#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dtx s PHE 2 N 0.00 3.44 0.50 1.61 0.40 -1.26 -4.96 117.98 117.71 2dtx s PHE 2 Ca 0.00 -2.81 0.32 0.00 -0.60 0.00 0.00 56.93 53.84 2dtx s PHE 2 Cb 0.00 -3.16 1.44 0.00 0.51 0.00 0.00 43.02 41.80 2dtx s PHE 2 CO 0.00 -0.81 1.79 0.77 0.70 0.00 0.00 175.22 177.67 2dtx h SER 3 N 6.81 0.12 0.45 1.36 0.02 -2.01 -1.06 113.55 119.25 2dtx h SER 3 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2dtx h SER 3 Cb 0.93 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2dtx h SER 3 CO 0.72 0.02 0.00 -2.24 -1.14 0.00 0.00 176.83 174.19 2dtx h ASP 4 N 0.10 0.00 1.46 3.07 2.03 -1.93 -2.19 116.42 118.96 2dtx h ASP 4 Ca 0.58 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.88 2dtx h ASP 4 Cb 2.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.57 2dtx h ASP 4 CO -0.09 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.05 2dtx h LEU 5 N 0.00 0.00 -9.80 0.15 3.38 -1.48 -3.45 115.31 104.11 2dtx h LEU 5 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2dtx h LEU 5 Cb 0.23 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.07 2dtx h LEU 5 CO 0.00 0.00 0.83 -2.11 0.09 0.00 0.00 178.44 177.25 2dtx n ARG 6 N -2.41 2.63 -0.51 1.13 1.85 -0.83 -2.13 116.66 116.40 2dtx n ARG 6 Ca 0.05 0.93 0.00 0.00 -1.00 0.00 0.00 57.85 57.83 2dtx n ARG 6 Cb 0.42 -2.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.14 2dtx n ARG 6 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dtx n ASP 7 N 1.87 0.00 -4.81 2.89 8.00 0.46 -4.86 116.55 120.11 2dtx n ASP 7 Ca 0.08 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.23 2dtx n ASP 7 Cb 0.37 -1.20 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 2dtx n ASP 7 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dtx s LYS 8 N -0.38 4.28 -0.18 -1.24 1.02 -0.90 -4.51 119.74 117.82 2dtx s LYS 8 Ca 0.00 1.22 -0.26 0.00 0.02 0.00 0.00 55.97 56.95 2dtx s LYS 8 Cb 0.00 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2dtx s LYS 8 CO 0.00 0.01 0.86 0.08 -0.92 0.00 0.00 175.35 175.38 2dtx s VAL 9 N -1.99 4.85 -0.11 3.17 1.01 -1.26 -0.71 120.40 125.35 2dtx s VAL 9 Ca 0.59 1.69 0.01 0.00 0.00 0.00 0.00 61.98 64.27 2dtx s VAL 9 Cb -0.13 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.11 2dtx s VAL 9 CO 0.17 -0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 174.43 2dtx s VAL 10 N 2.35 1.43 -0.16 2.92 1.01 0.02 -1.35 120.40 126.62 2dtx s VAL 10 Ca 0.39 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2dtx s VAL 10 Cb -0.16 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2dtx s VAL 10 CO 0.11 0.43 0.04 -0.63 0.00 0.00 0.00 175.10 175.05 2dtx s ILE 11 N 1.14 4.62 -0.10 2.22 1.01 -0.25 -0.89 121.20 128.96 2dtx s ILE 11 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2dtx s ILE 11 Cb -0.14 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.29 2dtx s ILE 11 CO -0.04 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.57 2dtx s VAL 12 N 0.16 1.35 0.19 2.92 1.01 -0.27 -0.28 120.40 125.49 2dtx s VAL 12 Ca 0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2dtx s VAL 12 Cb -0.13 -1.25 -0.07 0.00 0.00 0.00 0.00 36.38 34.94 2dtx s VAL 12 CO 0.01 0.41 0.54 0.42 0.00 0.00 0.00 175.10 176.48 2dtx s THR 13 N 0.98 4.93 -1.24 3.92 -4.23 -0.49 -1.30 115.64 118.19 2dtx s THR 13 Ca -0.08 0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 2dtx s THR 13 Cb -0.15 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.04 2dtx s THR 13 CO -0.01 0.04 1.00 0.61 -0.54 0.00 0.00 174.62 175.73 2dtx n GLY 14 N 0.20 -0.39 1.59 3.99 0.00 0.20 -2.65 105.19 108.13 2dtx n GLY 14 Ca -0.02 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2dtx n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dtx n ALA 15 N -4.31 4.54 0.29 4.61 0.00 -1.26 -4.06 120.51 120.33 2dtx n ALA 15 Ca -0.23 -2.81 0.12 0.00 0.00 0.00 0.00 53.44 50.52 2dtx n ALA 15 Cb 0.65 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 19.14 2dtx n ALA 15 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dtx h SER 16 N 1.45 0.00 -5.26 0.00 0.02 -1.86 -3.28 113.55 104.62 2dtx h SER 16 Ca 0.31 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 2dtx h SER 16 Cb 2.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.59 2dtx h SER 16 CO 0.63 0.04 -0.00 0.00 -1.14 0.00 0.00 176.83 176.37 2dtx s MET 17 N -3.28 1.92 2.43 3.45 0.23 -1.26 -4.77 119.30 118.02 2dtx s MET 17 Ca 0.03 -1.49 0.00 0.00 -1.03 0.00 0.00 55.69 53.20 2dtx s MET 17 Cb 0.11 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.92 2dtx s MET 17 CO 0.76 -0.84 0.00 0.41 -2.03 0.00 0.00 175.02 173.32 2dtx n GLY 18 N -0.50 2.13 0.28 3.16 0.00 -1.26 -1.58 105.19 107.41 2dtx n GLY 18 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2dtx n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dtx h ILE 19 N 0.00 1.02 -0.88 -0.61 2.04 -1.91 -1.44 117.51 115.73 2dtx h ILE 19 Ca 0.00 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2dtx h ILE 19 Cb 0.00 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 2dtx h ILE 19 CO 0.00 0.15 0.58 1.23 0.00 0.00 0.00 178.15 180.10 2dtx h GLY 20 N 0.80 1.26 1.30 5.37 0.00 -1.66 0.11 103.07 110.25 2dtx h GLY 20 Ca 0.31 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2dtx h GLY 20 CO -0.16 0.41 -0.25 -0.09 0.00 0.00 0.00 176.54 176.46 2dtx h ARG 21 N 1.15 0.80 -0.61 4.80 2.43 -0.78 -1.06 114.38 121.10 2dtx h ARG 21 Ca 0.34 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2dtx h ARG 21 Cb -0.07 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2dtx h ARG 21 CO -0.09 0.96 0.11 0.00 -1.51 0.00 0.00 179.97 179.44 2dtx h ALA 22 N 1.03 1.04 -0.21 2.80 0.00 -0.44 -0.34 119.26 123.13 2dtx h ALA 22 Ca 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2dtx h ALA 22 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2dtx h ALA 22 CO 0.06 0.62 -0.00 0.82 0.00 0.00 0.00 179.25 180.75 2dtx h ILE 23 N 0.93 1.26 -0.52 0.00 2.04 -0.55 -1.25 117.51 119.42 2dtx h ILE 23 Ca 0.19 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.18 2dtx h ILE 23 Cb 0.39 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2dtx h ILE 23 CO 0.01 0.27 0.31 0.00 0.00 0.00 0.00 178.15 178.74 2dtx h ALA 24 N 0.79 0.66 -0.71 1.87 0.00 -0.91 -1.80 119.26 119.17 2dtx h ALA 24 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2dtx h ALA 24 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2dtx h ALA 24 CO 0.01 0.02 0.24 0.93 0.00 0.00 0.00 179.25 180.46 2dtx h GLU 25 N 0.62 1.07 -0.33 0.00 5.08 -0.96 -1.20 114.58 118.87 2dtx h GLU 25 Ca 0.21 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2dtx h GLU 25 Cb 0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2dtx h GLU 25 CO -0.09 0.90 0.15 -0.09 -1.00 0.00 0.00 179.01 178.88 2dtx h ARG 26 N 1.04 0.48 -0.48 2.33 9.65 -0.81 -0.07 114.38 126.51 2dtx h ARG 26 Ca 0.23 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2dtx h ARG 26 Cb 0.25 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 2dtx h ARG 26 CO -0.01 0.45 0.13 0.74 2.80 0.00 0.00 179.97 184.08 2dtx h PHE 27 N 0.39 0.73 -0.61 2.20 -1.00 -1.06 -0.90 116.94 116.70 2dtx h PHE 27 Ca 0.11 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 2dtx h PHE 27 Cb 0.14 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 2dtx h PHE 27 CO -0.01 0.61 0.29 0.28 -1.61 0.00 0.00 178.31 177.87 2dtx h VAL 28 N 0.70 1.21 0.00 -0.55 2.07 -0.77 -1.24 116.25 117.68 2dtx h VAL 28 Ca 0.16 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 2dtx h VAL 28 Cb 0.24 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2dtx h VAL 28 CO -0.01 0.24 -0.13 0.44 0.02 0.00 0.00 177.57 178.14 2dtx h ASP 29 N 0.83 0.00 0.48 0.57 3.32 -0.19 -0.10 116.42 121.33 2dtx h ASP 29 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2dtx h ASP 29 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2dtx h ASP 29 CO -0.03 0.13 0.00 -0.62 -1.72 0.00 0.00 179.24 177.00 2dtx n GLU 30 N -3.97 0.51 -0.46 3.56 -0.58 -0.42 -4.90 120.64 114.38 2dtx n GLU 30 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2dtx n GLU 30 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2dtx n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dtx n GLY 31 N 1.21 0.76 3.84 0.62 0.00 -0.05 -3.31 105.19 108.27 2dtx n GLY 31 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2dtx n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dtx s SER 32 N -2.17 4.93 -0.46 1.61 0.01 -0.55 -0.40 113.70 116.67 2dtx s SER 32 Ca 0.00 1.26 -0.16 0.00 1.31 0.00 0.00 55.95 58.36 2dtx s SER 32 Cb 0.00 -2.03 0.05 0.00 0.21 0.00 0.00 66.02 64.25 2dtx s SER 32 CO 0.00 -1.68 0.42 -0.54 0.41 0.00 0.00 173.24 171.85 2dtx s LYS 33 N -5.23 3.02 -0.11 12.44 1.02 0.11 -4.55 119.74 126.44 2dtx s LYS 33 Ca 0.60 -1.12 -0.04 0.00 0.02 0.00 0.00 55.97 55.43 2dtx s LYS 33 Cb -0.13 -4.07 -0.03 0.00 -0.52 0.00 0.00 37.83 33.07 2dtx s LYS 33 CO 0.53 -0.98 0.03 0.08 -0.92 0.00 0.00 175.35 174.09 2dtx s VAL 34 N 1.89 4.52 -0.09 3.17 1.01 -1.26 -0.80 120.40 128.84 2dtx s VAL 34 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2dtx s VAL 34 Cb -0.21 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2dtx s VAL 34 CO 0.09 0.58 -0.10 -0.63 0.00 0.00 0.00 175.10 175.04 2dtx s ILE 35 N -0.61 1.11 -0.14 2.22 1.09 -0.06 -1.03 121.20 123.78 2dtx s ILE 35 Ca 0.10 -0.41 -0.17 0.00 -1.10 0.00 0.00 60.65 59.08 2dtx s ILE 35 Cb -0.12 -1.06 -0.04 0.00 -1.06 0.00 0.00 42.46 40.18 2dtx s ILE 35 CO 0.02 0.37 0.45 -0.62 -0.10 0.00 0.00 174.94 175.05 2dtx s ASP 36 N 1.15 6.61 -0.35 3.58 3.68 -0.03 -1.11 116.67 130.20 2dtx s ASP 36 Ca -0.05 0.73 -0.05 0.00 2.13 0.00 0.00 52.55 55.30 2dtx s ASP 36 Cb -0.14 -2.27 0.05 0.00 -1.45 0.00 0.00 42.92 39.12 2dtx s ASP 36 CO -0.02 -0.01 0.12 -0.76 0.13 0.00 0.00 175.17 174.62 2dtx s LEU 37 N 0.77 4.45 0.24 -1.34 1.43 -0.42 -1.09 118.68 122.72 2dtx s LEU 37 Ca 0.24 -1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 51.83 2dtx s LEU 37 Cb -0.15 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2dtx s LEU 37 CO 0.09 -0.37 0.61 -0.94 0.23 0.00 0.00 176.35 175.97 2dtx s SER 38 N 1.52 -0.27 0.37 2.29 1.04 -1.15 -0.63 113.70 116.88 2dtx s SER 38 Ca -0.01 -0.56 0.23 0.00 0.48 0.00 0.00 55.95 56.10 2dtx s SER 38 Cb -0.20 0.64 0.27 0.00 0.10 0.00 0.00 66.02 66.83 2dtx s SER 38 CO 0.01 -1.18 1.48 0.16 0.98 0.00 0.00 173.24 174.69 2dtx h ILE 39 N 2.10 0.00 -3.03 -1.02 3.07 -1.84 0.15 117.51 116.94 2dtx h ILE 39 Ca -0.25 -0.98 -0.66 0.00 1.55 0.00 0.00 64.86 64.52 2dtx h ILE 39 Cb 1.26 1.85 -0.10 0.00 -0.27 0.00 0.00 36.82 39.57 2dtx h ILE 39 CO 0.31 0.00 -0.56 -1.00 -1.05 0.00 0.00 178.15 175.85 2dtx s HIS 40 N -3.24 3.34 -0.15 0.16 3.76 -1.26 -4.85 115.29 113.05 2dtx s HIS 40 Ca 0.05 0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.94 2dtx s HIS 40 Cb 0.06 -1.79 -0.00 0.00 1.11 0.00 0.00 32.58 31.96 2dtx s HIS 40 CO 0.70 0.58 1.02 0.34 -0.85 0.00 0.00 174.74 176.52 2dtx s ASP 41 N -1.50 7.20 0.00 1.40 3.68 -1.26 -4.78 116.67 121.40 2dtx s ASP 41 Ca 0.20 1.48 0.09 0.00 2.13 0.00 0.00 52.55 56.45 2dtx s ASP 41 Cb -0.12 -2.55 0.54 0.00 -1.45 0.00 0.00 42.92 39.34 2dtx s ASP 41 CO 0.11 -0.52 0.97 -0.81 0.13 0.00 0.00 175.17 175.05 2dtx n PRO 42 N 5.43 0.30 0.00 4.34 -0.04 -1.26 -4.95 135.00 138.82 2dtx n PRO 42 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2dtx n PRO 42 Cb 0.48 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2dtx n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dtx n GLY 43 N -0.38 0.13 3.56 0.55 0.00 -1.26 -4.44 105.19 103.36 2dtx n GLY 43 Ca 0.07 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 2dtx n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dtx s GLU 44 N 0.00 2.53 0.13 1.61 -1.05 -1.26 -4.92 118.70 115.74 2dtx s GLU 44 Ca 0.00 1.28 0.04 0.00 -0.15 0.00 0.00 54.97 56.14 2dtx s GLU 44 Cb 0.00 -4.46 -0.04 0.00 -0.44 0.00 0.00 34.13 29.19 2dtx s GLU 44 CO 0.00 -2.80 -0.10 0.00 0.95 0.00 0.00 175.26 173.31 2dtx s ALA 45 N 10.20 1.33 -0.99 -0.84 0.00 -1.26 -5.03 121.76 125.17 2dtx s ALA 45 Ca 0.88 -1.39 0.28 0.00 0.00 0.00 0.00 51.96 51.72 2dtx s ALA 45 Cb -0.19 0.05 1.02 0.00 0.00 0.00 0.00 23.12 24.00 2dtx s ALA 45 CO 0.27 -0.08 1.78 1.63 0.00 0.00 0.00 175.76 179.36 2dtx n LYS 46 N 0.05 0.01 -3.92 0.00 5.02 -1.26 -4.84 118.16 113.22 2dtx n LYS 46 Ca -0.12 0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 55.97 2dtx n LYS 46 Cb 0.60 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 2dtx n LYS 46 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2dtx s TYR 47 N -3.01 3.11 0.70 2.13 -0.85 -1.26 -4.95 117.35 113.23 2dtx s TYR 47 Ca 0.13 -0.16 -0.11 0.00 -0.52 0.00 0.00 57.07 56.40 2dtx s TYR 47 Cb 0.18 -1.62 0.01 0.00 0.38 0.00 0.00 41.96 40.91 2dtx s TYR 47 CO 0.58 0.34 1.07 0.34 -1.52 0.00 0.00 175.55 176.36 2dtx s ASP 48 N -3.95 5.43 -0.06 -0.18 2.15 -0.20 -4.91 116.67 114.95 2dtx s ASP 48 Ca 0.37 1.36 -0.07 0.00 0.43 0.00 0.00 52.55 54.64 2dtx s ASP 48 Cb -0.08 -2.23 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 2dtx s ASP 48 CO 0.27 -1.38 0.18 -2.28 -0.17 0.00 0.00 175.17 171.79 2dtx s HIS 49 N -3.20 -0.17 -0.07 -5.34 5.65 -1.26 -0.85 115.29 110.06 2dtx s HIS 49 Ca 0.58 0.40 0.01 0.00 0.25 0.00 0.00 55.06 56.30 2dtx s HIS 49 Cb -0.12 0.05 0.02 0.00 -1.18 0.00 0.00 32.58 31.35 2dtx s HIS 49 CO 0.54 -0.13 -0.09 0.42 -0.65 0.00 0.00 174.74 174.83 2dtx s ILE 50 N -0.14 0.93 -0.03 0.89 1.01 -0.25 -4.92 121.20 118.69 2dtx s ILE 50 Ca -0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 2dtx s ILE 50 Cb -0.02 -0.89 -0.06 0.00 0.01 0.00 0.00 42.46 41.49 2dtx s ILE 50 CO 0.01 0.32 1.75 -0.70 0.00 0.00 0.00 174.94 176.31 2dtx s GLU 51 N 0.95 4.15 -0.23 2.79 -6.30 -1.26 -2.92 118.70 115.88 2dtx s GLU 51 Ca -0.10 2.30 -0.13 0.00 -2.50 0.00 0.00 54.97 54.54 2dtx s GLU 51 Cb -0.15 -4.04 0.07 0.00 0.00 0.00 0.00 34.13 30.01 2dtx s GLU 51 CO 0.00 -0.90 0.57 0.00 0.02 0.00 0.00 175.26 174.95 2dtx s ASP 53 N 1.62 6.19 0.21 0.00 -1.08 -1.26 -2.84 116.67 119.51 2dtx s ASP 53 Ca -0.09 -0.43 0.16 0.00 -0.52 0.00 0.00 52.55 51.67 2dtx s ASP 53 Cb -0.07 -2.21 0.82 0.00 -1.46 0.00 0.00 42.92 40.00 2dtx s ASP 53 CO -0.17 -0.45 1.50 1.33 0.52 0.00 0.00 175.17 177.90 2dtx n VAL 54 N 5.33 1.22 1.28 1.11 0.24 -1.26 -1.49 118.33 124.76 2dtx n VAL 54 Ca -0.08 0.55 0.14 0.00 -2.04 0.00 0.00 64.34 62.91 2dtx n VAL 54 Cb 0.48 -1.52 0.53 0.00 -1.47 0.00 0.00 33.84 31.86 2dtx n VAL 54 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2dtx n THR 55 N -2.02 0.00 -3.40 3.34 -2.24 -1.26 -4.18 114.28 104.52 2dtx n THR 55 Ca -0.00 -0.05 -0.44 0.00 -2.27 0.00 0.00 64.05 61.29 2dtx n THR 55 Cb 0.07 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 2dtx n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2dtx s ASN 56 N -2.62 6.01 0.49 3.42 3.84 -0.56 -4.95 114.94 120.58 2dtx s ASN 56 Ca 0.24 -1.78 0.14 0.00 0.21 0.00 0.00 52.86 51.67 2dtx s ASN 56 Cb 0.19 -2.14 1.17 0.00 -0.55 0.00 0.00 41.25 39.93 2dtx s ASN 56 CO 0.52 -0.78 2.12 1.55 -2.79 0.00 0.00 177.10 177.72 2dtx h PRO 57 N 8.72 0.11 -0.32 0.43 0.13 -1.84 -0.97 132.00 138.27 2dtx h PRO 57 Ca -0.27 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.68 2dtx h PRO 57 Cb 1.09 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2dtx h PRO 57 CO 0.96 0.08 -0.48 -0.44 -0.23 0.00 0.00 178.00 177.90 2dtx h ASP 58 N 0.11 0.97 -0.24 1.44 3.45 -1.94 -0.32 116.42 119.90 2dtx h ASP 58 Ca 0.03 -0.51 -0.15 0.00 0.43 0.00 0.00 57.03 56.84 2dtx h ASP 58 Cb 0.00 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 2dtx h ASP 58 CO -0.01 1.29 -0.38 -0.61 -1.57 0.00 0.00 179.24 177.97 2dtx h GLN 59 N 0.68 0.77 -0.11 3.56 4.15 -1.78 -0.70 115.11 121.68 2dtx h GLN 59 Ca 0.03 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 2dtx h GLN 59 Cb 1.08 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 2dtx h GLN 59 CO 0.11 1.02 0.05 0.28 -1.93 0.00 0.00 178.83 178.36 2dtx h VAL 60 N 0.64 1.14 -0.06 2.39 2.07 -1.09 -0.58 116.25 120.75 2dtx h VAL 60 Ca 0.06 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2dtx h VAL 60 Cb 0.93 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2dtx h VAL 60 CO 0.09 0.13 -0.06 0.50 0.02 0.00 0.00 177.57 178.25 2dtx h LYS 61 N 0.03 -0.07 -0.81 1.57 3.64 -0.97 -1.57 116.57 118.38 2dtx h LYS 61 Ca 0.04 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2dtx h LYS 61 Cb 0.16 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2dtx h LYS 61 CO -0.00 -0.05 0.51 0.00 -2.27 0.00 0.00 179.45 177.64 2dtx h ALA 62 N 0.98 1.08 -0.48 5.00 0.00 -0.99 0.68 119.26 125.53 2dtx h ALA 62 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2dtx h ALA 62 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2dtx h ALA 62 CO -0.11 0.31 0.13 0.77 0.00 0.00 0.00 179.25 180.35 2dtx h SER 63 N 0.98 0.71 -0.41 0.00 0.02 -0.85 -0.91 113.55 113.09 2dtx h SER 63 Ca 0.33 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2dtx h SER 63 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2dtx h SER 63 CO -0.13 0.75 -0.23 0.40 -1.14 0.00 0.00 176.83 176.48 2dtx h ILE 64 N 0.64 1.28 -0.70 3.27 2.04 -0.93 -1.19 117.51 121.92 2dtx h ILE 64 Ca 0.15 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.66 2dtx h ILE 64 Cb 0.31 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2dtx h ILE 64 CO -0.00 0.46 0.45 0.44 0.00 0.00 0.00 178.15 179.50 2dtx h ASP 65 N 0.70 0.74 -0.53 1.72 3.32 -0.74 -1.35 116.42 120.28 2dtx h ASP 65 Ca 0.09 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2dtx h ASP 65 Cb 0.79 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2dtx h ASP 65 CO 0.07 0.52 0.27 -0.74 -1.72 0.00 0.00 179.24 177.63 2dtx h HIS 66 N 0.88 0.74 -0.54 4.55 2.76 -0.95 -1.85 115.15 120.75 2dtx h HIS 66 Ca 0.28 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2dtx h HIS 66 Cb -0.01 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2dtx h HIS 66 CO -0.04 0.57 0.29 0.82 -1.30 0.00 0.00 177.93 178.28 2dtx h ILE 67 N 0.70 1.18 -0.80 6.26 2.04 -0.71 -0.14 117.51 126.04 2dtx h ILE 67 Ca 0.18 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2dtx h ILE 67 Cb 0.09 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2dtx h ILE 67 CO -0.03 0.19 0.37 0.15 0.00 0.00 0.00 178.15 178.84 2dtx h PHE 68 N 0.72 1.16 -0.55 1.37 3.04 -1.04 0.75 116.94 122.40 2dtx h PHE 68 Ca 0.19 -0.06 -0.10 0.00 3.98 0.00 0.00 57.97 61.98 2dtx h PHE 68 Cb 0.05 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.18 2dtx h PHE 68 CO -0.01 0.85 -0.04 -0.22 -2.02 0.00 0.00 178.31 176.87 2dtx h LYS 69 N 1.13 0.99 -0.08 1.11 3.64 -1.00 0.21 116.57 122.58 2dtx h LYS 69 Ca 0.27 -0.34 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 2dtx h LYS 69 Cb 0.14 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2dtx h LYS 69 CO -0.03 1.01 -0.81 1.49 -2.27 0.00 0.00 179.45 178.84 2dtx h GLU 70 N 0.87 0.69 0.00 1.90 4.81 -0.74 -3.37 114.58 118.75 2dtx h GLU 70 Ca 0.15 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2dtx h GLU 70 Cb 0.59 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2dtx h GLU 70 CO 0.04 1.24 -1.89 0.66 -0.73 0.00 0.00 179.01 178.33 2dtx n TYR 71 N -3.98 0.01 -0.06 0.92 4.01 0.23 -5.01 117.16 113.28 2dtx n TYR 71 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2dtx n TYR 71 Cb 0.77 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2dtx n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dtx n GLY 72 N 1.28 1.43 3.70 2.72 0.00 0.74 -4.99 105.19 110.08 2dtx n GLY 72 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2dtx n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dtx s SER 73 N -3.01 -0.13 -0.13 1.61 1.04 -1.25 -5.00 113.70 106.83 2dtx s SER 73 Ca 0.00 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 2dtx s SER 73 Cb 0.00 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2dtx s SER 73 CO 0.00 -0.68 0.17 -0.63 0.98 0.00 0.00 173.24 173.08 2dtx s ILE 74 N -2.97 -0.26 -0.18 -1.02 1.01 -1.26 -4.67 121.20 111.84 2dtx s ILE 74 Ca 0.13 0.17 0.12 0.00 0.00 0.00 0.00 60.65 61.07 2dtx s ILE 74 Cb 0.01 -0.43 -0.20 0.00 0.01 0.00 0.00 42.46 41.85 2dtx s ILE 74 CO -0.00 0.01 0.00 -1.20 0.00 0.00 0.00 174.94 173.75 2dtx n SER 75 N 5.32 1.06 -3.93 3.58 7.64 -0.45 -4.00 113.62 122.83 2dtx n SER 75 Ca -0.05 -0.03 -0.16 0.00 1.01 0.00 0.00 58.87 59.64 2dtx n SER 75 Cb 0.50 0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 64.18 2dtx n SER 75 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dtx s VAL 76 N -2.43 0.38 -0.11 0.44 1.01 -0.85 -1.14 120.40 117.70 2dtx s VAL 76 Ca -0.14 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2dtx s VAL 76 Cb 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 36.11 2dtx s VAL 76 CO 0.67 0.12 -0.14 -0.22 0.00 0.00 0.00 175.10 175.53 2dtx s LEU 77 N 0.11 1.67 -0.30 3.92 2.96 -0.84 -1.08 118.68 125.11 2dtx s LEU 77 Ca -0.01 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 2dtx s LEU 77 Cb -0.04 -1.05 0.04 0.00 0.50 0.00 0.00 46.19 45.63 2dtx s LEU 77 CO -0.00 0.00 0.02 -0.69 -1.32 0.00 0.00 176.35 174.36 2dtx s VAL 78 N 1.05 3.28 -0.30 1.68 1.01 0.62 -1.01 120.40 126.73 2dtx s VAL 78 Ca -0.06 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.55 2dtx s VAL 78 Cb -0.15 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2dtx s VAL 78 CO -0.02 -0.03 0.74 0.20 0.00 0.00 0.00 175.10 175.98 2dtx s ASN 79 N 1.34 6.62 0.00 3.32 0.01 -0.35 -1.40 114.94 124.48 2dtx s ASN 79 Ca -0.02 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.76 2dtx s ASN 79 Cb -0.19 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2dtx s ASN 79 CO -0.00 -0.55 0.00 -3.20 -1.51 0.00 0.00 177.10 171.83 2dtx n ASN 80 N 6.07 1.23 -4.62 -1.22 5.15 -1.24 -0.74 115.26 119.88 2dtx n ASN 80 Ca 0.02 0.00 -0.53 0.00 -0.60 0.00 0.00 54.58 53.47 2dtx n ASN 80 Cb 0.48 0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 39.79 2dtx n ASN 80 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dtx n ALA 81 N -0.91 -0.83 -3.69 5.20 0.00 -1.09 -4.88 120.51 114.31 2dtx n ALA 81 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 2dtx n ALA 81 Cb 0.12 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 2dtx n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2dtx s GLY 82 N 1.20 -0.29 0.16 0.00 0.00 -1.26 -4.57 107.32 102.56 2dtx s GLY 82 Ca 0.88 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.83 2dtx s GLY 82 CO 0.51 0.06 0.09 -0.26 0.00 0.00 0.00 173.10 173.51 2dtx s ILE 83 N -3.44 0.07 -0.20 0.90 -4.36 -1.26 -5.03 121.20 107.88 2dtx s ILE 83 Ca 0.09 -1.91 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 2dtx s ILE 83 Cb -0.02 -2.19 0.06 0.00 1.25 0.00 0.00 42.46 41.56 2dtx s ILE 83 CO -0.01 -0.30 0.49 -0.70 0.24 0.00 0.00 174.94 174.66 2dtx s GLU 84 N -4.08 0.49 0.11 0.37 2.12 -1.26 -4.93 118.70 111.52 2dtx s GLU 84 Ca 0.29 0.89 0.04 0.00 0.36 0.00 0.00 54.97 56.54 2dtx s GLU 84 Cb 0.07 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 2dtx s GLU 84 CO 0.05 -0.15 -0.10 0.45 -0.54 0.00 0.00 175.26 174.98 2dtx s SER 85 N 1.33 1.48 0.21 -1.70 0.15 -1.26 -5.13 113.70 108.79 2dtx s SER 85 Ca -0.09 -0.88 0.08 0.00 0.70 0.00 0.00 55.95 55.76 2dtx s SER 85 Cb -0.07 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2dtx s SER 85 CO -0.13 -0.31 0.01 -0.31 1.20 0.00 0.00 173.24 173.71 2dtx s TYR 86 N -2.81 2.81 0.00 3.44 2.02 -1.26 -4.82 117.35 116.72 2dtx s TYR 86 Ca 0.09 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2dtx s TYR 86 Cb -0.00 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 2dtx s TYR 86 CO -0.01 0.55 0.00 0.41 -1.57 0.00 0.00 175.55 174.94 2dtx n GLY 87 N -0.49 4.02 3.78 0.71 0.00 0.08 -4.85 105.19 108.43 2dtx n GLY 87 Ca -0.08 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 2dtx n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dtx s LYS 88 N -2.37 3.11 0.61 1.61 2.47 -1.26 -4.24 119.74 119.66 2dtx s LYS 88 Ca 0.00 1.39 0.29 0.00 -1.56 0.00 0.00 55.97 56.10 2dtx s LYS 88 Cb 0.00 -1.99 1.60 0.00 -1.46 0.00 0.00 37.83 35.98 2dtx s LYS 88 CO 0.00 -1.00 1.99 0.97 0.16 0.00 0.00 175.35 177.46 2dtx h ILE 89 N 0.49 0.31 0.00 5.43 2.10 -1.96 0.55 117.51 124.43 2dtx h ILE 89 Ca -0.48 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.40 2dtx h ILE 89 Cb 1.24 0.72 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 2dtx h ILE 89 CO 0.56 0.00 -0.83 -0.33 -1.08 0.00 0.00 178.15 176.47 2dtx h GLU 90 N 0.00 0.00 0.03 2.19 4.39 -2.01 -3.39 114.58 115.79 2dtx h GLU 90 Ca 0.12 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.44 2dtx h GLU 90 Cb 0.79 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.39 2dtx h GLU 90 CO -0.00 0.16 -2.23 -1.13 -1.16 0.00 0.00 179.01 174.65 2dtx n SER 91 N -2.91 2.00 -4.75 1.42 3.41 0.06 -4.93 113.62 107.92 2dtx n SER 91 Ca -0.01 0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 2dtx n SER 91 Cb 0.65 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 2dtx n SER 91 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2dtx s MET 92 N -2.51 4.27 0.71 4.33 -2.45 -0.45 -4.95 119.30 118.24 2dtx s MET 92 Ca -0.32 2.30 -0.14 0.00 -1.25 0.00 0.00 55.69 56.28 2dtx s MET 92 Cb 0.09 -3.10 0.03 0.00 1.25 0.00 0.00 34.83 33.10 2dtx s MET 92 CO 0.62 -0.40 1.15 -1.54 1.05 0.00 0.00 175.02 175.90 2dtx s SER 93 N 0.24 4.59 0.34 1.11 1.04 -1.26 -4.86 113.70 114.90 2dtx s SER 93 Ca 0.58 2.14 0.05 0.00 0.48 0.00 0.00 55.95 59.20 2dtx s SER 93 Cb -0.42 -2.57 0.63 0.00 0.10 0.00 0.00 66.02 63.77 2dtx s SER 93 CO 0.45 -1.99 1.89 0.24 0.98 0.00 0.00 173.24 174.82 2dtx h MET 94 N -0.26 0.52 -0.60 4.02 0.00 -1.94 -2.13 114.93 114.54 2dtx h MET 94 Ca -0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 59.70 59.10 2dtx h MET 94 Cb 1.27 -0.08 -0.03 0.00 0.00 0.00 0.00 31.60 32.76 2dtx h MET 94 CO 0.51 0.53 0.24 0.78 0.00 0.00 0.00 176.91 178.97 2dtx h GLY 95 N 0.80 0.97 1.40 8.32 0.00 -1.99 -0.93 103.07 111.64 2dtx h GLY 95 Ca 0.11 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 2dtx h GLY 95 CO 0.01 0.50 -0.48 -2.09 0.00 0.00 0.00 176.54 174.47 2dtx h GLU 96 N 0.84 0.64 -0.17 4.80 4.57 -1.86 0.26 114.58 123.66 2dtx h GLU 96 Ca 0.20 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 2dtx h GLU 96 Cb 0.21 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2dtx h GLU 96 CO -0.02 0.98 0.08 2.35 -1.18 0.00 0.00 179.01 181.23 2dtx h TRP 97 N 0.51 0.25 -0.64 0.92 7.01 -1.23 -1.79 115.95 120.98 2dtx h TRP 97 Ca 0.03 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 2dtx h TRP 97 Cb 1.03 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.98 2dtx h TRP 97 CO 0.05 0.27 0.16 -0.09 -2.79 0.00 0.00 178.44 176.04 2dtx h ARG 98 N 0.15 0.99 -0.92 2.65 2.43 -1.07 -2.63 114.38 115.98 2dtx h ARG 98 Ca 0.06 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2dtx h ARG 98 Cb 0.12 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 2dtx h ARG 98 CO -0.01 0.87 0.60 -0.09 -1.51 0.00 0.00 179.97 179.84 2dtx h ARG 99 N 0.95 1.23 -0.70 0.20 2.43 -0.56 0.16 114.38 118.09 2dtx h ARG 99 Ca 0.20 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2dtx h ARG 99 Cb 0.32 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2dtx h ARG 99 CO -0.00 0.82 0.21 0.82 -1.51 0.00 0.00 179.97 180.31 2dtx h ILE 100 N 1.26 1.26 -0.51 1.20 2.04 -0.99 -1.38 117.51 120.40 2dtx h ILE 100 Ca 0.34 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 2dtx h ILE 100 Cb -0.12 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2dtx h ILE 100 CO -0.07 0.35 -0.06 0.40 0.00 0.00 0.00 178.15 178.78 2dtx h ILE 101 N 1.04 1.26 -0.21 -0.67 1.08 -1.10 -0.93 117.51 117.98 2dtx h ILE 101 Ca 0.22 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 2dtx h ILE 101 Cb 0.32 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2dtx h ILE 101 CO -0.00 0.40 0.13 0.44 -0.69 0.00 0.00 178.15 178.43 2dtx h ASP 102 N 0.81 0.24 0.17 1.72 3.45 -0.07 0.23 116.42 122.98 2dtx h ASP 102 Ca 0.14 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 2dtx h ASP 102 Cb 0.56 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 2dtx h ASP 102 CO 0.03 0.19 -0.08 0.58 -1.57 0.00 0.00 179.24 178.39 2dtx h VAL 103 N 0.27 0.83 -0.02 -1.35 2.07 -1.22 -1.04 116.25 115.79 2dtx h VAL 103 Ca 0.08 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 2dtx h VAL 103 Cb -0.02 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2dtx h VAL 103 CO -0.02 0.21 -0.42 0.78 0.02 0.00 0.00 177.57 178.15 2dtx h ASN 104 N -0.86 0.05 0.00 0.57 4.21 -1.20 -2.95 115.58 115.40 2dtx h ASN 104 Ca -0.02 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.38 2dtx h ASN 104 Cb 0.52 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 2dtx h ASN 104 CO 0.04 0.46 -0.99 -0.11 -1.29 0.00 0.00 177.43 175.54 2dtx n LEU 105 N -4.04 1.20 0.13 1.61 7.94 0.01 -4.53 117.00 119.32 2dtx n LEU 105 Ca -0.02 0.19 0.04 0.00 -1.11 0.00 0.00 56.01 55.11 2dtx n LEU 105 Cb 0.45 -0.44 0.46 0.00 0.53 0.00 0.00 43.42 44.41 2dtx n LEU 105 CO 0.40 -0.19 0.99 -0.26 -1.11 0.00 0.00 177.39 177.21 2dtx h PHE 106 N -0.44 0.24 -0.93 1.96 0.04 -1.04 -1.29 116.94 115.49 2dtx h PHE 106 Ca -0.14 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 2dtx h PHE 106 Cb 0.81 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.84 2dtx h PHE 106 CO -0.12 0.27 0.57 0.78 -0.60 0.00 0.00 178.31 179.21 2dtx h GLY 107 N 0.53 1.34 1.15 -1.45 0.00 -1.01 0.11 103.07 103.74 2dtx h GLY 107 Ca 0.06 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 2dtx h GLY 107 CO 0.01 0.53 -0.31 -0.97 0.00 0.00 0.00 176.54 175.79 2dtx h TYR 108 N 1.27 1.11 -0.17 5.60 -1.99 -1.48 -2.01 116.97 119.31 2dtx h TYR 108 Ca 0.33 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 2dtx h TYR 108 Cb -0.07 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.40 2dtx h TYR 108 CO 0.00 1.13 0.07 -0.92 -0.00 0.00 0.00 178.16 178.44 2dtx h TYR 109 N 0.79 0.25 -0.06 4.88 5.03 -0.72 -1.63 116.97 125.51 2dtx h TYR 109 Ca 0.08 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 2dtx h TYR 109 Cb 0.90 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.10 2dtx h TYR 109 CO 0.06 0.30 0.02 1.88 -1.32 0.00 0.00 178.16 179.09 2dtx h TYR 110 N 0.13 0.11 -0.64 -3.82 0.05 -0.75 0.74 116.97 112.80 2dtx h TYR 110 Ca 0.06 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2dtx h TYR 110 Cb 0.15 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 2dtx h TYR 110 CO -0.02 0.28 0.42 0.00 -1.05 0.00 0.00 178.16 177.79 2dtx h ALA 111 N 0.81 0.81 -0.35 3.88 0.00 -1.39 -1.83 119.26 121.18 2dtx h ALA 111 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2dtx h ALA 111 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2dtx h ALA 111 CO -0.00 0.24 0.07 0.77 0.00 0.00 0.00 179.25 180.34 2dtx h SER 112 N 0.86 0.54 -0.92 0.00 0.02 -1.18 -1.02 113.55 111.85 2dtx h SER 112 Ca 0.23 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2dtx h SER 112 Cb -0.09 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.26 2dtx h SER 112 CO -0.05 0.64 0.60 0.50 -1.14 0.00 0.00 176.83 177.38 2dtx h LYS 113 N 0.41 1.15 0.00 3.45 3.64 -0.56 -0.97 116.57 123.69 2dtx h LYS 113 Ca 0.11 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2dtx h LYS 113 Cb 0.32 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2dtx h LYS 113 CO 0.00 0.76 -0.94 0.74 -2.27 0.00 0.00 179.45 177.74 2dtx h PHE 114 N 1.18 0.00 0.12 1.91 -1.00 -1.29 -3.36 116.94 114.50 2dtx h PHE 114 Ca 0.36 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.85 2dtx h PHE 114 Cb -0.04 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 2dtx h PHE 114 CO -0.01 0.44 -1.39 0.00 -1.61 0.00 0.00 178.31 175.74 2dtx h ALA 115 N 1.56 0.20 -0.56 2.45 0.00 -0.94 -3.39 119.26 118.58 2dtx h ALA 115 Ca -0.07 -1.01 0.11 0.00 0.00 0.00 0.00 54.91 53.94 2dtx h ALA 115 Cb 1.40 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 2dtx h ALA 115 CO 0.04 1.07 -0.07 0.82 0.00 0.00 0.00 179.25 181.12 2dtx h ILE 116 N 0.07 0.50 -0.93 0.00 2.04 -1.33 -0.17 117.51 117.69 2dtx h ILE 116 Ca -0.19 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.80 2dtx h ILE 116 Cb 1.99 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 2dtx h ILE 116 CO 0.18 0.01 0.59 -0.65 0.00 0.00 0.00 178.15 178.28 2dtx h PRO 117 N 0.06 0.74 0.01 2.37 0.11 -1.78 -1.06 132.00 132.45 2dtx h PRO 117 Ca 0.28 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.10 2dtx h PRO 117 Cb 0.43 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 31.40 2dtx h PRO 117 CO -0.52 0.49 -0.96 1.88 -0.21 0.00 0.00 178.00 178.68 2dtx h TYR 118 N 0.76 0.95 -0.91 0.65 -1.99 -1.53 -3.32 116.97 111.58 2dtx h TYR 118 Ca 0.48 -0.52 0.01 0.00 2.00 0.00 0.00 58.73 60.70 2dtx h TYR 118 Cb 0.70 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 39.28 2dtx h TYR 118 CO -0.00 1.36 0.60 0.52 -0.00 0.00 0.00 178.16 180.64 2dtx h MET 119 N 0.27 1.18 0.00 4.88 2.86 0.09 -1.34 114.93 122.87 2dtx h MET 119 Ca -0.12 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2dtx h MET 119 Cb 1.63 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2dtx h MET 119 CO 0.19 0.78 0.00 0.44 1.06 0.00 0.00 176.91 179.38 2dtx n ILE 120 N -4.41 0.61 1.29 -1.22 -5.35 -0.51 -1.00 119.36 108.77 2dtx n ILE 120 Ca 0.11 0.15 0.13 0.00 -0.27 0.00 0.00 62.75 62.87 2dtx n ILE 120 Cb 0.04 -0.91 0.45 0.00 -1.74 0.00 0.00 39.64 37.48 2dtx n ILE 120 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2dtx n ARG 121 N -1.30 0.77 -3.72 6.28 1.74 -0.51 -4.86 116.66 115.07 2dtx n ARG 121 Ca 0.07 -0.40 -0.21 0.00 -0.77 0.00 0.00 57.85 56.53 2dtx n ARG 121 Cb 0.12 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 2dtx n ARG 121 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dtx s SER 122 N -2.51 5.12 -0.10 0.55 0.01 -0.17 -5.08 113.70 111.53 2dtx s SER 122 Ca 0.25 -0.64 -0.25 0.00 1.31 0.00 0.00 55.95 56.63 2dtx s SER 122 Cb 0.19 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 2dtx s SER 122 CO 0.51 -0.49 0.77 -0.13 0.41 0.00 0.00 173.24 174.31 2dtx s ARG 123 N -4.05 4.39 -1.22 12.44 1.81 -1.26 -4.43 118.95 126.63 2dtx s ARG 123 Ca 0.44 0.96 -0.26 0.00 -1.72 0.00 0.00 55.73 55.15 2dtx s ARG 123 Cb -0.04 -3.50 0.02 0.00 -0.45 0.00 0.00 34.95 30.98 2dtx s ARG 123 CO 0.27 -0.10 0.66 -0.25 -0.68 0.00 0.00 175.30 175.20 2dtx n ASP 124 N 4.36 -3.99 -4.77 0.23 8.00 -1.26 -4.96 116.55 114.15 2dtx n ASP 124 Ca 0.01 -1.19 -0.31 0.00 0.71 0.00 0.00 54.79 54.02 2dtx n ASP 124 Cb 0.50 -2.33 0.09 0.00 -0.02 0.00 0.00 41.12 39.36 2dtx n ASP 124 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2dtx s PRO 125 N -6.89 2.18 -0.03 -0.24 0.04 -1.25 -4.93 135.00 123.87 2dtx s PRO 125 Ca 0.43 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 2dtx s PRO 125 Cb -0.20 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2dtx s PRO 125 CO 0.93 -1.65 0.39 -1.54 0.04 0.00 0.00 177.00 175.18 2dtx s SER 126 N -3.54 -0.30 -0.05 6.66 1.04 -0.29 -2.38 113.70 114.83 2dtx s SER 126 Ca 0.61 0.26 0.06 0.00 0.48 0.00 0.00 55.95 57.36 2dtx s SER 126 Cb -0.16 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 2dtx s SER 126 CO 0.56 -0.46 -0.24 -0.63 0.98 0.00 0.00 173.24 173.45 2dtx s ILE 127 N -1.21 1.96 -0.13 -1.02 1.01 -0.22 -2.00 121.20 119.59 2dtx s ILE 127 Ca -0.12 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.52 2dtx s ILE 127 Cb -0.04 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2dtx s ILE 127 CO 0.05 0.55 -0.17 -0.69 0.00 0.00 0.00 174.94 174.68 2dtx s VAL 128 N -0.15 1.73 -0.17 2.92 1.01 -0.18 -1.63 120.40 123.93 2dtx s VAL 128 Ca -0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 2dtx s VAL 128 Cb -0.13 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2dtx s VAL 128 CO 0.03 0.49 0.03 0.20 0.00 0.00 0.00 175.10 175.85 2dtx s ASN 129 N 1.10 5.38 -0.38 3.32 0.01 0.46 -1.21 114.94 123.62 2dtx s ASN 129 Ca -0.03 0.03 -0.23 0.00 -0.71 0.00 0.00 52.86 51.92 2dtx s ASN 129 Cb -0.14 -1.89 0.01 0.00 0.41 0.00 0.00 41.25 39.63 2dtx s ASN 129 CO -0.05 0.18 0.77 -0.63 -1.51 0.00 0.00 177.10 175.86 2dtx s ILE 130 N 0.29 4.73 0.00 0.60 -1.09 0.08 -0.90 121.20 124.92 2dtx s ILE 130 Ca 0.01 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 2dtx s ILE 130 Cb -0.13 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.54 2dtx s ILE 130 CO 0.01 -0.48 0.00 -0.24 -1.23 0.00 0.00 174.94 173.00 2dtx n SER 131 N 6.43 0.00 -3.55 3.58 2.88 0.78 -4.87 113.62 118.87 2dtx n SER 131 Ca 0.02 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.49 2dtx n SER 131 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 2dtx n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dtx s SER 132 N -0.85 -0.28 0.62 -3.46 0.15 -1.25 -4.55 113.70 104.08 2dtx s SER 132 Ca 0.00 0.06 0.41 0.00 0.70 0.00 0.00 55.95 57.12 2dtx s SER 132 Cb 0.00 0.28 2.13 0.00 -1.71 0.00 0.00 66.02 66.71 2dtx s SER 132 CO 0.00 -0.43 2.25 1.62 1.20 0.00 0.00 173.24 177.88 2dtx h VAL 133 N 2.08 0.00 0.00 4.45 3.04 -0.91 -1.19 116.25 123.72 2dtx h VAL 133 Ca -0.17 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2dtx h VAL 133 Cb 1.20 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2dtx h VAL 133 CO 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.84 2dtx n GLN 134 N -3.04 0.75 0.04 4.17 6.02 -1.23 -1.17 117.38 122.92 2dtx n GLN 134 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.10 2dtx n GLN 134 Cb 0.13 -1.08 0.53 0.00 1.02 0.00 0.00 30.24 30.84 2dtx n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dtx n ALA 135 N -0.58 2.28 0.01 -1.58 0.00 -0.45 -4.53 120.51 115.66 2dtx n ALA 135 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2dtx n ALA 135 Cb 0.01 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2dtx n ALA 135 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dtx n SER 136 N -1.79 0.23 -4.61 0.00 7.64 -0.32 -4.86 113.62 109.92 2dtx n SER 136 Ca 0.06 0.04 -0.34 0.00 1.01 0.00 0.00 58.87 59.64 2dtx n SER 136 Cb 0.36 -0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.40 2dtx n SER 136 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2dtx s ILE 137 N -1.23 4.46 0.37 0.44 -4.36 -0.90 -5.10 121.20 114.88 2dtx s ILE 137 Ca 0.00 -0.16 0.08 0.00 -0.26 0.00 0.00 60.65 60.32 2dtx s ILE 137 Cb 0.00 -2.97 -0.06 0.00 1.25 0.00 0.00 42.46 40.68 2dtx s ILE 137 CO 0.00 0.50 0.02 0.27 0.24 0.00 0.00 174.94 175.97 2dtx s ILE 138 N 0.14 2.39 0.30 8.37 -4.36 -1.26 -3.56 121.20 123.21 2dtx s ILE 138 Ca 0.03 -1.97 0.07 0.00 -0.26 0.00 0.00 60.65 58.52 2dtx s ILE 138 Cb -0.13 -2.84 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 2dtx s ILE 138 CO 0.01 -0.13 0.26 0.42 0.24 0.00 0.00 174.94 175.74 2dtx s THR 139 N -2.58 3.93 0.46 8.37 -4.23 -1.26 -5.11 115.64 115.22 2dtx s THR 139 Ca 0.35 -1.37 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 2dtx s THR 139 Cb 0.03 -3.28 -0.07 0.00 1.34 0.00 0.00 72.50 70.51 2dtx s THR 139 CO 0.19 -0.25 0.88 -0.75 -0.54 0.00 0.00 174.62 174.16 2dtx s LYS 140 N -3.94 3.89 -1.47 3.99 2.20 -1.26 -4.06 119.74 119.10 2dtx s LYS 140 Ca 0.38 0.75 -0.08 0.00 -0.36 0.00 0.00 55.97 56.66 2dtx s LYS 140 Cb -0.07 -2.26 0.03 0.00 -1.51 0.00 0.00 37.83 34.03 2dtx s LYS 140 CO 0.26 -0.15 0.75 0.09 -0.36 0.00 0.00 175.35 175.95 2dtx n ASN 141 N -1.37 -5.57 -1.97 1.43 3.02 -1.26 -4.88 115.26 104.66 2dtx n ASN 141 Ca 0.05 -0.42 -0.02 0.00 -0.03 0.00 0.00 54.58 54.16 2dtx n ASN 141 Cb 0.54 -4.48 0.06 0.00 -0.61 0.00 0.00 39.78 35.29 2dtx n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dtx n ALA 142 N -4.00 3.05 -0.24 5.41 0.00 -1.26 -0.74 120.51 122.73 2dtx n ALA 142 Ca -0.05 -2.86 -0.11 0.00 0.00 0.00 0.00 53.44 50.42 2dtx n ALA 142 Cb 0.58 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 2dtx n ALA 142 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dtx h SER 143 N 1.80 -1.78 -0.58 0.00 0.87 -1.87 0.19 113.55 112.17 2dtx h SER 143 Ca -0.07 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2dtx h SER 143 Cb 1.48 0.76 -0.03 0.00 -0.44 0.00 0.00 62.40 64.18 2dtx h SER 143 CO 0.22 -0.29 0.25 0.00 -0.53 0.00 0.00 176.83 176.49 2dtx h ALA 144 N 0.06 0.75 0.02 6.23 0.00 -1.90 -0.36 119.26 124.05 2dtx h ALA 144 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dtx h ALA 144 Cb 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2dtx h ALA 144 CO -0.67 0.34 -0.01 -0.92 0.00 0.00 0.00 179.25 177.99 2dtx h TYR 145 N 0.79 -0.02 -0.66 0.00 3.20 -1.74 -0.05 116.97 118.48 2dtx h TYR 145 Ca 0.20 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2dtx h TYR 145 Cb 0.17 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2dtx h TYR 145 CO 0.00 0.14 0.44 0.28 -1.64 0.00 0.00 178.16 177.38 2dtx h VAL 146 N -0.17 1.17 -0.44 1.81 2.07 -0.53 -1.28 116.25 118.88 2dtx h VAL 146 Ca -0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2dtx h VAL 146 Cb 0.17 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2dtx h VAL 146 CO 0.00 0.16 0.26 0.74 0.02 0.00 0.00 177.57 178.75 2dtx h THR 147 N 0.90 1.14 -0.44 2.57 2.02 -0.89 -2.19 112.91 116.03 2dtx h THR 147 Ca 0.24 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2dtx h THR 147 Cb -0.10 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2dtx h THR 147 CO -0.05 0.15 0.13 0.77 0.37 0.00 0.00 175.52 176.88 2dtx h SER 148 N 0.58 0.60 0.52 4.18 4.64 -0.48 -1.23 113.55 122.35 2dtx h SER 148 Ca 0.16 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 2dtx h SER 148 Cb 0.02 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2dtx h SER 148 CO -0.03 0.58 -0.70 0.11 -0.87 0.00 0.00 176.83 175.93 2dtx h LYS 149 N 0.64 0.15 -0.40 4.77 1.79 -0.88 -1.06 116.57 121.58 2dtx h LYS 149 Ca 0.15 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 2dtx h LYS 149 Cb 0.21 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2dtx h LYS 149 CO -0.01 0.79 -0.12 0.45 -1.08 0.00 0.00 179.45 179.48 2dtx h HIS 150 N 0.10 0.90 -0.90 -1.35 3.86 -1.15 -2.98 115.15 113.62 2dtx h HIS 150 Ca -0.02 -0.20 0.03 0.00 -1.16 0.00 0.00 60.37 59.02 2dtx h HIS 150 Cb 1.24 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 29.44 2dtx h HIS 150 CO 0.02 0.93 0.58 0.00 0.86 0.00 0.00 177.93 180.32 2dtx h ALA 151 N 0.84 1.18 -0.92 2.45 0.00 -0.89 -1.76 119.26 120.16 2dtx h ALA 151 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2dtx h ALA 151 Cb 0.65 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2dtx h ALA 151 CO 0.04 0.45 0.60 0.28 0.00 0.00 0.00 179.25 180.63 2dtx h VAL 152 N 1.14 1.10 -0.71 0.00 2.07 -1.07 -0.34 116.25 118.44 2dtx h VAL 152 Ca 0.35 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2dtx h VAL 152 Cb -0.01 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.64 2dtx h VAL 152 CO -0.11 0.20 0.29 0.40 0.02 0.00 0.00 177.57 178.37 2dtx h ILE 153 N 1.09 1.25 -0.61 4.57 1.08 -1.19 -0.24 117.51 123.46 2dtx h ILE 153 Ca 0.38 -0.76 -0.05 0.00 -0.39 0.00 0.00 64.86 64.04 2dtx h ILE 153 Cb 0.12 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 2dtx h ILE 153 CO -0.13 0.31 0.18 1.23 -0.69 0.00 0.00 178.15 179.05 2dtx h GLY 154 N 1.02 1.02 1.04 5.37 0.00 -0.91 -1.26 103.07 109.35 2dtx h GLY 154 Ca 0.24 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2dtx h GLY 154 CO -0.02 0.57 0.37 -2.00 0.00 0.00 0.00 176.54 175.46 2dtx h LEU 155 N 0.87 1.10 -0.15 3.11 5.85 -0.85 -1.50 115.31 123.75 2dtx h LEU 155 Ca 0.20 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2dtx h LEU 155 Cb 0.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2dtx h LEU 155 CO -0.00 0.95 0.09 0.74 -0.34 0.00 0.00 178.44 179.87 2dtx h THR 156 N 1.18 1.08 -0.79 1.05 2.02 -0.68 -0.79 112.91 115.98 2dtx h THR 156 Ca 0.28 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2dtx h THR 156 Cb 0.16 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2dtx h THR 156 CO -0.03 0.07 0.42 0.11 0.37 0.00 0.00 175.52 176.46 2dtx h LYS 157 N 0.15 1.12 -0.12 6.66 1.57 -1.01 -1.45 116.57 123.50 2dtx h LYS 157 Ca 0.05 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2dtx h LYS 157 Cb 0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2dtx h LYS 157 CO -0.01 0.84 0.06 0.77 -0.57 0.00 0.00 179.45 180.54 2dtx h SER 158 N 1.11 0.16 -0.70 0.86 0.02 -1.00 -0.51 113.55 113.49 2dtx h SER 158 Ca 0.28 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2dtx h SER 158 Cb 0.06 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2dtx h SER 158 CO -0.04 0.24 0.32 0.40 -1.14 0.00 0.00 176.83 176.61 2dtx h ILE 159 N 0.07 1.24 -0.31 3.27 2.04 -1.02 0.30 117.51 123.09 2dtx h ILE 159 Ca 0.04 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2dtx h ILE 159 Cb 0.12 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2dtx h ILE 159 CO -0.01 0.28 0.19 0.00 0.00 0.00 0.00 178.15 178.61 2dtx h ALA 160 N 1.15 0.39 -0.29 1.87 0.00 -0.95 -1.62 119.26 119.81 2dtx h ALA 160 Ca 0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 2dtx h ALA 160 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dtx h ALA 160 CO -0.03 -0.17 -0.51 1.25 0.00 0.00 0.00 179.25 179.79 2dtx h LEU 161 N 0.39 0.91 -1.01 0.00 5.85 -0.85 -2.07 115.31 118.53 2dtx h LEU 161 Ca 0.12 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.27 2dtx h LEU 161 Cb -0.02 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2dtx h LEU 161 CO -0.04 1.25 -0.37 0.44 -0.34 0.00 0.00 178.44 179.38 2dtx h ASP 162 N 0.64 0.25 -0.04 1.25 5.19 -0.77 -3.31 116.42 119.64 2dtx h ASP 162 Ca 0.02 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2dtx h ASP 162 Cb 1.10 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2dtx h ASP 162 CO 0.11 0.60 0.00 -1.22 -3.12 0.00 0.00 179.24 175.61 2dtx n TYR 163 N -4.06 0.03 -2.04 4.55 4.02 -0.63 -5.00 117.16 114.03 2dtx n TYR 163 Ca -0.01 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.90 57.48 2dtx n TYR 163 Cb 0.45 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.79 2dtx n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dtx s ALA 164 N -0.90 2.73 -2.49 -0.72 0.00 -0.78 -1.92 121.76 117.68 2dtx s ALA 164 Ca 0.13 1.05 0.23 0.00 0.00 0.00 0.00 51.96 53.38 2dtx s ALA 164 Cb 0.09 -3.46 0.62 0.00 0.00 0.00 0.00 23.12 20.38 2dtx s ALA 164 CO 0.14 -1.06 1.49 -0.35 0.00 0.00 0.00 175.76 175.98 2dtx n PRO 165 N -1.16 2.03 -0.11 0.00 -0.04 -1.26 -4.89 135.00 129.58 2dtx n PRO 165 Ca 0.11 -1.54 -0.12 0.00 -0.04 0.00 0.00 63.50 61.91 2dtx n PRO 165 Cb 0.48 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2dtx n PRO 165 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dtx h LEU 166 N 3.27 0.65 -8.29 1.53 3.38 -1.80 -3.44 115.31 110.61 2dtx h LEU 166 Ca 0.00 -0.39 -0.54 0.00 0.09 0.00 0.00 57.88 57.04 2dtx h LEU 166 Cb 0.71 -0.18 -0.29 0.00 0.09 0.00 0.00 40.66 40.99 2dtx h LEU 166 CO 0.00 0.90 -0.83 -0.22 0.09 0.00 0.00 178.44 178.38 2dtx s LEU 167 N -9.22 2.02 0.12 1.67 0.20 -0.96 -3.84 118.68 108.67 2dtx s LEU 167 Ca -0.13 -0.31 0.04 0.00 0.69 0.00 0.00 54.13 54.43 2dtx s LEU 167 Cb 0.09 -0.87 -0.04 0.00 -0.43 0.00 0.00 46.19 44.93 2dtx s LEU 167 CO 0.80 0.20 0.10 -0.13 -0.29 0.00 0.00 176.35 177.03 2dtx s ARG 168 N -0.36 2.85 -0.08 1.98 0.52 -1.00 -3.71 118.95 119.15 2dtx s ARG 168 Ca 0.06 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.44 2dtx s ARG 168 Cb -0.07 -2.67 0.04 0.00 0.52 0.00 0.00 34.95 32.78 2dtx s ARG 168 CO -0.00 0.53 0.17 0.00 0.02 0.00 0.00 175.30 176.01 2dtx s ASN 170 N 1.71 0.42 0.23 0.00 0.01 -0.65 -0.11 114.94 116.55 2dtx s ASN 170 Ca -0.04 -1.33 0.09 0.00 -0.71 0.00 0.00 52.86 50.87 2dtx s ASN 170 Cb -0.12 0.31 -0.05 0.00 0.41 0.00 0.00 41.25 41.80 2dtx s ASN 170 CO -0.06 -0.78 -0.16 0.00 -1.51 0.00 0.00 177.10 174.58 2dtx s ALA 171 N -4.04 2.26 -0.07 0.60 0.00 0.14 -0.41 121.76 120.25 2dtx s ALA 171 Ca 0.35 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 50.62 2dtx s ALA 171 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2dtx s ALA 171 CO 0.09 0.14 -0.23 0.08 0.00 0.00 0.00 175.76 175.85 2dtx s VAL 172 N -2.80 2.26 -0.69 0.00 1.01 -0.08 -1.03 120.40 119.08 2dtx s VAL 172 Ca 0.25 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2dtx s VAL 172 Cb -0.02 -1.85 0.17 0.00 0.00 0.00 0.00 36.38 34.68 2dtx s VAL 172 CO 0.10 0.57 0.50 0.00 0.00 0.00 0.00 175.10 176.26 2dtx s PRO 174 N -0.84 4.11 0.00 0.00 0.04 -1.26 -1.55 135.00 135.50 2dtx s PRO 174 Ca 0.22 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2dtx s PRO 174 Cb -0.14 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2dtx s PRO 174 CO -0.09 0.09 0.00 0.00 0.04 0.00 0.00 177.00 177.04 2dtx n ALA 175 N -0.44 0.00 -2.60 8.56 0.00 -0.72 -0.51 120.51 124.80 2dtx n ALA 175 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2dtx n ALA 175 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 2dtx n ALA 175 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dtx s THR 176 N 2.55 4.59 0.07 0.00 2.01 -1.26 -4.85 115.64 118.74 2dtx s THR 176 Ca 0.00 1.90 0.10 0.00 0.31 0.00 0.00 61.69 64.00 2dtx s THR 176 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2dtx s THR 176 CO 0.00 -0.12 -0.26 -0.63 -0.69 0.00 0.00 174.62 172.92 2dtx s ILE 177 N 2.92 2.14 -0.80 1.82 -1.09 -1.26 -0.17 121.20 124.76 2dtx s ILE 177 Ca 0.48 -1.49 -0.25 0.00 -2.23 0.00 0.00 60.65 57.16 2dtx s ILE 177 Cb -0.18 -1.85 -0.00 0.00 -1.58 0.00 0.00 42.46 38.85 2dtx s ILE 177 CO 0.12 0.27 1.67 -0.62 -1.23 0.00 0.00 174.94 175.14 2dtx s ASP 178 N -1.48 5.69 0.17 3.58 -1.08 0.91 -4.66 116.67 119.80 2dtx s ASP 178 Ca 0.12 -0.47 -0.00 0.00 -0.52 0.00 0.00 52.55 51.68 2dtx s ASP 178 Cb -0.10 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.77 2dtx s ASP 178 CO 0.03 -2.18 0.08 0.42 0.52 0.00 0.00 175.17 174.05 2dtx s THR 179 N 7.75 0.18 0.29 1.71 -4.23 -1.26 -4.42 115.64 115.65 2dtx s THR 179 Ca 0.56 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2dtx s THR 179 Cb -0.07 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.77 2dtx s THR 179 CO 0.08 -0.26 1.94 -0.65 -0.54 0.00 0.00 174.62 175.18 2dtx h PRO 180 N 2.72 1.08 -0.67 3.99 0.11 -1.97 -0.40 132.00 136.85 2dtx h PRO 180 Ca -0.36 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 2dtx h PRO 180 Cb 1.22 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2dtx h PRO 180 CO 0.58 0.72 0.42 1.25 -0.21 0.00 0.00 178.00 180.75 2dtx h LEU 181 N 1.12 0.80 -0.25 2.35 6.46 -1.96 0.09 115.31 123.91 2dtx h LEU 181 Ca 0.35 -0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 57.91 2dtx h LEU 181 Cb 0.02 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2dtx h LEU 181 CO -0.11 0.61 -0.45 0.58 -0.62 0.00 0.00 178.44 178.45 2dtx h VAL 182 N 0.91 1.30 -0.73 1.05 2.07 -1.64 -0.76 116.25 118.45 2dtx h VAL 182 Ca 0.24 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2dtx h VAL 182 Cb -0.05 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 2dtx h VAL 182 CO -0.05 0.53 0.42 0.03 0.02 0.00 0.00 177.57 178.52 2dtx h ARG 183 N 0.48 0.99 -0.34 1.57 2.47 -0.89 -0.76 114.38 117.91 2dtx h ARG 183 Ca 0.01 -0.10 -0.12 0.00 -1.26 0.00 0.00 59.98 58.52 2dtx h ARG 183 Cb 1.05 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 2dtx h ARG 183 CO 0.10 0.71 -0.29 -0.22 0.56 0.00 0.00 179.97 180.83 2dtx h LYS 184 N 1.00 0.72 -0.82 0.04 3.11 -0.82 0.36 116.57 120.16 2dtx h LYS 184 Ca 0.26 -0.32 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 2dtx h LYS 184 Cb -0.01 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.16 2dtx h LYS 184 CO -0.05 0.92 0.42 0.00 -2.81 0.00 0.00 179.45 177.94 2dtx h ALA 185 N 1.06 1.20 -0.19 5.00 0.00 -0.13 -0.06 119.26 126.14 2dtx h ALA 185 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2dtx h ALA 185 Cb 0.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2dtx h ALA 185 CO 0.07 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.85 2dtx h ALA 186 N 1.31 0.27 -0.92 0.00 0.00 -0.73 -3.02 119.26 116.18 2dtx h ALA 186 Ca 0.28 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2dtx h ALA 186 Cb 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2dtx h ALA 186 CO -0.04 0.09 0.60 1.49 0.00 0.00 0.00 179.25 181.39 2dtx h GLU 187 N 0.09 1.08 0.00 0.00 4.81 -0.46 0.33 114.58 120.43 2dtx h GLU 187 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2dtx h GLU 187 Cb 0.57 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2dtx h GLU 187 CO 0.03 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 180.30 2dtx n LEU 188 N -4.46 0.55 -0.08 1.64 4.77 -0.08 -0.58 117.00 118.76 2dtx n LEU 188 Ca 0.13 0.74 -0.14 0.00 -0.03 0.00 0.00 56.01 56.71 2dtx n LEU 188 Cb 0.14 -0.79 -0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2dtx n LEU 188 CO 0.34 -0.89 -1.06 -0.62 -1.33 0.00 0.00 177.39 173.82 2dtx n GLU 189 N -2.23 0.40 0.00 3.23 1.02 0.45 -4.84 120.64 118.67 2dtx n GLU 189 Ca -0.01 0.12 0.03 0.00 -0.02 0.00 0.00 57.16 57.28 2dtx n GLU 189 Cb 0.05 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 2dtx n GLU 189 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2dtx n VAL 190 N -3.23 0.00 -0.12 2.62 0.24 0.85 -5.12 118.33 113.57 2dtx n VAL 190 Ca -0.31 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 2dtx n VAL 190 Cb 0.79 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 34.21 2dtx n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dtx n GLY 191 N 0.96 -2.72 0.09 7.63 0.00 0.25 -4.65 105.19 106.75 2dtx n GLY 191 Ca 0.02 -2.05 0.14 0.00 0.00 0.00 0.00 46.02 44.13 2dtx n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dtx n SER 192 N 0.01 0.40 -4.60 1.61 3.41 -1.26 -4.39 113.62 108.81 2dtx n SER 192 Ca 0.00 -0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 57.73 2dtx n SER 192 Cb 0.00 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 2dtx n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dtx s ASP 193 N -2.54 5.50 0.56 4.04 -1.08 -1.26 -4.82 116.67 117.07 2dtx s ASP 193 Ca 0.27 1.67 0.31 0.00 -0.52 0.00 0.00 52.55 54.28 2dtx s ASP 193 Cb 0.20 -2.51 1.46 0.00 -1.46 0.00 0.00 42.92 40.61 2dtx s ASP 193 CO 0.49 -1.96 1.86 1.55 0.52 0.00 0.00 175.17 177.63 2dtx h PRO 194 N 14.79 0.00 -0.09 4.34 0.13 -1.99 0.29 132.00 149.47 2dtx h PRO 194 Ca -0.38 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 2dtx h PRO 194 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 2dtx h PRO 194 CO 0.99 0.00 -0.62 1.98 -0.23 0.00 0.00 178.00 180.13 2dtx h MET 195 N 0.00 0.58 0.00 0.86 1.85 -1.99 -2.25 114.93 113.98 2dtx h MET 195 Ca 0.37 -0.50 -0.11 0.00 -0.61 0.00 0.00 59.70 58.85 2dtx h MET 195 Cb 1.61 0.11 -0.02 0.00 0.43 0.00 0.00 31.60 33.74 2dtx h MET 195 CO -0.00 1.12 -0.52 0.00 -0.40 0.00 0.00 176.91 177.11 2dtx h ARG 196 N 0.19 0.00 -0.17 0.39 3.08 -0.99 -2.67 114.38 114.22 2dtx h ARG 196 Ca -0.05 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.79 2dtx h ARG 196 Cb 1.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.32 2dtx h ARG 196 CO 0.13 0.52 -0.72 0.82 -1.07 0.00 0.00 179.97 179.64 2dtx h ILE 197 N 0.00 1.29 -0.15 2.04 2.04 -0.63 -2.31 117.51 119.79 2dtx h ILE 197 Ca -0.01 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 63.85 2dtx h ILE 197 Cb 1.17 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2dtx h ILE 197 CO 0.07 0.61 -0.20 -0.08 0.00 0.00 0.00 178.15 178.55 2dtx h GLU 198 N 0.53 0.25 -0.19 2.37 4.22 -1.33 -1.20 114.58 119.24 2dtx h GLU 198 Ca -0.04 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.28 2dtx h GLU 198 Cb 1.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2dtx h GLU 198 CO 0.15 0.45 -0.08 -0.22 -2.18 0.00 0.00 179.01 177.14 2dtx h LYS 199 N 0.23 0.39 -0.58 1.92 3.64 -1.33 0.16 116.57 121.02 2dtx h LYS 199 Ca 0.04 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 2dtx h LYS 199 Cb 0.50 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2dtx h LYS 199 CO 0.03 0.67 0.12 -0.22 -2.27 0.00 0.00 179.45 177.79 2dtx h LYS 200 N 0.09 0.94 -0.50 1.90 1.63 -1.18 -0.33 116.57 119.13 2dtx h LYS 200 Ca 0.05 -0.24 -0.09 0.00 -0.85 0.00 0.00 60.65 59.52 2dtx h LYS 200 Cb 0.55 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2dtx h LYS 200 CO 0.02 0.88 -0.06 0.82 -3.45 0.00 0.00 179.45 177.66 2dtx h ILE 201 N 0.84 1.26 -0.49 2.00 2.04 -1.15 -1.62 117.51 120.38 2dtx h ILE 201 Ca 0.18 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 2dtx h ILE 201 Cb 0.38 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2dtx h ILE 201 CO 0.01 0.40 0.02 -1.28 0.00 0.00 0.00 178.15 177.30 2dtx h SER 202 N 0.80 0.77 -0.12 1.72 0.87 -0.27 0.55 113.55 117.87 2dtx h SER 202 Ca 0.14 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2dtx h SER 202 Cb 0.56 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2dtx h SER 202 CO 0.03 0.83 0.07 -0.08 -0.53 0.00 0.00 176.83 177.16 2dtx h GLU 203 N 0.76 0.17 -0.48 2.24 4.81 -0.58 -0.04 114.58 121.45 2dtx h GLU 203 Ca 0.15 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2dtx h GLU 203 Cb 0.43 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2dtx h GLU 203 CO 0.02 0.15 0.29 -1.49 -0.73 0.00 0.00 179.01 177.25 2dtx h TRP 204 N 0.13 0.64 -0.84 0.92 6.55 -0.95 -2.38 115.95 120.03 2dtx h TRP 204 Ca 0.04 -0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.94 2dtx h TRP 204 Cb 0.03 -0.21 -0.05 0.00 -0.86 0.00 0.00 29.16 28.07 2dtx h TRP 204 CO -0.06 0.45 0.55 0.78 -1.05 0.00 0.00 178.44 179.11 2dtx h GLY 205 N 0.65 1.19 2.00 1.49 0.00 -0.45 -1.07 103.07 106.88 2dtx h GLY 205 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2dtx h GLY 205 CO -0.03 0.29 0.00 1.42 0.00 0.00 0.00 176.54 178.21 2dtx n HIS 206 N -4.48 0.61 0.16 5.60 8.25 -0.07 -1.86 115.22 123.43 2dtx n HIS 206 Ca 0.12 0.23 0.07 0.00 -0.26 0.00 0.00 57.72 57.88 2dtx n HIS 206 Cb 0.19 -0.87 0.08 0.00 1.12 0.00 0.00 29.99 30.51 2dtx n HIS 206 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2dtx h GLU 207 N 0.00 0.00 -6.50 -0.41 4.39 -0.93 -3.45 114.58 107.68 2dtx h GLU 207 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2dtx h GLU 207 Cb 0.39 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2dtx h GLU 207 CO 0.00 0.26 0.18 -1.01 -1.16 0.00 0.00 179.01 177.28 2dtx s HIS 208 N -3.08 3.89 0.44 4.33 3.76 -0.78 -4.88 115.29 118.97 2dtx s HIS 208 Ca 0.05 1.62 0.16 0.00 -0.15 0.00 0.00 55.06 56.74 2dtx s HIS 208 Cb 0.07 -2.78 1.08 0.00 1.11 0.00 0.00 32.58 32.06 2dtx s HIS 208 CO 0.72 0.49 1.95 -1.35 -0.85 0.00 0.00 174.74 175.70 2dtx h PRO 209 N 4.47 0.36 0.00 8.40 0.11 -1.75 0.12 132.00 143.70 2dtx h PRO 209 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2dtx h PRO 209 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2dtx h PRO 209 CO 0.67 0.24 0.00 -1.33 -0.21 0.00 0.00 178.00 177.36 2dtx n MET 210 N -4.46 0.17 -1.56 1.05 2.81 -0.72 -4.87 117.12 109.53 2dtx n MET 210 Ca 0.12 0.18 -0.16 0.00 -1.81 0.00 0.00 57.70 56.03 2dtx n MET 210 Cb 0.48 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.43 2dtx n MET 210 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2dtx n GLN 211 N -1.29 -1.15 -3.58 0.03 1.13 0.40 -4.95 117.38 107.97 2dtx n GLN 211 Ca 0.06 1.04 -0.10 0.00 -1.94 0.00 0.00 57.00 56.06 2dtx n GLN 211 Cb 0.10 -5.26 -0.02 0.00 0.11 0.00 0.00 30.24 25.17 2dtx n GLN 211 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2dtx s ARG 212 N -3.53 1.45 0.57 -1.09 1.70 -0.80 -4.37 118.95 112.87 2dtx s ARG 212 Ca 0.00 -0.66 -0.05 0.00 -0.47 0.00 0.00 55.73 54.55 2dtx s ARG 212 Cb 0.00 0.59 0.01 0.00 -0.57 0.00 0.00 34.95 34.98 2dtx s ARG 212 CO 0.00 -0.64 0.87 0.96 -1.08 0.00 0.00 175.30 175.41 2dtx s ILE 213 N -3.81 3.74 0.75 4.99 -4.36 -1.26 -4.70 121.20 116.55 2dtx s ILE 213 Ca 0.05 -0.04 -0.12 0.00 -0.26 0.00 0.00 60.65 60.28 2dtx s ILE 213 Cb -0.03 -3.47 0.05 0.00 1.25 0.00 0.00 42.46 40.26 2dtx s ILE 213 CO -0.06 -0.47 1.13 -0.83 0.24 0.00 0.00 174.94 174.95 2dtx s GLY 214 N -4.29 1.61 0.05 6.27 0.00 0.76 -4.82 107.32 106.91 2dtx s GLY 214 Ca 0.53 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.77 2dtx s GLY 214 CO 0.44 -0.09 0.02 0.54 0.00 0.00 0.00 173.10 174.02 2dtx s LYS 215 N -5.46 2.73 0.33 2.90 1.02 -1.26 -0.06 119.74 119.93 2dtx s LYS 215 Ca 0.60 -0.71 0.07 0.00 0.02 0.00 0.00 55.97 55.95 2dtx s LYS 215 Cb -0.11 -2.64 0.77 0.00 -0.52 0.00 0.00 37.83 35.33 2dtx s LYS 215 CO 0.50 0.58 1.82 -1.35 -0.92 0.00 0.00 175.35 175.98 2dtx h PRO 216 N 3.74 0.72 0.00 -1.68 0.11 -1.94 0.70 132.00 133.65 2dtx h PRO 216 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2dtx h PRO 216 Cb 1.17 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 2dtx h PRO 216 CO 0.60 0.48 -0.12 1.96 -0.21 0.00 0.00 178.00 180.71 2dtx h GLN 217 N 0.74 0.00 -0.14 1.05 7.50 -1.94 -1.28 115.11 121.05 2dtx h GLN 217 Ca 0.52 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.51 2dtx h GLN 217 Cb 0.81 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.34 2dtx h GLN 217 CO -0.28 0.12 -0.59 0.93 -1.50 0.00 0.00 178.83 177.52 2dtx h GLU 218 N 0.00 0.45 -0.26 1.46 5.08 -1.26 -1.07 114.58 118.98 2dtx h GLU 218 Ca -0.00 -0.30 -0.16 0.00 -1.00 0.00 0.00 59.36 57.90 2dtx h GLU 218 Cb 0.29 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2dtx h GLU 218 CO 0.02 0.91 -0.45 0.28 -1.00 0.00 0.00 179.01 178.76 2dtx h VAL 219 N 0.34 1.30 -0.43 3.13 2.07 -1.35 -3.01 116.25 118.29 2dtx h VAL 219 Ca -0.00 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.87 2dtx h VAL 219 Cb 1.12 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2dtx h VAL 219 CO 0.10 0.53 0.29 0.00 0.02 0.00 0.00 177.57 178.51 2dtx h ALA 220 N 0.65 1.71 -0.80 1.67 0.00 -0.99 -1.60 119.26 119.90 2dtx h ALA 220 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2dtx h ALA 220 Cb 1.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2dtx h ALA 220 CO 0.10 0.27 0.33 0.77 0.00 0.00 0.00 179.25 180.72 2dtx h SER 221 N 0.57 1.09 -0.34 0.00 0.02 -1.06 -1.07 113.55 112.76 2dtx h SER 221 Ca 0.16 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2dtx h SER 221 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2dtx h SER 221 CO -0.04 0.96 -0.25 0.00 -1.14 0.00 0.00 176.83 176.36 2dtx h ALA 222 N 1.20 0.79 -0.33 3.77 0.00 -1.28 -1.69 119.26 121.72 2dtx h ALA 222 Ca 0.27 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2dtx h ALA 222 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2dtx h ALA 222 CO -0.02 0.65 0.07 0.28 0.00 0.00 0.00 179.25 180.23 2dtx h VAL 223 N 0.73 1.23 -0.62 0.00 2.07 -1.01 -1.25 116.25 117.39 2dtx h VAL 223 Ca 0.09 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2dtx h VAL 223 Cb 0.79 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2dtx h VAL 223 CO 0.07 0.26 0.33 0.00 0.02 0.00 0.00 177.57 178.25 2dtx h ALA 224 N 0.91 0.80 -0.00 1.67 0.00 -1.11 -0.56 119.26 120.96 2dtx h ALA 224 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dtx h ALA 224 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dtx h ALA 224 CO 0.00 0.32 0.00 0.35 0.00 0.00 0.00 179.25 179.93 2dtx h PHE 225 N 0.85 0.01 0.00 0.00 3.04 -1.17 -1.72 116.94 117.94 2dtx h PHE 225 Ca 0.22 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.12 2dtx h PHE 225 Cb 0.06 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2dtx h PHE 225 CO -0.01 0.01 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.00 2dtx h LEU 226 N 0.00 0.00 -0.07 0.59 3.38 -0.94 -2.30 115.31 115.97 2dtx h LEU 226 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2dtx h LEU 226 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dtx h LEU 226 CO -0.00 0.22 -0.09 0.00 0.09 0.00 0.00 178.44 178.65 2dtx h ALA 227 N 1.78 0.94 -2.33 1.53 0.00 -0.81 -3.45 119.26 116.93 2dtx h ALA 227 Ca -0.00 -0.08 -0.47 0.00 0.00 0.00 0.00 54.91 54.36 2dtx h ALA 227 Cb 0.45 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.30 2dtx h ALA 227 CO 0.03 0.12 0.24 -1.54 0.00 0.00 0.00 179.25 178.09 2dtx s SER 228 N -6.24 5.14 0.00 0.00 1.04 -0.67 -4.76 113.70 108.21 2dtx s SER 228 Ca 0.06 0.63 0.14 0.00 0.48 0.00 0.00 55.95 57.26 2dtx s SER 228 Cb 0.06 -1.41 0.60 0.00 0.10 0.00 0.00 66.02 65.36 2dtx s SER 228 CO 0.68 -1.40 1.44 0.54 0.98 0.00 0.00 173.24 175.49 2dtx n ARG 229 N -2.83 0.01 0.16 4.02 1.74 -1.26 -1.71 116.66 116.79 2dtx n ARG 229 Ca 0.07 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.53 2dtx n ARG 229 Cb 0.59 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 31.09 2dtx n ARG 229 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dtx h GLU 230 N 0.00 0.00 -0.33 5.56 4.39 -1.93 -1.92 114.58 120.36 2dtx h GLU 230 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 2dtx h GLU 230 Cb 0.24 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.78 2dtx h GLU 230 CO 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 179.01 177.72 2dtx n ALA 231 N -1.83 4.30 0.24 3.43 0.00 -0.69 -4.82 120.51 121.14 2dtx n ALA 231 Ca 0.01 -3.18 0.18 0.00 0.00 0.00 0.00 53.44 50.45 2dtx n ALA 231 Cb 0.20 -0.70 0.87 0.00 0.00 0.00 0.00 19.45 19.81 2dtx n ALA 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dtx h SER 232 N 1.01 0.00 -0.17 0.00 4.64 -1.48 -0.34 113.55 117.21 2dtx h SER 232 Ca 0.21 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2dtx h SER 232 Cb 1.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2dtx h SER 232 CO 0.36 0.00 -0.00 0.33 -0.87 0.00 0.00 176.83 176.65 2dtx n PHE 233 N -3.45 0.61 -3.90 4.77 -0.00 -1.26 -4.94 117.46 109.28 2dtx n PHE 233 Ca 0.01 -0.93 -0.35 0.00 -0.00 0.00 0.00 57.45 56.17 2dtx n PHE 233 Cb 0.35 -0.26 -0.14 0.00 -0.00 0.00 0.00 39.48 39.44 2dtx n PHE 233 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2dtx s ILE 234 N -2.86 3.30 -0.08 -2.13 1.01 -0.14 -5.08 121.20 115.22 2dtx s ILE 234 Ca 0.39 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 2dtx s ILE 234 Cb 0.32 -2.60 0.05 0.00 0.01 0.00 0.00 42.46 40.24 2dtx s ILE 234 CO 0.07 0.29 0.48 0.28 0.00 0.00 0.00 174.94 176.05 2dtx s THR 235 N 1.43 0.02 0.00 2.92 -1.32 -1.26 -4.74 115.64 112.69 2dtx s THR 235 Ca 0.03 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2dtx s THR 235 Cb -0.16 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 2dtx s THR 235 CO -0.03 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 2dtx n GLY 236 N 1.62 0.52 3.84 6.08 0.00 0.84 -4.97 105.19 113.11 2dtx n GLY 236 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2dtx n GLY 236 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dtx s THR 237 N -2.19 2.61 -0.15 2.61 -1.32 -1.26 -4.59 115.64 111.36 2dtx s THR 237 Ca 0.00 -1.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.05 2dtx s THR 237 Cb 0.00 -3.01 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 2dtx s THR 237 CO 0.00 -0.01 -0.20 0.00 -2.21 0.00 0.00 174.62 172.20 2dtx s LEU 239 N 0.83 4.29 -0.12 0.00 2.96 -0.19 -4.87 118.68 121.58 2dtx s LEU 239 Ca -0.06 0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.64 2dtx s LEU 239 Cb -0.15 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 2dtx s LEU 239 CO -0.02 -0.57 1.04 -0.31 -1.32 0.00 0.00 176.35 175.17 2dtx s TYR 240 N 2.62 3.44 -0.73 5.38 2.02 -1.26 -0.92 117.35 127.90 2dtx s TYR 240 Ca 0.23 1.52 0.04 0.00 -0.37 0.00 0.00 57.07 58.49 2dtx s TYR 240 Cb -0.15 -3.23 0.19 0.00 -0.40 0.00 0.00 41.96 38.37 2dtx s TYR 240 CO 0.14 -0.41 0.57 0.28 -1.57 0.00 0.00 175.55 174.57 2dtx n VAL 241 N 4.67 1.96 -0.60 0.71 0.31 -0.59 -4.88 118.33 119.90 2dtx n VAL 241 Ca 0.09 -4.96 0.01 0.00 -0.01 0.00 0.00 64.34 59.47 2dtx n VAL 241 Cb 0.48 -2.21 0.01 0.00 -0.91 0.00 0.00 33.84 31.21 2dtx n VAL 241 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2dtx n ASP 242 N 1.87 1.05 -1.75 4.52 3.85 -1.26 -1.76 116.55 123.07 2dtx n ASP 242 Ca 0.21 -1.63 -0.18 0.00 -0.71 0.00 0.00 54.79 52.48 2dtx n ASP 242 Cb 0.36 -0.04 -0.06 0.00 -1.35 0.00 0.00 41.12 40.03 2dtx n ASP 242 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dtx n GLY 243 N -0.31 1.14 1.41 6.12 0.00 -1.26 -0.92 105.19 111.37 2dtx n GLY 243 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2dtx n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dtx n GLY 244 N -0.49 0.75 0.25 -0.02 0.00 -1.26 -1.76 105.19 102.66 2dtx n GLY 244 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2dtx n GLY 244 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dtx h LEU 245 N 0.00 0.47 0.00 0.99 5.85 -1.37 -2.40 115.31 118.85 2dtx h LEU 245 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2dtx h LEU 245 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2dtx h LEU 245 CO 0.00 0.30 0.00 -1.54 -0.34 0.00 0.00 178.44 176.86 2dtx n SER 246 N -4.84 0.00 -0.52 1.25 3.41 -1.26 -2.46 113.62 109.20 2dtx n SER 246 Ca 0.08 0.15 0.05 0.00 -0.26 0.00 0.00 58.87 58.89 2dtx n SER 246 Cb 0.19 -0.32 0.09 0.00 -0.26 0.00 0.00 64.21 63.91 2dtx n SER 246 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2dtx n ILE 247 N -1.32 0.47 -3.43 -1.33 -6.64 -0.91 -4.97 119.36 101.23 2dtx n ILE 247 Ca 0.06 -0.74 -0.39 0.00 -1.77 0.00 0.00 62.75 59.92 2dtx n ILE 247 Cb 0.13 0.88 -0.09 0.00 -1.44 0.00 0.00 39.64 39.11 2dtx n ILE 247 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 2dtx s ARG 248 N -0.95 3.98 -0.10 6.28 3.52 -1.03 -5.07 118.95 125.59 2dtx s ARG 248 Ca 0.17 -0.05 -0.20 0.00 -0.13 0.00 0.00 55.73 55.52 2dtx s ARG 248 Cb 0.10 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 2dtx s ARG 248 CO 0.14 -0.27 0.57 0.00 -0.81 0.00 0.00 175.30 174.93 2dtx s ALA 249 N 2.00 3.42 -0.22 6.12 0.00 -1.26 -4.97 121.76 126.85 2dtx s ALA 249 Ca 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 2dtx s ALA 249 Cb -0.16 -2.77 -0.22 0.00 0.00 0.00 0.00 23.12 19.97 2dtx s ALA 249 CO 0.10 -0.04 3.49 -0.35 0.00 0.00 0.00 175.76 178.96 2dtx n PRO 250 N 3.72 2.24 -4.05 0.00 -0.04 -1.26 -4.81 135.00 130.80 2dtx n PRO 250 Ca -0.05 -1.24 -0.31 0.00 -0.04 0.00 0.00 63.50 61.86 2dtx n PRO 250 Cb 0.51 -2.10 -0.16 0.00 -0.04 0.00 0.00 33.50 31.71 2dtx n PRO 250 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2dtx s ILE 251 N 0.89 1.78 0.70 0.52 -1.09 -1.26 -5.12 121.20 117.62 2dtx s ILE 251 Ca 0.67 -0.87 -0.15 0.00 -2.23 0.00 0.00 60.65 58.07 2dtx s ILE 251 Cb 0.31 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.51 2dtx s ILE 251 CO -0.02 0.39 1.14 -0.94 -1.23 0.00 0.00 174.94 174.29 2dtx s SER 252 N 1.38 4.68 0.10 3.58 1.04 -1.26 -5.07 113.70 118.15 2dtx s SER 252 Ca 0.03 2.13 0.02 0.00 0.48 0.00 0.00 55.95 58.61 2dtx s SER 252 Cb -0.14 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 2dtx s SER 252 CO -0.11 -1.93 -0.08 0.42 0.98 0.00 0.00 173.24 172.53 2dtx s THR 253 N -2.24 0.78 0.42 2.02 -4.23 -1.26 -5.13 115.64 106.00 2dtx s THR 253 Ca 0.69 -1.87 -0.26 0.00 -1.18 0.00 0.00 61.69 59.07 2dtx s THR 253 Cb -0.23 -1.61 -0.09 0.00 1.34 0.00 0.00 72.50 71.91 2dtx s THR 253 CO 0.44 -0.79 1.38 -2.16 -0.54 0.00 0.00 174.62 172.95 2dtx s PRO 254 N -3.57 3.88 0.00 3.99 0.04 -1.26 -5.33 135.00 132.76 2dtx s PRO 254 Ca 0.11 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2dtx s PRO 254 Cb 0.03 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dtx s PRO 254 CO -0.03 -0.62 0.00 -1.91 0.04 0.00 0.00 177.00 174.48