2.24 0.00 6.12 2.88 -1.26 -5.02 113.62 112.26 1dwe n SER 27 Ca 0.06 -3.21 0.06 0.00 -1.33 0.00 0.00 58.87 54.46 1dwe n SER 27 Cb 0.38 1.33 0.38 0.00 -0.75 0.00 0.00 64.21 65.55 1dwe n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1dwe n PRO 28 N 1.52 0.42 0.00 -1.46 -0.04 -1.26 -2.17 135.00 132.02 1dwe n PRO 28 Ca 0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1dwe n PRO 28 Cb 0.61 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.63 1dwe n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1dwe n TRP 29 N -0.97 0.00 -2.27 0.54 2.14 -1.08 -1.71 117.44 114.08 1dwe n TRP 29 Ca 0.10 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.24 1dwe n TRP 29 Cb 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.52 1dwe n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1dwe s GLN 30 N -2.00 4.30 -0.02 -2.67 2.00 -0.92 0.51 119.66 120.85 1dwe s GLN 30 Ca 0.18 1.90 0.06 0.00 -2.00 0.00 0.00 55.36 55.51 1dwe s GLN 30 Cb 0.16 -3.57 -0.02 0.00 0.80 0.00 0.00 33.01 30.38 1dwe s GLN 30 CO 0.41 -0.55 -0.21 0.08 -0.50 0.00 0.00 175.29 174.52 1dwe s VAL 31 N 2.36 2.48 -0.15 1.34 1.01 -0.14 -4.19 120.40 123.11 1dwe s VAL 31 Ca 0.62 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1dwe s VAL 31 Cb -0.30 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1dwe s VAL 31 CO 0.25 0.56 0.07 -0.32 0.00 0.00 0.00 175.10 175.67 1dwe s MET 32 N -0.74 3.66 -0.50 2.72 1.75 -0.46 -0.45 119.30 125.28 1dwe s MET 32 Ca 0.11 -0.30 -0.16 0.00 -1.25 0.00 0.00 55.69 54.09 1dwe s MET 32 Cb -0.10 -3.13 0.08 0.00 2.84 0.00 0.00 34.83 34.52 1dwe s MET 32 CO 0.00 0.49 0.48 -1.17 -0.65 0.00 0.00 175.02 174.17 1dwe s LEU 33 N -0.23 5.61 -0.15 4.11 2.96 0.14 -1.23 118.68 129.89 1dwe s LEU 33 Ca 0.08 -1.36 -0.08 0.00 -0.22 0.00 0.00 54.13 52.56 1dwe s LEU 33 Cb -0.12 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1dwe s LEU 33 CO 0.01 -0.77 0.13 0.12 -1.32 0.00 0.00 176.35 174.53 1dwe s PHE 34 N 1.88 3.52 -0.11 5.38 5.36 0.49 -0.70 117.98 133.80 1dwe s PHE 34 Ca 0.06 0.45 -0.19 0.00 -0.96 0.00 0.00 56.93 56.29 1dwe s PHE 34 Cb -0.25 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 1dwe s PHE 34 CO 0.07 0.58 0.52 0.50 -1.46 0.00 0.00 175.22 175.42 1dwe s ARG 35 N -0.54 4.35 0.06 10.12 3.52 -0.04 -0.72 118.95 135.70 1dwe s ARG 35 Ca 0.12 0.52 -0.27 0.00 -0.13 0.00 0.00 55.73 55.98 1dwe s ARG 35 Cb -0.12 -3.44 -0.17 0.00 -1.56 0.00 0.00 34.95 29.66 1dwe s ARG 35 CO 0.02 0.13 1.55 0.87 -0.81 0.00 0.00 175.30 177.06 1dwe h LYS 36 N 6.74 -0.43 -2.50 5.12 1.57 -1.76 -2.95 116.57 122.36 1dwe h LYS 36 Ca -0.41 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.28 1dwe h LYS 36 Cb 1.18 0.10 -0.28 0.00 0.08 0.00 0.00 32.23 33.31 1dwe h LYS 36 CO 0.76 -0.21 -0.40 0.45 -0.57 0.00 0.00 179.45 179.47 1dwe s SER 36 N -4.89 -0.13 0.58 0.86 0.15 -1.26 -3.18 113.70 105.82 1dwe s SER 36 Ca -0.15 0.87 -0.17 0.00 0.70 0.00 0.00 55.95 57.20 1dwe s SER 36 Cb 0.04 1.25 -0.04 0.00 -1.71 0.00 0.00 66.02 65.56 1dwe s SER 36 CO 0.62 -0.24 1.07 -2.16 1.20 0.00 0.00 173.24 173.73 1dwe s PRO 37 N 2.58 3.31 0.17 5.44 0.04 -1.26 -5.06 135.00 140.22 1dwe s PRO 37 Ca 0.00 1.33 -0.32 0.00 0.04 0.00 0.00 61.00 62.05 1dwe s PRO 37 Cb -0.12 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 1dwe s PRO 37 CO -0.12 -0.83 1.68 -0.65 0.04 0.00 0.00 177.00 177.12 1dwe s GLN 38 N -3.81 4.16 -0.13 4.56 -0.21 -1.19 -4.73 119.66 118.31 1dwe s GLN 38 Ca 0.66 2.50 -0.32 0.00 0.02 0.00 0.00 55.36 58.22 1dwe s GLN 38 Cb -0.18 -3.23 0.13 0.00 1.00 0.00 0.00 33.01 30.73 1dwe s GLN 38 CO 0.33 -0.72 1.09 -1.83 -2.12 0.00 0.00 175.29 172.04 1dwe s GLU 39 N 1.53 0.49 -0.35 2.91 -1.05 -1.11 -4.97 118.70 116.14 1dwe s GLU 39 Ca 0.74 -0.15 -0.27 0.00 -0.15 0.00 0.00 54.97 55.14 1dwe s GLU 39 Cb -0.46 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.47 1dwe s GLU 39 CO 0.32 -0.21 0.96 -1.17 0.95 0.00 0.00 175.26 176.12 1dwe s LEU 40 N -2.16 3.97 -0.13 1.83 0.20 -1.26 -0.86 118.68 120.27 1dwe s LEU 40 Ca 0.07 0.72 -0.10 0.00 0.69 0.00 0.00 54.13 55.51 1dwe s LEU 40 Cb -0.01 -3.33 -0.07 0.00 -0.43 0.00 0.00 46.19 42.34 1dwe s LEU 40 CO -0.06 -0.86 0.13 -0.07 -0.29 0.00 0.00 176.35 175.20 1dwe h LEU 41 N 10.07 0.00 0.00 -0.68 3.38 -1.27 -3.48 115.31 123.32 1dwe h LEU 41 Ca -0.22 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1dwe h LEU 41 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1dwe h LEU 41 CO 0.99 0.74 0.39 0.00 0.09 0.00 0.00 178.44 180.66 1dwe n GLY 43 N -0.56 1.15 3.90 0.00 0.00 -0.24 0.28 105.19 109.72 1dwe n GLY 43 Ca -0.05 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.91 1dwe n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dwe s ALA 44 N -2.89 -2.44 0.03 4.61 0.00 0.40 -4.15 121.76 117.32 1dwe s ALA 44 Ca 0.50 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.68 1dwe s ALA 44 Cb -0.03 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1dwe s ALA 44 CO 0.33 -1.13 -0.06 -1.54 0.00 0.00 0.00 175.76 173.36 1dwe s SER 45 N -3.62 0.61 -0.37 0.00 1.04 -0.70 -0.97 113.70 109.70 1dwe s SER 45 Ca 0.26 -0.43 -0.20 0.00 0.48 0.00 0.00 55.95 56.05 1dwe s SER 45 Cb 0.01 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1dwe s SER 45 CO -0.02 -0.17 0.62 -0.22 0.98 0.00 0.00 173.24 174.43 1dwe s LEU 46 N -1.23 4.31 0.00 2.42 2.96 0.18 -1.61 118.68 125.71 1dwe s LEU 46 Ca -0.09 0.04 0.19 0.00 -0.22 0.00 0.00 54.13 54.05 1dwe s LEU 46 Cb -0.08 -2.75 -0.17 0.00 0.50 0.00 0.00 46.19 43.69 1dwe s LEU 46 CO -0.00 -0.61 0.85 2.30 -1.32 0.00 0.00 176.35 177.56 1dwe n ILE 47 N 5.61 0.00 -3.62 6.68 -5.35 -1.11 -2.19 119.36 119.38 1dwe n ILE 47 Ca -0.02 -0.09 -0.04 0.00 -0.27 0.00 0.00 62.75 62.33 1dwe n ILE 47 Cb 0.48 1.04 -0.01 0.00 -1.74 0.00 0.00 39.64 39.41 1dwe n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1dwe s SER 48 N -2.71 -0.20 0.00 7.28 1.04 -1.20 -4.72 113.70 113.19 1dwe s SER 48 Ca 0.09 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1dwe s SER 48 Cb 0.15 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1dwe s SER 48 CO 0.74 -0.55 0.72 -0.90 0.98 0.00 0.00 173.24 174.22 1dwe n ASP 49 N -0.33 0.00 0.00 7.02 5.75 -1.26 -2.79 116.55 124.93 1dwe n ASP 49 Ca -0.06 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1dwe n ASP 49 Cb 0.61 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1dwe n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1dwe n ARG 50 N -1.22 0.00 -5.02 0.11 0.63 -1.26 -1.46 116.66 108.44 1dwe n ARG 50 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 1dwe n ARG 50 Cb 0.09 -0.28 -0.15 0.00 0.45 0.00 0.00 32.46 32.58 1dwe n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1dwe s TRP 51 N 0.00 2.43 -0.03 -0.14 0.52 -1.12 0.31 118.94 120.91 1dwe s TRP 51 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.81 1dwe s TRP 51 Cb 0.00 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 1dwe s TRP 51 CO 0.00 0.09 -0.15 0.08 0.02 0.00 0.00 176.95 176.99 1dwe s VAL 52 N -0.74 1.24 -0.18 4.03 1.01 0.19 -2.77 120.40 123.18 1dwe s VAL 52 Ca 0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1dwe s VAL 52 Cb -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1dwe s VAL 52 CO 0.01 0.36 -0.10 -0.22 0.00 0.00 0.00 175.10 175.15 1dwe s LEU 53 N -0.10 2.74 0.00 3.92 2.96 -0.64 -0.06 118.68 127.51 1dwe s LEU 53 Ca 0.00 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1dwe s LEU 53 Cb -0.09 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1dwe s LEU 53 CO 0.01 0.06 0.07 1.07 -1.32 0.00 0.00 176.35 176.23 1dwe n THR 54 N 4.26 0.00 -3.52 3.68 5.66 0.27 -1.72 114.28 122.92 1dwe n THR 54 Ca -0.18 -0.68 -0.38 0.00 -3.05 0.00 0.00 64.05 59.76 1dwe n THR 54 Cb 0.51 0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 1dwe n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dwe s ALA 55 N -2.35 3.71 0.14 1.79 0.00 -1.26 -0.82 121.76 122.97 1dwe s ALA 55 Ca 0.09 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 1dwe s ALA 55 Cb 0.00 -2.37 -0.00 0.00 0.00 0.00 0.00 23.12 20.75 1dwe s ALA 55 CO 0.07 0.49 1.75 0.00 0.00 0.00 0.00 175.76 178.06 1dwe h ALA 56 N 4.72 0.49 0.00 0.00 0.00 -1.66 -2.32 119.26 120.50 1dwe h ALA 56 Ca -0.52 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1dwe h ALA 56 Cb 1.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dwe h ALA 56 CO 0.61 0.01 0.14 -2.39 0.00 0.00 0.00 179.25 177.62 1dwe n HIS 57 N -4.76 0.00 0.10 0.00 1.44 -1.26 -0.54 115.22 110.20 1dwe n HIS 57 Ca -0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1dwe n HIS 57 Cb 0.07 -0.30 0.01 0.00 0.12 0.00 0.00 29.99 29.89 1dwe n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1dwe n LEU 59 N -3.54 0.00 -3.39 0.00 4.77 0.30 -4.89 117.00 110.24 1dwe n LEU 59 Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1dwe n LEU 59 Cb 0.79 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.86 1dwe n LEU 59 CO 0.45 0.07 -0.10 -0.22 -1.33 0.00 0.00 177.39 176.26 1dwe s LEU 60 N -4.19 -0.48 0.15 2.23 2.96 -0.51 -1.22 118.68 117.62 1dwe s LEU 60 Ca -0.05 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.82 1dwe s LEU 60 Cb 0.08 0.91 0.02 0.00 0.50 0.00 0.00 46.19 47.70 1dwe s LEU 60 CO 0.58 -0.31 0.39 -0.47 -1.32 0.00 0.00 176.35 175.22 1dwe s TYR 60 N 2.48 -0.02 0.00 5.38 5.04 0.12 -4.15 117.35 126.20 1dwe s TYR 60 Ca 0.11 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.41 1dwe s TYR 60 Cb -0.15 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.35 1dwe s TYR 60 CO -0.15 -0.75 0.00 -2.30 -1.34 0.00 0.00 175.55 171.02 1dwe n PRO 60 N -0.24 0.00 -0.23 4.97 -0.02 -1.26 -1.23 135.00 136.99 1dwe n PRO 60 Ca -0.13 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.41 1dwe n PRO 60 Cb 0.63 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.28 1dwe n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1dwe n TRP 60 N 0.00 0.58 -3.49 6.00 8.01 -1.26 -4.89 117.44 122.39 1dwe n TRP 60 Ca 0.00 -0.26 -0.23 0.00 -1.31 0.00 0.00 57.50 55.70 1dwe n TRP 60 Cb 0.00 -0.05 0.05 0.00 -2.01 0.00 0.00 31.31 29.29 1dwe n TRP 60 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1dwe n ASP 60 N 0.51 -6.00 -3.93 -0.99 3.85 -0.89 -4.99 116.55 104.11 1dwe n ASP 60 Ca 0.12 -0.82 -0.27 0.00 -0.71 0.00 0.00 54.79 53.12 1dwe n ASP 60 Cb 0.38 -4.06 -0.17 0.00 -1.35 0.00 0.00 41.12 35.92 1dwe n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1dwe s LYS 60 N -5.11 1.61 -0.50 0.11 2.20 -0.37 -5.02 119.74 112.66 1dwe s LYS 60 Ca 0.40 -0.30 0.07 0.00 -0.36 0.00 0.00 55.97 55.77 1dwe s LYS 60 Cb -0.11 -1.60 0.19 0.00 -1.51 0.00 0.00 37.83 34.79 1dwe s LYS 60 CO 0.81 -0.22 0.69 1.21 -0.36 0.00 0.00 175.35 177.48 1dwe s ASN 60 N 1.55 -1.23 0.68 1.43 2.47 -1.24 0.14 114.94 118.73 1dwe s ASN 60 Ca 0.02 -1.75 -0.11 0.00 0.42 0.00 0.00 52.86 51.45 1dwe s ASN 60 Cb -0.13 1.73 0.01 0.00 -1.45 0.00 0.00 41.25 41.41 1dwe s ASN 60 CO -0.07 -0.07 1.07 -0.36 -3.72 0.00 0.00 177.10 173.95 1dwe s PHE 60 N 0.90 3.36 0.25 0.43 0.08 -0.36 -5.01 117.98 117.64 1dwe s PHE 60 Ca 0.29 1.05 0.01 0.00 0.12 0.00 0.00 56.93 58.40 1dwe s PHE 60 Cb -0.00 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.41 1dwe s PHE 60 CO -0.06 -1.08 0.08 0.95 -0.10 0.00 0.00 175.22 175.01 1dwe s THR 60 N -3.30 0.60 0.53 0.64 -4.23 -1.26 -4.91 115.64 103.71 1dwe s THR 60 Ca 0.57 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.47 1dwe s THR 60 Cb -0.11 -2.56 0.59 0.00 1.34 0.00 0.00 72.50 71.76 1dwe s THR 60 CO 0.51 -0.08 1.73 -0.33 -0.54 0.00 0.00 174.62 175.91 1dwe h GLU 61 N 2.43 0.03 0.00 3.99 3.07 -1.94 -0.24 114.58 121.92 1dwe h GLU 61 Ca -0.38 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 1dwe h GLU 61 Cb 1.24 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1dwe h GLU 61 CO 0.61 0.02 -0.48 -0.91 -1.40 0.00 0.00 179.01 176.86 1dwe h ASN 62 N 0.04 0.00 1.40 1.42 2.35 -1.96 -3.32 115.58 115.50 1dwe h ASN 62 Ca 0.69 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.44 1dwe h ASN 62 Cb 2.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.02 1dwe h ASN 62 CO -0.06 0.04 0.00 0.44 -1.65 0.00 0.00 177.43 176.20 1dwe h ASP 63 N 0.00 0.00 -2.19 5.81 3.32 -1.43 -3.47 116.42 118.46 1dwe h ASP 63 Ca -0.01 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1dwe h ASP 63 Cb 1.04 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 1dwe h ASP 63 CO 0.00 0.00 -0.60 -0.76 -1.72 0.00 0.00 179.24 176.16 1dwe s LEU 64 N -6.10 2.63 0.02 1.55 1.43 -1.24 -2.23 118.68 114.75 1dwe s LEU 64 Ca 0.04 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 1dwe s LEU 64 Cb 0.07 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 1dwe s LEU 64 CO 0.59 -0.51 -0.04 -0.76 0.23 0.00 0.00 176.35 175.86 1dwe s LEU 65 N -3.64 2.24 -0.12 1.79 1.43 0.11 -4.51 118.68 115.98 1dwe s LEU 65 Ca 0.35 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1dwe s LEU 65 Cb 0.09 0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.34 1dwe s LEU 65 CO 0.17 -0.28 -0.15 -0.69 0.23 0.00 0.00 176.35 175.64 1dwe s VAL 66 N -1.43 2.90 -0.20 -1.59 1.01 -0.89 -0.38 120.40 119.82 1dwe s VAL 66 Ca -0.15 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1dwe s VAL 66 Cb -0.10 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1dwe s VAL 66 CO -0.01 0.53 -0.13 -0.13 0.00 0.00 0.00 175.10 175.37 1dwe s ARG 67 N 0.29 2.29 0.01 2.72 0.52 -0.37 -1.27 118.95 123.14 1dwe s ARG 67 Ca -0.11 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 54.20 1dwe s ARG 67 Cb -0.16 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1dwe s ARG 67 CO 0.06 -0.40 -0.03 0.42 0.02 0.00 0.00 175.30 175.37 1dwe s ILE 68 N 1.32 3.95 0.00 1.52 1.01 -0.47 -1.35 121.20 127.17 1dwe s ILE 68 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1dwe s ILE 68 Cb -0.16 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1dwe s ILE 68 CO -0.09 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1dwe n GLY 69 N 1.38 0.53 3.86 6.18 0.00 -1.26 -0.25 105.19 115.63 1dwe n GLY 69 Ca -0.15 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1dwe n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dwe s LYS 70 N -1.35 3.90 0.10 1.61 1.02 -1.26 -4.25 119.74 119.50 1dwe s LYS 70 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.53 1dwe s LYS 70 Cb 0.00 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1dwe s LYS 70 CO 0.00 0.11 0.00 1.58 -0.92 0.00 0.00 175.35 176.12 1dwe n HIS 71 N -0.67 -0.02 -2.42 3.18 -0.00 -1.26 -4.93 115.22 109.10 1dwe n HIS 71 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.40 1dwe n HIS 71 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.51 1dwe n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1dwe s SER 72 N -5.96 6.16 -0.02 0.26 0.15 -1.26 -0.62 113.70 112.41 1dwe s SER 72 Ca 0.00 2.06 -0.21 0.00 0.70 0.00 0.00 55.95 58.50 1dwe s SER 72 Cb 0.00 -2.57 -0.25 0.00 -1.71 0.00 0.00 66.02 61.48 1dwe s SER 72 CO 0.00 -0.91 1.04 -0.09 1.20 0.00 0.00 173.24 174.47 1dwe h ARG 73 N 1.59 0.34 0.00 5.44 2.43 -0.28 -3.41 114.38 120.49 1dwe h ARG 73 Ca -0.50 -0.40 -0.35 0.00 -0.81 0.00 0.00 59.98 57.92 1dwe h ARG 73 Cb 1.24 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.84 1dwe h ARG 73 CO 0.59 1.10 -2.31 0.25 -1.51 0.00 0.00 179.97 178.09 1dwe n THR 74 N -4.26 1.31 -1.05 0.20 -2.24 -1.26 -5.02 114.28 101.96 1dwe n THR 74 Ca -0.11 -0.80 -0.32 0.00 -2.27 0.00 0.00 64.05 60.55 1dwe n THR 74 Cb 0.67 -0.52 0.13 0.00 -2.10 0.00 0.00 70.33 68.51 1dwe n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dwe s ARG 75 N -2.46 1.61 -0.46 -0.78 0.52 -1.26 -4.97 118.95 111.15 1dwe s ARG 75 Ca -0.10 1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 56.58 1dwe s ARG 75 Cb 0.06 -1.79 0.09 0.00 0.52 0.00 0.00 34.95 33.83 1dwe s ARG 75 CO 0.77 -2.20 0.34 -0.47 0.02 0.00 0.00 175.30 173.76 1dwe s TYR 76 N -2.42 3.32 -1.34 -0.53 5.04 -1.26 -4.94 117.35 115.22 1dwe s TYR 76 Ca 0.69 -1.38 -0.10 0.00 -2.44 0.00 0.00 57.07 53.83 1dwe s TYR 76 Cb -0.25 -3.20 0.12 0.00 0.35 0.00 0.00 41.96 38.99 1dwe s TYR 76 CO 0.53 -0.88 2.03 0.39 -1.34 0.00 0.00 175.55 176.29 1dwe n GLU 77 N 5.04 3.49 -0.28 4.97 1.02 -1.26 -4.87 120.64 128.75 1dwe n GLU 77 Ca -0.11 -3.25 0.04 0.00 -0.02 0.00 0.00 57.16 53.83 1dwe n GLU 77 Cb 0.42 -2.99 0.10 0.00 -0.02 0.00 0.00 31.44 28.95 1dwe n GLU 77 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1dwe n ARG 77 N 4.27 -0.08 0.20 3.49 -4.01 -1.26 -0.58 116.66 118.70 1dwe n ARG 77 Ca 0.45 1.19 0.09 0.00 -1.04 0.00 0.00 57.85 58.55 1dwe n ARG 77 Cb 0.36 -1.78 0.16 0.00 -3.04 0.00 0.00 32.46 28.15 1dwe n ARG 77 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1dwe h ASN 78 N 0.00 0.00 0.00 2.89 -0.26 -2.03 -3.41 115.58 112.78 1dwe h ASN 78 Ca 0.36 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.07 1dwe h ASN 78 Cb 0.55 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.81 1dwe h ASN 78 CO -0.79 0.15 -1.10 2.30 -1.06 0.00 0.00 177.43 176.93 1dwe n ILE 79 N -3.14 0.10 -2.02 2.81 -5.35 -0.23 -5.07 119.36 106.46 1dwe n ILE 79 Ca 0.03 -0.05 -0.30 0.00 -0.27 0.00 0.00 62.75 62.17 1dwe n ILE 79 Cb 0.58 -0.74 0.03 0.00 -1.74 0.00 0.00 39.64 37.76 1dwe n ILE 79 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1dwe s GLU 80 N -2.04 3.21 -0.06 6.28 -1.05 0.26 -4.70 118.70 120.61 1dwe s GLU 80 Ca -0.02 0.48 -0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1dwe s GLU 80 Cb 0.01 -2.11 0.03 0.00 -0.44 0.00 0.00 34.13 31.61 1dwe s GLU 80 CO 0.05 -0.74 -0.02 0.15 0.95 0.00 0.00 175.26 175.65 1dwe s LYS 81 N -5.18 0.69 -0.27 -4.83 3.01 0.65 -4.86 119.74 108.95 1dwe s LYS 81 Ca 0.55 0.01 -0.11 0.00 -1.01 0.00 0.00 55.97 55.41 1dwe s LYS 81 Cb -0.11 -0.88 -0.05 0.00 -1.01 0.00 0.00 37.83 35.78 1dwe s LYS 81 CO 0.51 -0.19 0.20 0.42 0.51 0.00 0.00 175.35 176.80 1dwe s ILE 82 N 1.42 5.31 0.17 2.17 1.01 -1.26 -1.37 121.20 128.65 1dwe s ILE 82 Ca -0.03 0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.93 1dwe s ILE 82 Cb -0.13 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1dwe s ILE 82 CO -0.03 0.27 -0.21 -0.44 0.00 0.00 0.00 174.94 174.54 1dwe s SER 83 N 1.53 2.93 0.03 3.58 0.01 -0.39 -5.00 113.70 116.39 1dwe s SER 83 Ca 0.08 -0.84 0.01 0.00 1.31 0.00 0.00 55.95 56.51 1dwe s SER 83 Cb -0.15 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1dwe s SER 83 CO 0.09 0.03 0.09 -0.04 0.41 0.00 0.00 173.24 173.83 1dwe s MET 84 N -2.64 3.04 0.44 12.44 1.00 -1.26 -2.09 119.30 130.23 1dwe s MET 84 Ca 0.16 -0.56 -0.19 0.00 0.00 0.00 0.00 55.69 55.10 1dwe s MET 84 Cb -0.07 -2.83 -0.10 0.00 0.00 0.00 0.00 34.83 31.83 1dwe s MET 84 CO 0.07 0.61 0.94 -0.51 0.00 0.00 0.00 175.02 176.13 1dwe s LEU 85 N -2.06 3.87 -0.18 -0.03 1.43 -1.26 -1.99 118.68 118.46 1dwe s LEU 85 Ca 0.27 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 54.96 1dwe s LEU 85 Cb -0.12 -4.49 -0.10 0.00 0.03 0.00 0.00 46.19 41.51 1dwe s LEU 85 CO 0.18 -0.40 -0.18 1.21 0.23 0.00 0.00 176.35 177.39 1dwe n GLU 86 N -0.85 0.42 -3.61 1.70 2.13 0.52 -4.72 120.64 116.22 1dwe n GLU 86 Ca 0.07 0.13 -0.16 0.00 0.66 0.00 0.00 57.16 57.85 1dwe n GLU 86 Cb 0.54 -1.29 -0.07 0.00 0.27 0.00 0.00 31.44 30.89 1dwe n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1dwe s LYS 87 N -2.35 0.91 -0.01 5.31 2.47 -1.24 -5.01 119.74 119.83 1dwe s LYS 87 Ca -0.24 0.10 0.07 0.00 -1.56 0.00 0.00 55.97 54.34 1dwe s LYS 87 Cb 0.07 0.42 -0.02 0.00 -1.46 0.00 0.00 37.83 36.85 1dwe s LYS 87 CO 0.38 -0.27 -0.23 0.42 0.16 0.00 0.00 175.35 175.81 1dwe s ILE 88 N -1.22 1.80 -0.10 5.43 1.01 -1.26 -1.15 121.20 125.71 1dwe s ILE 88 Ca -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.56 1dwe s ILE 88 Cb -0.02 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1dwe s ILE 88 CO 0.08 0.50 -0.12 -0.31 0.00 0.00 0.00 174.94 175.08 1dwe s TYR 89 N -0.55 1.72 -0.08 3.97 1.51 0.05 -5.01 117.35 118.96 1dwe s TYR 89 Ca 0.09 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1dwe s TYR 89 Cb -0.09 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1dwe s TYR 89 CO -0.01 -0.45 -0.10 0.42 -1.11 0.00 0.00 175.55 174.30 1dwe s ILE 90 N 1.14 3.43 -0.19 2.71 1.01 -1.26 -1.36 121.20 126.68 1dwe s ILE 90 Ca -0.05 -0.57 -0.37 0.00 0.00 0.00 0.00 60.65 59.66 1dwe s ILE 90 Cb -0.14 -2.41 -0.14 0.00 0.01 0.00 0.00 42.46 39.78 1dwe s ILE 90 CO -0.03 0.57 1.81 1.57 0.00 0.00 0.00 174.94 178.86 1dwe n HIS 91 N 2.63 2.18 -0.31 3.97 -0.00 -1.23 -4.82 115.22 117.64 1dwe n HIS 91 Ca -0.18 0.29 0.28 0.00 -0.00 0.00 0.00 57.72 58.12 1dwe n HIS 91 Cb 0.53 -2.55 0.62 0.00 -0.00 0.00 0.00 29.99 28.58 1dwe n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1dwe h PRO 92 N 8.12 0.20 -0.63 1.57 0.13 -1.96 -0.46 132.00 138.98 1dwe h PRO 92 Ca -0.47 -0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 1dwe h PRO 92 Cb 1.30 -0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 1dwe h PRO 92 CO 0.96 0.13 0.24 0.54 -0.23 0.00 0.00 178.00 179.64 1dwe n ARG 93 N -4.44 2.22 -2.12 0.86 3.00 -1.26 -4.96 116.66 109.97 1dwe n ARG 93 Ca 0.25 -3.10 -0.42 0.00 -0.01 0.00 0.00 57.85 54.57 1dwe n ARG 93 Cb 1.04 -1.99 -0.03 0.00 0.00 0.00 0.00 32.46 31.48 1dwe n ARG 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1dwe s TYR 94 N -3.22 2.22 -0.71 -1.55 5.04 -0.18 -4.78 117.35 114.17 1dwe s TYR 94 Ca 0.50 0.42 -0.15 0.00 -2.44 0.00 0.00 57.07 55.40 1dwe s TYR 94 Cb 0.43 -3.80 0.18 0.00 0.35 0.00 0.00 41.96 39.12 1dwe s TYR 94 CO 0.06 -3.27 0.67 1.21 -1.34 0.00 0.00 175.55 172.88 1dwe s ASN 95 N 2.96 6.51 0.00 4.32 3.84 0.06 -4.86 114.94 127.77 1dwe s ASN 95 Ca 0.68 -2.26 0.27 0.00 0.21 0.00 0.00 52.86 51.76 1dwe s ASN 95 Cb -0.30 -2.22 0.92 0.00 -0.55 0.00 0.00 41.25 39.09 1dwe s ASN 95 CO 0.25 -0.72 1.66 -2.67 -2.79 0.00 0.00 177.10 172.83 1dwe n TRP 96 N 4.66 0.00 0.08 0.43 4.27 -1.26 -0.06 117.44 125.56 1dwe n TRP 96 Ca 0.02 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.66 1dwe n TRP 96 Cb 0.44 -0.06 -0.03 0.00 -1.36 0.00 0.00 31.31 30.30 1dwe n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dwe h ARG 97 N 1.84 0.00 0.00 -2.67 3.08 -1.99 -3.45 114.38 111.19 1dwe h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dwe h ARG 97 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1dwe h ARG 97 CO 0.00 0.30 0.00 -0.85 -1.07 0.00 0.00 179.97 178.35 1dwe n GLU 97 N -2.96 0.00 0.00 0.04 0.28 -1.26 -4.99 120.64 111.75 1dwe n GLU 97 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1dwe n GLU 97 Cb 0.76 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 33.13 1dwe n GLU 97 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1dwe n ASN 98 N -1.34 0.21 -0.98 -1.84 6.94 -1.25 -4.82 115.26 112.18 1dwe n ASN 98 Ca 0.00 -0.99 -0.10 0.00 -0.02 0.00 0.00 54.58 53.48 1dwe n ASN 98 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.41 1dwe n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dwe n LEU 99 N -0.00 -1.20 -4.77 -4.53 4.77 0.92 -4.95 117.00 107.24 1dwe n LEU 99 Ca 0.00 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 1dwe n LEU 99 Cb 0.19 -1.61 -0.01 0.00 -2.33 0.00 0.00 43.42 39.66 1dwe n LEU 99 CO 0.00 -0.23 1.09 -0.62 -1.33 0.00 0.00 177.39 176.30 1dwe s ASP 100 N -2.67 6.54 -1.02 -1.43 2.15 -1.16 -2.61 116.67 116.47 1dwe s ASP 100 Ca 0.00 2.85 -0.06 0.00 0.43 0.00 0.00 52.55 55.77 1dwe s ASP 100 Cb 0.00 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1dwe s ASP 100 CO 0.00 -0.74 0.89 0.54 -0.17 0.00 0.00 175.17 175.69 1dwe n ARG 101 N 1.15 -5.96 -1.47 4.34 1.74 -1.26 -0.76 116.66 114.43 1dwe n ARG 101 Ca 0.03 0.64 -0.41 0.00 -0.77 0.00 0.00 57.85 57.34 1dwe n ARG 101 Cb 0.40 -5.11 -0.05 0.00 -1.02 0.00 0.00 32.46 26.68 1dwe n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1dwe n ASP 102 N -2.12 2.95 -4.14 0.55 2.03 -1.07 -4.55 116.55 110.19 1dwe n ASP 102 Ca -0.04 -2.72 -0.13 0.00 0.52 0.00 0.00 54.79 52.42 1dwe n ASP 102 Cb 0.56 -1.33 -0.11 0.00 -0.72 0.00 0.00 41.12 39.52 1dwe n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1dwe s ILE 103 N 5.70 0.75 -0.23 5.18 2.07 -1.26 -3.59 121.20 129.82 1dwe s ILE 103 Ca 0.58 -1.59 -0.26 0.00 -1.41 0.00 0.00 60.65 57.96 1dwe s ILE 103 Cb 0.11 -1.27 0.09 0.00 0.13 0.00 0.00 42.46 41.52 1dwe s ILE 103 CO 0.09 -0.62 0.83 0.00 -1.91 0.00 0.00 174.94 173.32 1dwe s ALA 104 N -2.56 -1.85 0.06 1.50 0.00 0.00 -3.49 121.76 115.43 1dwe s ALA 104 Ca 0.03 1.83 0.06 0.00 0.00 0.00 0.00 51.96 53.88 1dwe s ALA 104 Cb -0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1dwe s ALA 104 CO -0.02 -0.31 -0.10 -0.51 0.00 0.00 0.00 175.76 174.82 1dwe s LEU 105 N -0.05 3.03 -0.05 0.00 1.43 -0.46 -0.56 118.68 122.01 1dwe s LEU 105 Ca -0.01 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1dwe s LEU 105 Cb -0.04 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1dwe s LEU 105 CO 0.00 0.23 -0.10 -0.04 0.23 0.00 0.00 176.35 176.67 1dwe s MET 106 N -1.82 1.40 -0.25 1.70 -1.94 0.92 -0.77 119.30 118.55 1dwe s MET 106 Ca 0.19 -0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 53.69 1dwe s MET 106 Cb -0.11 -1.21 -0.04 0.00 2.01 0.00 0.00 34.83 35.48 1dwe s MET 106 CO 0.10 0.03 0.30 0.21 -0.01 0.00 0.00 175.02 175.66 1dwe s LYS 107 N 0.60 4.06 0.61 2.03 2.20 -0.30 -0.64 119.74 128.31 1dwe s LYS 107 Ca -0.12 -0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 55.30 1dwe s LYS 107 Cb -0.14 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1dwe s LYS 107 CO 0.02 -0.12 1.06 -0.51 -0.36 0.00 0.00 175.35 175.44 1dwe s LEU 108 N 1.59 3.44 0.26 5.43 1.43 0.15 -0.36 118.68 130.62 1dwe s LEU 108 Ca 0.13 1.79 0.08 0.00 -1.03 0.00 0.00 54.13 55.10 1dwe s LEU 108 Cb -0.15 -4.53 0.30 0.00 0.03 0.00 0.00 46.19 41.85 1dwe s LEU 108 CO 0.08 -1.22 1.59 0.11 0.23 0.00 0.00 176.35 177.14 1dwe h LYS 109 N 0.26 0.11 -2.64 1.70 1.57 -1.69 -3.42 116.57 112.46 1dwe h LYS 109 Ca -0.46 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.13 1dwe h LYS 109 Cb 1.22 0.01 -0.25 0.00 0.08 0.00 0.00 32.23 33.30 1dwe h LYS 109 CO 0.57 0.69 -0.22 0.15 -0.57 0.00 0.00 179.45 180.07 1dwe s LYS 110 N -3.67 0.48 0.35 3.15 1.02 -1.26 -5.02 119.74 114.79 1dwe s LYS 110 Ca -0.02 0.68 -0.27 0.00 0.02 0.00 0.00 55.97 56.38 1dwe s LYS 110 Cb 0.12 0.16 -0.12 0.00 -0.52 0.00 0.00 37.83 37.48 1dwe s LYS 110 CO 0.78 -0.09 1.26 -0.35 -0.92 0.00 0.00 175.35 176.03 1dwe n PRO 111 N 3.32 2.03 -2.64 -1.68 -0.04 -1.26 -4.95 135.00 129.78 1dwe n PRO 111 Ca -0.17 0.71 -0.27 0.00 -0.04 0.00 0.00 63.50 63.74 1dwe n PRO 111 Cb 0.56 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 1dwe n PRO 111 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1dwe s VAL 112 N -1.12 4.80 -0.25 0.52 -7.23 -0.54 -5.01 120.40 111.56 1dwe s VAL 112 Ca 0.57 0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.77 1dwe s VAL 112 Cb -0.57 -3.83 -0.05 0.00 0.56 0.00 0.00 36.38 32.50 1dwe s VAL 112 CO 0.61 -0.80 0.25 0.00 -0.31 0.00 0.00 175.10 174.84 1dwe s ALA 113 N -2.75 3.57 0.84 1.32 0.00 -1.26 -4.84 121.76 118.64 1dwe s ALA 113 Ca 0.48 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 1dwe s ALA 113 Cb -0.10 -2.50 0.10 0.00 0.00 0.00 0.00 23.12 20.62 1dwe s ALA 113 CO 0.45 -0.43 1.18 -0.06 0.00 0.00 0.00 175.76 176.90 1dwe s PHE 114 N 1.54 1.79 0.00 0.00 0.08 -1.26 -4.90 117.98 115.23 1dwe s PHE 114 Ca 0.10 1.71 0.00 0.00 0.12 0.00 0.00 56.93 58.86 1dwe s PHE 114 Cb -0.15 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 1dwe s PHE 114 CO 0.08 -2.76 0.00 -1.13 -0.10 0.00 0.00 175.22 171.31 1dwe n SER 115 N -3.61 0.00 0.01 1.36 3.41 0.11 -4.92 113.62 109.98 1dwe n SER 115 Ca 0.13 -0.05 0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1dwe n SER 115 Cb 0.51 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.99 1dwe n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dwe n ASP 116 N -0.06 0.20 -0.08 4.04 8.00 -1.26 -3.38 116.55 124.00 1dwe n ASP 116 Ca 0.00 0.38 0.02 0.00 0.71 0.00 0.00 54.79 55.90 1dwe n ASP 116 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1dwe n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1dwe n TYR 117 N -1.61 0.00 -3.67 1.24 4.01 -1.26 -4.80 117.16 111.07 1dwe n TYR 117 Ca 0.06 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.54 1dwe n TYR 117 Cb 0.35 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.21 1dwe n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1dwe s ILE 118 N -0.73 0.17 -0.10 -0.72 1.01 -1.22 -4.05 121.20 115.57 1dwe s ILE 118 Ca 0.03 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.23 1dwe s ILE 118 Cb 0.03 -0.74 0.04 0.00 0.01 0.00 0.00 42.46 41.80 1dwe s ILE 118 CO 0.08 -0.22 0.40 -2.28 0.00 0.00 0.00 174.94 172.93 1dwe s HIS 119 N 2.02 -0.38 0.47 3.97 2.46 -0.70 0.09 115.29 123.23 1dwe s HIS 119 Ca 0.01 0.82 -0.20 0.00 0.47 0.00 0.00 55.06 56.16 1dwe s HIS 119 Cb -0.16 0.16 -0.09 0.00 -0.13 0.00 0.00 32.58 32.35 1dwe s HIS 119 CO -0.08 -0.32 0.99 -1.25 -2.47 0.00 0.00 174.74 171.61 1dwe s PRO 120 N -0.47 4.01 0.32 2.88 0.04 -1.26 -2.64 135.00 137.89 1dwe s PRO 120 Ca -0.06 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1dwe s PRO 120 Cb -0.03 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1dwe s PRO 120 CO 0.03 -0.22 0.49 0.54 0.04 0.00 0.00 177.00 177.87 1dwe s VAL 121 N -2.20 4.87 0.26 -0.36 0.11 -0.93 -4.93 120.40 117.22 1dwe s VAL 121 Ca 0.63 -0.72 -0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1dwe s VAL 121 Cb -0.12 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1dwe s VAL 121 CO 0.19 -0.40 0.46 0.00 -3.33 0.00 0.00 175.10 172.02 1dwe s LEU 123 N -3.69 4.33 0.57 0.00 1.43 -1.26 -1.14 118.68 118.92 1dwe s LEU 123 Ca 0.39 0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 53.77 1dwe s LEU 123 Cb -0.10 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1dwe s LEU 123 CO 0.31 0.40 1.05 -2.16 0.23 0.00 0.00 176.35 176.18 1dwe s PRO 124 N -1.06 3.43 0.32 1.29 0.04 -1.26 -4.94 135.00 132.81 1dwe s PRO 124 Ca 0.15 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.51 1dwe s PRO 124 Cb -0.12 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1dwe s PRO 124 CO 0.05 -0.73 0.18 0.16 0.04 0.00 0.00 177.00 176.70 1dwe s ASP 125 N -2.63 4.96 0.33 6.66 -4.77 -1.26 -4.95 116.67 115.01 1dwe s ASP 125 Ca 0.64 -0.60 0.12 0.00 -3.30 0.00 0.00 52.55 49.41 1dwe s ASP 125 Cb -0.16 -0.91 1.01 0.00 -1.09 0.00 0.00 42.92 41.77 1dwe s ASP 125 CO 0.33 -0.24 1.64 -0.09 0.70 0.00 0.00 175.17 177.52 1dwe h ARG 126 N 1.49 0.22 -0.01 2.11 2.43 -1.98 -2.32 114.38 116.33 1dwe h ARG 126 Ca -0.45 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1dwe h ARG 126 Cb 1.25 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1dwe h ARG 126 CO 0.61 0.15 -0.02 0.93 -1.51 0.00 0.00 179.97 180.12 1dwe h GLU 127 N 0.23 0.03 0.00 0.20 5.08 -2.04 -1.30 114.58 116.78 1dwe h GLU 127 Ca 0.70 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1dwe h GLU 127 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1dwe h GLU 127 CO -0.66 0.66 0.00 2.41 -1.00 0.00 0.00 179.01 180.42 1dwe n THR 128 N -4.75 0.00 0.00 1.13 -1.04 -0.87 -1.09 114.28 107.65 1dwe n THR 128 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1dwe n THR 128 Cb 0.33 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 1dwe n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dwe n ALA 129 N 0.40 0.00 0.01 2.41 0.00 -0.49 0.01 120.51 122.85 1dwe n ALA 129 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1dwe n ALA 129 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1dwe n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dwe h SER 129 N 0.00 0.01 0.34 0.00 4.64 -1.37 -3.40 113.55 113.77 1dwe h SER 129 Ca 0.00 -0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 60.97 1dwe h SER 129 Cb 0.00 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1dwe h SER 129 CO 0.00 1.02 -1.57 -0.07 -0.87 0.00 0.00 176.83 175.34 1dwe h LEU 129 N 0.00 0.58 -6.92 5.97 3.38 -0.65 -3.41 115.31 114.27 1dwe h LEU 129 Ca -0.18 -0.76 -0.64 0.00 0.09 0.00 0.00 57.88 56.39 1dwe h LEU 129 Cb 1.92 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 1dwe h LEU 129 CO 0.10 1.62 2.43 0.18 0.09 0.00 0.00 178.44 182.86 1dwe n LEU 130 N -3.57 5.28 -3.98 1.67 4.77 -1.26 -4.88 117.00 115.03 1dwe n LEU 130 Ca -0.19 -3.72 -0.21 0.00 -0.03 0.00 0.00 56.01 51.86 1dwe n LEU 130 Cb 1.07 -1.60 -0.16 0.00 -2.33 0.00 0.00 43.42 40.40 1dwe n LEU 130 CO 0.54 0.16 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.22 1dwe s GLN 131 N 4.27 1.09 0.04 3.23 -0.21 -1.26 -4.97 119.66 121.84 1dwe s GLN 131 Ca 0.54 -0.28 -0.38 0.00 0.02 0.00 0.00 55.36 55.26 1dwe s GLN 131 Cb 0.09 -0.99 -0.18 0.00 1.00 0.00 0.00 33.01 32.93 1dwe s GLN 131 CO 0.03 0.05 1.24 0.00 -2.12 0.00 0.00 175.29 174.49 1dwe n ALA 132 N 3.59 -2.06 0.00 6.09 0.00 -1.26 -1.26 120.51 125.61 1dwe n ALA 132 Ca -0.21 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1dwe n ALA 132 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1dwe n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dwe n GLY 133 N 2.16 2.34 3.79 0.00 0.00 -0.61 -4.94 105.19 107.93 1dwe n GLY 133 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1dwe n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dwe s TYR 134 N -2.40 3.40 -0.07 1.61 2.02 -0.39 -4.69 117.35 116.83 1dwe s TYR 134 Ca 0.00 1.68 -0.07 0.00 -0.37 0.00 0.00 57.07 58.31 1dwe s TYR 134 Cb 0.00 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 1dwe s TYR 134 CO 0.00 -0.24 0.20 0.15 -1.57 0.00 0.00 175.55 174.09 1dwe s LYS 135 N -2.55 3.51 0.42 -0.62 1.02 -1.26 -1.04 119.74 119.22 1dwe s LYS 135 Ca 0.57 -0.10 0.06 0.00 0.02 0.00 0.00 55.97 56.52 1dwe s LYS 135 Cb -0.18 -3.16 -0.07 0.00 -0.52 0.00 0.00 37.83 33.91 1dwe s LYS 135 CO 0.22 0.73 0.01 0.20 -0.92 0.00 0.00 175.35 175.60 1dwe s GLY 136 N -1.29 2.56 0.04 -3.33 0.00 0.14 -4.84 107.32 100.60 1dwe s GLY 136 Ca 0.20 -2.00 0.09 0.00 0.00 0.00 0.00 44.72 43.01 1dwe s GLY 136 CO 0.09 -2.09 -0.25 -1.60 0.00 0.00 0.00 173.10 169.25 1dwe s ARG 137 N -3.75 1.88 0.05 2.90 3.52 -0.22 -0.70 118.95 122.64 1dwe s ARG 137 Ca 0.31 -1.07 0.08 0.00 -0.13 0.00 0.00 55.73 54.92 1dwe s ARG 137 Cb 0.09 -2.03 -0.03 0.00 -1.56 0.00 0.00 34.95 31.42 1dwe s ARG 137 CO 0.16 0.52 -0.22 0.08 -0.81 0.00 0.00 175.30 175.03 1dwe s VAL 138 N -0.81 1.76 0.03 7.11 1.01 0.61 -1.89 120.40 128.22 1dwe s VAL 138 Ca 0.12 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1dwe s VAL 138 Cb -0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1dwe s VAL 138 CO 0.02 0.21 -0.04 0.42 0.00 0.00 0.00 175.10 175.71 1dwe s THR 139 N -0.83 0.23 0.00 3.92 -4.23 -1.25 -0.92 115.64 112.55 1dwe s THR 139 Ca 0.08 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1dwe s THR 139 Cb -0.09 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1dwe s THR 139 CO 0.02 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1dwe n GLY 140 N 1.53 1.43 1.46 3.99 0.00 -1.01 -4.50 105.19 108.09 1dwe n GLY 140 Ca -0.23 -0.94 0.09 0.00 0.00 0.00 0.00 46.02 44.93 1dwe n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dwe n TRP 141 N -0.56 1.41 -1.05 1.61 8.01 -1.26 -1.87 117.44 123.73 1dwe n TRP 141 Ca 0.00 -0.65 -0.30 0.00 -1.31 0.00 0.00 57.50 55.24 1dwe n TRP 141 Cb 0.00 -0.27 0.23 0.00 -2.01 0.00 0.00 31.31 29.26 1dwe n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1dwe s GLY 142 N -1.04 1.57 0.25 6.99 0.00 -1.26 -4.51 107.32 109.33 1dwe s GLY 142 Ca 0.48 -0.76 -0.30 0.00 0.00 0.00 0.00 44.72 44.14 1dwe s GLY 142 CO 0.21 0.05 1.16 0.70 0.00 0.00 0.00 173.10 175.22 1dwe n ASN 143 N -4.66 1.76 0.03 1.64 3.02 -0.30 -2.33 115.26 114.41 1dwe n ASN 143 Ca 0.10 1.16 0.12 0.00 -0.03 0.00 0.00 54.58 55.94 1dwe n ASN 143 Cb 0.59 -1.32 0.26 0.00 -0.61 0.00 0.00 39.78 38.70 1dwe n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1dwe n LEU 144 N 1.58 0.55 -3.74 3.41 4.77 -0.36 -0.79 117.00 122.42 1dwe n LEU 144 Ca 0.11 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1dwe n LEU 144 Cb 0.30 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1dwe n LEU 144 CO 0.61 0.02 0.05 -0.75 -1.33 0.00 0.00 177.39 175.99 1dwe s LYS 145 N -3.08 0.57 0.21 3.23 2.20 -1.26 -4.47 119.74 117.13 1dwe s LYS 145 Ca 0.09 0.16 -0.10 0.00 -0.36 0.00 0.00 55.97 55.77 1dwe s LYS 145 Cb 0.16 0.26 0.28 0.00 -1.51 0.00 0.00 37.83 37.02 1dwe s LYS 145 CO 0.69 -0.13 1.72 1.49 -0.36 0.00 0.00 175.35 178.76 1dwe h GLU 146 N 4.65 0.32 -4.11 4.03 4.81 -1.90 -3.44 114.58 118.93 1dwe h GLU 146 Ca -0.28 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 1dwe h GLU 146 Cb 1.18 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 1dwe h GLU 146 CO 0.34 0.21 -0.44 -0.08 -0.73 0.00 0.00 179.01 178.31 1dwe s THR 147 N -6.10 0.07 -0.08 0.32 -1.32 -1.26 -4.92 115.64 102.35 1dwe s THR 147 Ca -0.13 -1.61 -0.30 0.00 -1.21 0.00 0.00 61.69 58.44 1dwe s THR 147 Cb 0.17 -1.98 0.11 0.00 -1.51 0.00 0.00 72.50 69.29 1dwe s THR 147 CO 0.74 -0.31 0.93 -1.66 -2.21 0.00 0.00 174.62 172.11 1dwe s TRP 148 N -4.01 -0.37 -0.06 9.09 -2.14 -1.26 -5.11 118.94 115.07 1dwe s TRP 148 Ca 0.22 0.47 -0.29 0.00 2.66 0.00 0.00 56.10 59.15 1dwe s TRP 148 Cb 0.05 0.49 -0.08 0.00 -3.10 0.00 0.00 33.47 30.83 1dwe s TRP 148 CO 0.02 -0.45 2.07 2.41 -2.66 0.00 0.00 176.95 178.35 1dwe n THR 149 N 0.29 0.61 -1.69 0.66 -1.04 -1.26 -4.91 114.28 106.94 1dwe n THR 149 Ca -0.10 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 1dwe n THR 149 Cb 0.60 -2.40 -0.00 0.00 -1.82 0.00 0.00 70.33 66.70 1dwe n THR 149 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dwe n ALA 149 N 9.09 1.18 -0.08 2.41 0.00 -1.26 -2.47 120.51 129.38 1dwe n ALA 149 Ca 0.24 0.34 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1dwe n ALA 149 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1dwe n ALA 149 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dwe n ASN 149 N 0.70 0.00 -4.21 0.00 3.02 -1.26 -4.86 115.26 108.64 1dwe n ASN 149 Ca 0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 1dwe n ASN 149 Cb 0.36 -0.99 -0.04 0.00 -0.61 0.00 0.00 39.78 38.51 1dwe n ASN 149 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1dwe n VAL 149 N -2.00 3.72 0.00 2.41 0.31 -1.03 -4.95 118.33 116.78 1dwe n VAL 149 Ca 0.00 -5.24 0.00 0.00 -0.01 0.00 0.00 64.34 59.09 1dwe n VAL 149 Cb 0.00 -2.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.46 1dwe n VAL 149 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dwe n GLY 149 N 2.45 -0.10 2.87 2.92 0.00 -1.26 -4.79 105.19 107.27 1dwe n GLY 149 Ca 0.23 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1dwe n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dwe s LYS 149 N 0.00 0.29 0.51 1.61 -0.14 -1.26 -5.03 119.74 115.73 1dwe s LYS 149 Ca 0.00 0.44 0.24 0.00 -1.36 0.00 0.00 55.97 55.29 1dwe s LYS 149 Cb 0.00 -0.69 1.29 0.00 -1.68 0.00 0.00 37.83 36.75 1dwe s LYS 149 CO 0.00 -0.63 1.69 0.78 -0.76 0.00 0.00 175.35 176.43 1dwe h GLY 150 N 8.23 0.00 -4.88 -3.33 0.00 -1.96 -3.41 103.07 97.71 1dwe h GLY 150 Ca -0.19 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.47 1dwe h GLY 150 CO 0.27 0.00 -0.69 1.20 0.00 0.00 0.00 176.54 177.32 1dwe s GLN 151 N -3.78 2.63 0.86 4.80 1.11 -1.26 -1.22 119.66 122.81 1dwe s GLN 151 Ca -0.03 -0.66 -0.12 0.00 0.01 0.00 0.00 55.36 54.57 1dwe s GLN 151 Cb 0.07 -2.55 0.11 0.00 -1.01 0.00 0.00 33.01 29.63 1dwe s GLN 151 CO 0.22 0.62 1.10 -1.25 0.01 0.00 0.00 175.29 175.98 1dwe s PRO 152 N -1.28 1.54 -0.08 2.91 0.04 -1.26 -5.00 135.00 131.87 1dwe s PRO 152 Ca 0.16 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 61.78 1dwe s PRO 152 Cb -0.11 -1.85 -0.29 0.00 0.04 0.00 0.00 34.50 32.30 1dwe s PRO 152 CO 0.06 -2.02 0.63 0.77 0.04 0.00 0.00 177.00 176.48 1dwe h SER 153 N -1.39 0.44 -2.21 6.66 0.02 -1.96 -3.43 113.55 111.68 1dwe h SER 153 Ca -0.49 -0.88 -0.60 0.00 -0.84 0.00 0.00 61.79 58.99 1dwe h SER 153 Cb 1.28 -0.14 -0.14 0.00 0.14 0.00 0.00 62.40 63.54 1dwe h SER 153 CO 0.57 1.62 -0.72 0.68 -1.14 0.00 0.00 176.83 177.83 1dwe s VAL 154 N -2.49 2.30 0.14 2.27 -7.23 -1.26 0.45 120.40 114.58 1dwe s VAL 154 Ca -0.18 -2.31 -0.35 0.00 -1.81 0.00 0.00 61.98 57.33 1dwe s VAL 154 Cb 0.04 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 34.41 1dwe s VAL 154 CO 0.79 -0.33 1.39 -0.11 -0.31 0.00 0.00 175.10 176.53 1dwe n LEU 155 N -0.67 2.21 -4.90 1.32 7.94 0.21 -4.81 117.00 118.30 1dwe n LEU 155 Ca -0.05 1.11 -0.32 0.00 -1.11 0.00 0.00 56.01 55.64 1dwe n LEU 155 Cb 0.61 -1.29 -0.05 0.00 0.53 0.00 0.00 43.42 43.23 1dwe n LEU 155 CO 0.40 -0.80 -0.16 -1.10 -1.11 0.00 0.00 177.39 174.62 1dwe s GLN 156 N 0.41 3.42 0.01 1.96 -1.52 -0.78 0.48 119.66 123.64 1dwe s GLN 156 Ca 0.80 -0.37 0.04 0.00 -1.95 0.00 0.00 55.36 53.87 1dwe s GLN 156 Cb -0.83 -3.06 -0.01 0.00 -0.22 0.00 0.00 33.01 28.89 1dwe s GLN 156 CO 0.45 0.65 -0.11 0.54 -0.25 0.00 0.00 175.29 176.57 1dwe s VAL 157 N -1.38 0.89 -0.06 1.09 0.11 0.14 -2.39 120.40 118.79 1dwe s VAL 157 Ca 0.30 -0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 58.58 1dwe s VAL 157 Cb -0.13 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1dwe s VAL 157 CO 0.22 0.10 0.20 0.54 -3.33 0.00 0.00 175.10 172.82 1dwe s VAL 158 N -0.55 0.01 -0.28 2.04 0.11 -0.10 -1.04 120.40 120.59 1dwe s VAL 158 Ca 0.02 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1dwe s VAL 158 Cb -0.06 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1dwe s VAL 158 CO 0.00 -0.06 0.04 0.20 -3.33 0.00 0.00 175.10 171.96 1dwe s ASN 159 N -0.13 4.90 0.20 3.54 0.01 -1.26 0.23 114.94 122.42 1dwe s ASN 159 Ca -0.02 -0.72 0.10 0.00 -0.71 0.00 0.00 52.86 51.51 1dwe s ASN 159 Cb -0.02 -1.82 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 1dwe s ASN 159 CO 0.01 -0.16 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.47 1dwe s LEU 160 N 1.46 2.47 0.21 0.60 1.43 0.13 -4.92 118.68 120.07 1dwe s LEU 160 Ca 0.02 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1dwe s LEU 160 Cb -0.17 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1dwe s LEU 160 CO 0.01 0.03 0.41 -2.16 0.23 0.00 0.00 176.35 174.86 1dwe s PRO 161 N -2.93 3.53 0.29 1.29 0.04 -1.26 0.28 135.00 136.25 1dwe s PRO 161 Ca 0.20 -0.30 -0.26 0.00 0.04 0.00 0.00 61.00 60.68 1dwe s PRO 161 Cb -0.06 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.57 1dwe s PRO 161 CO 0.09 0.37 0.91 0.42 0.04 0.00 0.00 177.00 178.83 1dwe s ILE 162 N -1.90 4.24 0.08 0.56 1.01 -0.21 -1.04 121.20 123.94 1dwe s ILE 162 Ca 0.39 1.80 0.03 0.00 0.00 0.00 0.00 60.65 62.87 1dwe s ILE 162 Cb -0.11 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1dwe s ILE 162 CO 0.29 0.23 0.06 -0.69 0.00 0.00 0.00 174.94 174.83 1dwe s VAL 163 N -1.51 4.41 0.19 2.92 1.01 -0.51 -1.58 120.40 125.33 1dwe s VAL 163 Ca 0.47 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1dwe s VAL 163 Cb -0.20 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.97 1dwe s VAL 163 CO 0.25 0.14 1.55 -1.61 0.00 0.00 0.00 175.10 175.43 1dwe s GLU 164 N -2.33 4.22 0.29 2.72 8.01 -1.26 -4.63 118.70 125.72 1dwe s GLU 164 Ca 0.28 2.37 -0.02 0.00 0.01 0.00 0.00 54.97 57.61 1dwe s GLU 164 Cb -0.12 -3.13 0.64 0.00 -4.31 0.00 0.00 34.13 27.20 1dwe s GLU 164 CO 0.21 -0.58 1.57 0.00 0.01 0.00 0.00 175.26 176.47 1dwe h ARG 165 N 6.34 0.01 -0.33 1.61 3.08 -1.98 0.16 114.38 123.27 1dwe h ARG 165 Ca -0.44 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.67 1dwe h ARG 165 Cb 1.21 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.20 1dwe h ARG 165 CO 0.88 0.01 0.01 -1.35 -1.07 0.00 0.00 179.97 178.45 1dwe h PRO 166 N 0.01 0.10 -0.28 0.04 0.11 -1.99 0.30 132.00 130.29 1dwe h PRO 166 Ca 0.55 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.66 1dwe h PRO 166 Cb 1.04 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1dwe h PRO 166 CO -0.93 0.07 0.16 0.28 -0.21 0.00 0.00 178.00 177.37 1dwe h VAL 167 N 0.10 1.02 -0.03 3.15 2.07 -1.10 -1.58 116.25 119.88 1dwe h VAL 167 Ca 0.16 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1dwe h VAL 167 Cb 0.21 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1dwe h VAL 167 CO -0.26 0.06 -0.18 0.00 0.02 0.00 0.00 177.57 177.22 1dwe h LYS 169 N -0.27 1.01 -0.67 0.00 2.10 -0.28 -1.98 116.57 116.47 1dwe h LYS 169 Ca 0.07 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dwe h LYS 169 Cb 0.36 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1dwe h LYS 169 CO -0.19 0.67 0.00 -0.25 -2.00 0.00 0.00 179.45 177.68 1dwe n ASP 170 N -4.50 0.78 0.00 7.07 8.00 -0.61 -3.53 116.55 123.76 1dwe n ASP 170 Ca 0.14 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1dwe n ASP 170 Cb 0.21 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1dwe n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1dwe n SER 171 N -0.14 0.15 -4.02 -2.24 3.41 -0.74 -5.03 113.62 105.01 1dwe n SER 171 Ca 0.01 -0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 57.86 1dwe n SER 171 Cb 0.19 0.85 -0.14 0.00 -0.26 0.00 0.00 64.21 64.84 1dwe n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1dwe s THR 172 N -0.85 0.66 -1.74 6.66 -1.32 -1.23 -4.93 115.64 112.90 1dwe s THR 172 Ca 0.00 -0.41 0.30 0.00 -1.21 0.00 0.00 61.69 60.37 1dwe s THR 172 Cb 0.00 -0.56 0.69 0.00 -1.51 0.00 0.00 72.50 71.12 1dwe s THR 172 CO 0.00 0.15 2.07 -2.11 -2.21 0.00 0.00 174.62 172.52 1dwe n ARG 173 N 2.78 0.70 -2.21 7.08 0.00 -1.26 -4.78 116.66 118.96 1dwe n ARG 173 Ca -0.14 0.01 -0.33 0.00 -0.00 0.00 0.00 57.85 57.39 1dwe n ARG 173 Cb 0.57 -1.50 -0.01 0.00 -0.00 0.00 0.00 32.46 31.52 1dwe n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1dwe s ILE 174 N -2.26 4.10 -0.89 8.89 1.01 -1.26 -4.98 121.20 125.81 1dwe s ILE 174 Ca 0.37 1.01 -0.20 0.00 0.00 0.00 0.00 60.65 61.83 1dwe s ILE 174 Cb 0.20 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 39.25 1dwe s ILE 174 CO 0.39 -0.57 1.15 -0.60 0.00 0.00 0.00 174.94 175.32 1dwe s ARG 175 N -4.04 3.49 0.46 2.79 3.52 -1.26 -5.02 118.95 118.89 1dwe s ARG 175 Ca 0.62 -1.44 -0.22 0.00 -0.13 0.00 0.00 55.73 54.57 1dwe s ARG 175 Cb -0.14 -4.84 -0.08 0.00 -1.56 0.00 0.00 34.95 28.33 1dwe s ARG 175 CO 0.34 -1.86 1.06 0.96 -0.81 0.00 0.00 175.30 174.99 1dwe s ILE 176 N 3.42 3.64 0.47 4.11 -4.36 -1.26 -4.85 121.20 122.37 1dwe s ILE 176 Ca 0.33 1.11 0.02 0.00 -0.26 0.00 0.00 60.65 61.85 1dwe s ILE 176 Cb -0.06 -3.50 -0.01 0.00 1.25 0.00 0.00 42.46 40.14 1dwe s ILE 176 CO -0.05 -0.13 0.07 0.35 0.24 0.00 0.00 174.94 175.41 1dwe n THR 177 N -0.67 0.00 0.57 8.37 -2.24 -1.26 -5.01 114.28 114.04 1dwe n THR 177 Ca 0.08 -2.44 0.07 0.00 -2.27 0.00 0.00 64.05 59.49 1dwe n THR 177 Cb 0.51 0.66 0.33 0.00 -2.10 0.00 0.00 70.33 69.73 1dwe n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dwe n ASP 178 N -1.40 0.00 -1.86 3.42 9.92 -1.26 -2.31 116.55 123.06 1dwe n ASP 178 Ca -0.15 0.35 0.07 0.00 -0.53 0.00 0.00 54.79 54.53 1dwe n ASP 178 Cb 0.64 -0.42 0.40 0.00 -0.64 0.00 0.00 41.12 41.10 1dwe n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1dwe n ASN 179 N -1.42 5.62 -4.28 -2.24 3.02 -1.26 -4.92 115.26 109.78 1dwe n ASN 179 Ca 0.05 -2.89 -0.15 0.00 -0.03 0.00 0.00 54.58 51.55 1dwe n ASN 179 Cb 0.15 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.54 1dwe n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1dwe s MET 180 N -2.69 1.18 0.09 3.52 -1.94 -0.98 -1.31 119.30 117.17 1dwe s MET 180 Ca 0.53 -1.56 -0.26 0.00 -1.71 0.00 0.00 55.69 52.70 1dwe s MET 180 Cb 0.41 -0.51 0.07 0.00 2.01 0.00 0.00 34.83 36.81 1dwe s MET 180 CO 0.16 -0.05 0.64 -0.59 -0.01 0.00 0.00 175.02 175.16 1dwe s PHE 181 N -3.47 -0.56 0.21 -0.03 -0.12 -0.82 -4.80 117.98 108.39 1dwe s PHE 181 Ca 0.23 0.55 0.08 0.00 -0.05 0.00 0.00 56.93 57.74 1dwe s PHE 181 Cb 0.05 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1dwe s PHE 181 CO 0.05 -0.76 -0.14 0.00 -0.05 0.00 0.00 175.22 174.31 1dwe s ALA 183 N -2.97 -0.40 0.00 0.00 0.00 -1.04 -1.43 121.76 115.93 1dwe s ALA 183 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1dwe s ALA 183 Cb -0.01 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1dwe s ALA 183 CO 0.07 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1dwe n GLY 184 N -0.13 4.10 3.87 0.00 0.00 -0.21 -2.45 105.19 110.37 1dwe n GLY 184 Ca -0.14 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 1dwe n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dwe s TYR 184 N -2.27 3.58 0.34 1.61 2.02 -1.26 -4.56 117.35 116.81 1dwe s TYR 184 Ca 0.00 1.25 -0.02 0.00 -0.37 0.00 0.00 57.07 57.93 1dwe s TYR 184 Cb 0.00 -2.77 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 1dwe s TYR 184 CO 0.00 -0.76 0.57 0.15 -1.57 0.00 0.00 175.55 173.93 1dwe s LYS 185 N -5.20 3.54 0.45 -0.62 1.02 -1.26 -4.84 119.74 112.82 1dwe s LYS 185 Ca 0.55 -0.17 0.22 0.00 0.02 0.00 0.00 55.97 56.59 1dwe s LYS 185 Cb -0.11 -2.64 1.21 0.00 -0.52 0.00 0.00 37.83 35.77 1dwe s LYS 185 CO 0.54 0.14 1.84 -1.35 -0.92 0.00 0.00 175.35 175.60 1dwe h PRO 186 N 1.04 0.28 -0.13 -1.68 0.11 -1.96 0.47 132.00 130.12 1dwe h PRO 186 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1dwe h PRO 186 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dwe h PRO 186 CO 0.63 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1dwe n ASP 186 N -4.46 1.34 0.09 -2.05 5.75 -1.26 -4.22 116.55 111.74 1dwe n ASP 186 Ca 0.21 -1.66 0.13 0.00 -0.01 0.00 0.00 54.79 53.46 1dwe n ASP 186 Cb 0.82 -0.09 0.38 0.00 -1.03 0.00 0.00 41.12 41.20 1dwe n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1dwe n GLU 186 N 0.11 0.25 -0.95 0.11 1.02 0.16 -4.97 120.64 116.37 1dwe n GLU 186 Ca 0.16 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1dwe n GLU 186 Cb 0.28 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1dwe n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dwe n GLY 186 N 1.33 0.77 3.35 0.62 0.00 -1.26 -4.98 105.19 105.02 1dwe n GLY 186 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1dwe n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dwe s LYS 186 N -0.16 1.46 0.33 1.61 1.02 -1.26 -5.18 119.74 117.57 1dwe s LYS 186 Ca 0.00 -1.80 0.01 0.00 0.02 0.00 0.00 55.97 54.21 1dwe s LYS 186 Cb 0.00 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1dwe s LYS 186 CO 0.00 -0.27 0.39 1.03 -0.92 0.00 0.00 175.35 175.58 1dwe s ARG 187 N -4.00 1.83 0.00 1.68 0.52 -1.26 -4.75 118.95 112.97 1dwe s ARG 187 Ca 0.38 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1dwe s ARG 187 Cb 0.08 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.95 1dwe s ARG 187 CO 0.14 -0.73 0.00 0.41 0.02 0.00 0.00 175.30 175.14 1dwe n GLY 188 N -0.58 4.62 3.61 -3.53 0.00 -1.26 -4.90 105.19 103.14 1dwe n GLY 188 Ca 0.03 -1.29 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 1dwe n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dwe s ASP 189 N 0.00 -0.18 0.78 1.61 2.15 -1.08 -4.67 116.67 115.28 1dwe s ASP 189 Ca 0.00 -0.10 -0.05 0.00 0.43 0.00 0.00 52.55 52.83 1dwe s ASP 189 Cb 0.00 0.27 0.13 0.00 -0.30 0.00 0.00 42.92 43.01 1dwe s ASP 189 CO 0.00 -0.46 0.82 0.00 -0.17 0.00 0.00 175.17 175.36 1dwe n ALA 190 N -0.29 -0.34 -3.86 3.66 0.00 -1.26 -1.09 120.51 117.34 1dwe n ALA 190 Ca -0.05 -1.36 -0.04 0.00 0.00 0.00 0.00 53.44 51.99 1dwe n ALA 190 Cb 0.61 0.12 0.02 0.00 0.00 0.00 0.00 19.45 20.19 1dwe n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dwe n GLU 192 N -0.65 1.13 0.00 0.00 4.71 -1.26 -1.13 120.64 123.44 1dwe n GLU 192 Ca -0.04 0.40 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 1dwe n GLU 192 Cb 0.60 -1.85 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 1dwe n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dwe n GLY 193 N 1.87 3.12 0.16 0.62 0.00 -1.26 -1.15 105.19 108.54 1dwe n GLY 193 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1dwe n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dwe h ASP 194 N 0.00 0.00 -2.32 1.61 3.32 -1.47 -3.34 116.42 114.22 1dwe h ASP 194 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1dwe h ASP 194 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1dwe h ASP 194 CO 0.00 0.07 -0.18 -1.20 -1.72 0.00 0.00 179.24 176.21 1dwe n SER 195 N -2.90 0.03 0.00 6.45 7.64 -1.26 -1.51 113.62 122.07 1dwe n SER 195 Ca 0.01 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1dwe n SER 195 Cb 0.57 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1dwe n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dwe n GLY 196 N 1.56 2.36 3.74 0.23 0.00 -0.76 -1.08 105.19 111.24 1dwe n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1dwe n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dwe s GLY 197 N -1.99 1.65 0.01 -0.02 0.00 -0.57 -2.87 107.32 103.53 1dwe s GLY 197 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.75 1dwe s GLY 197 CO 0.00 0.53 0.28 2.56 0.00 0.00 0.00 173.10 176.47 1dwe s PRO 198 N -4.91 3.60 -0.44 2.90 0.04 -1.26 -0.90 135.00 134.03 1dwe s PRO 198 Ca 0.62 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 1dwe s PRO 198 Cb -0.18 -3.08 0.09 0.00 0.04 0.00 0.00 34.50 31.38 1dwe s PRO 198 CO 0.57 0.64 0.31 0.12 0.04 0.00 0.00 177.00 178.68 1dwe s PHE 199 N -1.30 3.33 0.33 0.56 2.19 -0.15 -3.89 117.98 119.05 1dwe s PHE 199 Ca 0.28 -1.47 0.07 0.00 0.33 0.00 0.00 56.93 56.14 1dwe s PHE 199 Cb -0.13 -3.14 -0.03 0.00 -1.31 0.00 0.00 43.02 38.40 1dwe s PHE 199 CO 0.16 -0.88 0.27 0.14 1.83 0.00 0.00 175.22 176.75 1dwe s VAL 200 N 1.46 3.60 0.03 3.12 -7.23 -0.79 -1.89 120.40 118.70 1dwe s VAL 200 Ca 0.04 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1dwe s VAL 200 Cb -0.24 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 1dwe s VAL 200 CO 0.02 -0.19 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.54 1dwe s MET 201 N -3.97 0.38 -0.10 4.82 -1.94 0.58 -1.06 119.30 118.01 1dwe s MET 201 Ca 0.40 -0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1dwe s MET 201 Cb -0.06 0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.81 1dwe s MET 201 CO 0.26 -0.04 -0.03 0.21 -0.01 0.00 0.00 175.02 175.41 1dwe s LYS 202 N -1.74 3.06 -0.29 2.03 2.20 -1.26 0.38 119.74 124.12 1dwe s LYS 202 Ca -0.13 -0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 54.90 1dwe s LYS 202 Cb -0.08 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1dwe s LYS 202 CO -0.02 0.58 0.17 0.45 -0.36 0.00 0.00 175.35 176.17 1dwe s SER 203 N -0.56 5.79 0.36 1.43 0.15 -0.94 -4.97 113.70 114.95 1dwe s SER 203 Ca 0.09 -0.18 0.26 0.00 0.70 0.00 0.00 55.95 56.82 1dwe s SER 203 Cb -0.12 -2.07 1.24 0.00 -1.71 0.00 0.00 66.02 63.36 1dwe s SER 203 CO 0.02 -0.10 1.79 1.55 1.20 0.00 0.00 173.24 177.70 1dwe h PRO 204 N 8.36 0.00 0.13 5.44 0.13 -1.95 0.15 132.00 144.27 1dwe h PRO 204 Ca -0.35 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.43 1dwe h PRO 204 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1dwe h PRO 204 CO 0.58 0.00 -1.90 0.74 -0.23 0.00 0.00 178.00 177.18 1dwe h PHE 204 N 0.00 0.51 -0.08 1.56 0.04 -1.98 -3.39 116.94 113.60 1dwe h PHE 204 Ca 0.00 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1dwe h PHE 204 Cb 0.21 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1dwe h PHE 204 CO 0.00 1.70 0.00 0.27 -0.60 0.00 0.00 178.31 179.68 1dwe n ASN 204 N -3.48 2.01 -0.39 2.17 0.23 -1.19 -5.00 115.26 109.61 1dwe n ASN 204 Ca -0.29 -1.54 -0.05 0.00 -0.53 0.00 0.00 54.58 52.17 1dwe n ASN 204 Cb 1.06 -0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 38.68 1dwe n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1dwe n ASN 205 N 0.45 -5.71 -4.79 0.53 5.15 0.53 -4.99 115.26 106.42 1dwe n ASN 205 Ca 0.06 0.13 -0.26 0.00 -0.60 0.00 0.00 54.58 53.91 1dwe n ASN 205 Cb 0.27 -3.66 -0.05 0.00 -0.53 0.00 0.00 39.78 35.80 1dwe n ASN 205 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dwe s ARG 206 N -2.34 2.86 0.06 1.20 1.70 -1.24 -4.82 118.95 116.37 1dwe s ARG 206 Ca 0.00 -0.91 -0.24 0.00 -0.47 0.00 0.00 55.73 54.11 1dwe s ARG 206 Cb 0.00 -2.61 -0.06 0.00 -0.57 0.00 0.00 34.95 31.71 1dwe s ARG 206 CO 0.00 0.47 0.74 -1.58 -1.08 0.00 0.00 175.30 173.86 1dwe s TRP 207 N -1.80 3.77 -0.06 5.89 0.52 -1.26 -2.22 118.94 123.78 1dwe s TRP 207 Ca 0.31 1.47 0.04 0.00 0.02 0.00 0.00 56.10 57.94 1dwe s TRP 207 Cb -0.10 -2.78 -0.00 0.00 -1.15 0.00 0.00 33.47 29.45 1dwe s TRP 207 CO 0.23 0.34 -0.18 0.71 0.02 0.00 0.00 176.95 178.07 1dwe s TYR 208 N -0.32 1.86 -0.51 -1.98 1.51 0.16 -2.63 117.35 115.45 1dwe s TYR 208 Ca 0.37 -0.60 -0.23 0.00 -1.01 0.00 0.00 57.07 55.60 1dwe s TYR 208 Cb -0.21 -1.26 0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1dwe s TYR 208 CO 0.23 -0.22 0.84 -1.14 -1.11 0.00 0.00 175.55 174.14 1dwe s GLN 209 N 0.16 3.33 -0.00 -0.62 0.74 -0.30 -0.31 119.66 122.66 1dwe s GLN 209 Ca -0.08 -0.30 0.17 0.00 0.05 0.00 0.00 55.36 55.20 1dwe s GLN 209 Cb -0.13 -4.02 -0.18 0.00 1.10 0.00 0.00 33.01 29.77 1dwe s GLN 209 CO 0.04 -1.31 0.65 -1.33 -0.55 0.00 0.00 175.29 172.78 1dwe n MET 210 N 7.00 0.64 -4.08 1.67 2.81 -0.79 -4.35 117.12 120.02 1dwe n MET 210 Ca 0.01 0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 55.93 1dwe n MET 210 Cb 0.47 -1.74 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1dwe n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dwe s GLY 211 N -4.92 1.21 -0.08 3.03 0.00 -0.94 -2.38 107.32 103.23 1dwe s GLY 211 Ca -0.05 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1dwe s GLY 211 CO 0.82 -0.95 -0.11 -0.42 0.00 0.00 0.00 173.10 172.44 1dwe s ILE 212 N -3.50 1.12 -0.11 0.90 1.01 -0.80 -0.98 121.20 118.84 1dwe s ILE 212 Ca 0.29 -0.44 -0.35 0.00 0.00 0.00 0.00 60.65 60.15 1dwe s ILE 212 Cb 0.01 -1.05 -0.12 0.00 0.01 0.00 0.00 42.46 41.30 1dwe s ILE 212 CO 0.16 0.36 1.85 0.52 0.00 0.00 0.00 174.94 177.83 1dwe n VAL 213 N 4.09 0.52 0.02 2.92 0.31 -0.08 -0.82 118.33 125.30 1dwe n VAL 213 Ca -0.20 -0.09 -0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1dwe n VAL 213 Cb 0.51 -1.76 -0.00 0.00 -0.91 0.00 0.00 33.84 31.68 1dwe n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1dwe n SER 214 N 6.36 0.60 -3.83 4.52 2.88 -0.91 -1.83 113.62 121.41 1dwe n SER 214 Ca 0.23 0.08 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 1dwe n SER 214 Cb 0.27 -0.19 -0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1dwe n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1dwe s TRP 215 N -1.54 0.34 0.02 0.66 1.48 -1.03 -4.96 118.94 113.91 1dwe s TRP 215 Ca -0.00 -0.72 -0.28 0.00 -1.06 0.00 0.00 56.10 54.03 1dwe s TRP 215 Cb 0.00 0.28 0.10 0.00 -1.16 0.00 0.00 33.47 32.70 1dwe s TRP 215 CO 0.01 -1.08 1.23 0.20 -4.06 0.00 0.00 176.95 173.24 1dwe s GLY 216 N -3.03 -0.25 -0.41 3.67 0.00 -1.26 -1.04 107.32 105.00 1dwe s GLY 216 Ca 0.21 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.29 1dwe s GLY 216 CO 0.10 2.13 0.14 -0.54 0.00 0.00 0.00 173.10 174.93 1dwe s GLU 217 N -2.33 1.63 1.36 2.90 2.02 -1.26 -5.03 118.70 117.99 1dwe s GLU 217 Ca 0.20 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 53.05 1dwe s GLU 217 Cb 0.02 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1dwe s GLU 217 CO -0.01 -1.02 0.00 0.41 0.02 0.00 0.00 175.26 174.66 1dwe n GLY 219 N 3.81 -1.88 2.85 -1.39 0.00 -1.26 -4.71 105.19 102.60 1dwe n GLY 219 Ca 0.04 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.48 1dwe n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dwe n ASP 221 N 4.36 -5.64 -4.77 0.00 2.03 -1.26 -4.53 116.55 106.74 1dwe n ASP 221 Ca -0.20 0.12 -0.38 0.00 0.52 0.00 0.00 54.79 54.84 1dwe n ASP 221 Cb 0.51 -4.73 -0.05 0.00 -0.72 0.00 0.00 41.12 36.13 1dwe n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1dwe s ARG 221 N -4.65 4.54 0.30 -0.67 0.52 -1.26 -4.94 118.95 112.79 1dwe s ARG 221 Ca 0.00 1.56 -0.29 0.00 -0.52 0.00 0.00 55.73 56.48 1dwe s ARG 221 Cb 0.00 -2.95 -0.10 0.00 0.52 0.00 0.00 34.95 32.42 1dwe s ARG 221 CO 0.00 0.19 1.27 -0.51 0.02 0.00 0.00 175.30 176.27 1dwe s ASP 222 N -1.29 6.88 -0.25 0.23 1.01 -1.26 -2.49 116.67 119.51 1dwe s ASP 222 Ca 0.49 2.58 0.00 0.00 0.71 0.00 0.00 52.55 56.32 1dwe s ASP 222 Cb -0.25 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.04 1dwe s ASP 222 CO 0.32 -0.46 0.00 0.61 0.21 0.00 0.00 175.17 175.85 1dwe n GLY 223 N 1.08 0.56 3.20 0.21 0.00 -1.26 -5.02 105.19 103.96 1dwe n GLY 223 Ca 0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1dwe n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dwe s LYS 224 N -1.37 1.23 0.11 1.61 -0.14 -1.04 -4.87 119.74 115.27 1dwe s LYS 224 Ca 0.00 -0.84 0.06 0.00 -1.36 0.00 0.00 55.97 53.83 1dwe s LYS 224 Cb 0.00 -1.29 -0.04 0.00 -1.68 0.00 0.00 37.83 34.83 1dwe s LYS 224 CO 0.00 0.33 -0.14 0.71 -0.76 0.00 0.00 175.35 175.49 1dwe s TYR 225 N -0.77 1.34 0.21 3.18 1.51 -1.26 -4.69 117.35 116.88 1dwe s TYR 225 Ca 0.05 -0.55 -0.22 0.00 -1.01 0.00 0.00 57.07 55.35 1dwe s TYR 225 Cb -0.08 -0.71 -0.08 0.00 -0.11 0.00 0.00 41.96 40.97 1dwe s TYR 225 CO 0.01 0.12 0.75 0.20 -1.11 0.00 0.00 175.55 175.52 1dwe s GLY 226 N -2.36 2.70 -0.09 0.71 0.00 -1.03 -4.67 107.32 102.59 1dwe s GLY 226 Ca 0.07 0.24 -0.03 0.00 0.00 0.00 0.00 44.72 45.00 1dwe s GLY 226 CO 0.03 0.64 0.03 -1.36 0.00 0.00 0.00 173.10 172.44 1dwe s PHE 227 N -1.43 3.25 0.13 1.90 0.40 -0.20 -2.50 117.98 119.54 1dwe s PHE 227 Ca 0.41 0.26 0.08 0.00 -0.60 0.00 0.00 56.93 57.09 1dwe s PHE 227 Cb -0.18 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 1dwe s PHE 227 CO 0.22 0.53 -0.19 0.71 0.70 0.00 0.00 175.22 177.19 1dwe s TYR 228 N -0.92 1.78 0.06 0.36 1.51 0.02 -2.14 117.35 118.02 1dwe s TYR 228 Ca 0.14 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.45 1dwe s TYR 228 Cb -0.11 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1dwe s TYR 228 CO 0.03 0.27 1.07 0.99 -1.11 0.00 0.00 175.55 176.79 1dwe s THR 229 N -1.66 4.41 -0.91 -0.71 2.01 -0.00 -1.94 115.64 116.84 1dwe s THR 229 Ca 0.11 1.79 -0.24 0.00 0.31 0.00 0.00 61.69 63.66 1dwe s THR 229 Cb -0.08 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.32 1dwe s THR 229 CO 0.05 0.18 1.46 -2.28 -0.69 0.00 0.00 174.62 173.34 1dwe s HIS 230 N 0.75 2.36 0.34 4.92 2.46 -0.43 -1.91 115.29 123.78 1dwe s HIS 230 Ca 0.53 -0.41 0.02 0.00 0.47 0.00 0.00 55.06 55.67 1dwe s HIS 230 Cb -0.25 -4.60 0.60 0.00 -0.13 0.00 0.00 32.58 28.20 1dwe s HIS 230 CO 0.29 -1.98 2.00 0.28 -2.47 0.00 0.00 174.74 172.86 1dwe h VAL 231 N 6.61 1.16 -0.02 0.89 2.07 -1.80 -2.99 116.25 122.17 1dwe h VAL 231 Ca 0.03 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1dwe h VAL 231 Cb 1.03 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1dwe h VAL 231 CO 1.36 0.17 -0.02 0.15 0.02 0.00 0.00 177.57 179.25 1dwe h PHE 232 N 0.91 -0.04 0.00 1.57 3.57 -1.88 -1.90 116.94 119.16 1dwe h PHE 232 Ca 0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1dwe h PHE 232 Cb -0.07 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1dwe h PHE 232 CO -0.00 -0.03 -0.02 0.00 -2.23 0.00 0.00 178.31 176.03 1dwe h ARG 233 N -0.03 0.00 -0.01 1.11 2.47 -1.90 -2.61 114.38 113.41 1dwe h ARG 233 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1dwe h ARG 233 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1dwe h ARG 233 CO -0.03 0.02 -0.24 1.28 0.56 0.00 0.00 179.97 181.56 1dwe n LEU 234 N -4.26 1.68 -0.38 3.04 4.77 -0.98 -4.51 117.00 116.35 1dwe n LEU 234 Ca -0.03 -0.55 0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1dwe n LEU 234 Cb 0.11 -0.05 0.58 0.00 -2.33 0.00 0.00 43.42 41.73 1dwe n LEU 234 CO 0.32 0.30 1.22 0.50 -1.33 0.00 0.00 177.39 178.40 1dwe h LYS 235 N 2.26 0.23 -0.36 3.23 3.64 -0.95 -0.21 116.57 124.40 1dwe h LYS 235 Ca 0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1dwe h LYS 235 Cb 0.65 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1dwe h LYS 235 CO 0.00 0.15 -0.28 0.87 -2.27 0.00 0.00 179.45 177.92 1dwe h LYS 236 N 0.23 0.77 -0.48 1.90 1.79 -1.83 -0.35 116.57 118.61 1dwe h LYS 236 Ca 0.71 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.82 1dwe h LYS 236 Cb 2.04 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.64 1dwe h LYS 236 CO -0.36 0.96 0.26 2.35 -1.08 0.00 0.00 179.45 181.58 1dwe h TRP 237 N 0.66 0.67 0.20 -1.35 7.01 -1.37 0.11 115.95 121.88 1dwe h TRP 237 Ca 0.08 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1dwe h TRP 237 Cb 0.81 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 1dwe h TRP 237 CO 0.04 0.51 -0.25 0.82 -2.79 0.00 0.00 178.44 176.77 1dwe h ILE 238 N 0.64 0.46 -0.68 2.65 2.04 -1.22 -1.14 117.51 120.25 1dwe h ILE 238 Ca 0.17 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.15 1dwe h ILE 238 Cb 0.07 0.46 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 1dwe h ILE 238 CO -0.03 0.00 0.24 -0.61 0.00 0.00 0.00 178.15 177.76 1dwe h GLN 239 N -0.50 0.38 -0.19 2.37 4.15 -0.86 0.27 115.11 120.73 1dwe h GLN 239 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1dwe h GLN 239 Cb 0.49 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1dwe h GLN 239 CO -0.09 0.25 0.11 -0.22 -1.93 0.00 0.00 178.83 176.96 1dwe h LYS 240 N 0.40 0.26 -0.19 1.69 3.64 -0.32 -2.79 116.57 119.25 1dwe h LYS 240 Ca 0.36 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1dwe h LYS 240 Cb 0.52 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1dwe h LYS 240 CO -0.38 0.23 0.04 0.28 -2.27 0.00 0.00 179.45 177.35 1dwe h VAL 241 N 0.22 1.21 -0.02 2.00 2.07 -0.41 -3.29 116.25 118.03 1dwe h VAL 241 Ca 0.07 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1dwe h VAL 241 Cb 0.04 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1dwe h VAL 241 CO -0.01 0.21 -0.01 0.40 0.02 0.00 0.00 177.57 178.18 1dwe h ILE 242 N 0.12 0.97 -5.82 4.57 2.04 -1.00 -3.48 117.51 114.92 1dwe h ILE 242 Ca 0.06 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.55 1dwe h ILE 242 Cb 0.28 0.97 0.13 0.00 -0.74 0.00 0.00 36.82 37.46 1dwe h ILE 242 CO 0.00 0.00 -0.77 0.47 0.00 0.00 0.00 178.15 177.85 1dwe n ASP 243 N -5.11 -2.70 0.28 1.72 8.00 -1.05 -4.87 116.55 112.81 1dwe n ASP 243 Ca -0.06 -0.66 0.18 0.00 0.71 0.00 0.00 54.79 54.96 1dwe n ASP 243 Cb 0.05 -4.80 0.94 0.00 -0.02 0.00 0.00 41.12 37.28 1dwe n ASP 243 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1dwe h GLN 244 N -2.04 0.00 -0.33 -1.24 4.20 -1.92 -2.99 115.11 110.79 1dwe h GLN 244 Ca -0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.12 1dwe h GLN 244 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1dwe h GLN 244 CO 0.53 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.88 1dwe n PHE 245 N -3.35 0.52 0.00 2.96 3.72 -1.26 -5.31 117.46 114.74 1dwe n PHE 245 Ca -0.01 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 1dwe n PHE 245 Cb 0.27 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1dwe n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12