#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dtd s PHE 2 N 0.00 3.52 0.51 1.61 0.40 -1.26 -4.96 117.98 117.80 2dtd s PHE 2 Ca 0.00 -2.48 0.27 0.00 -0.60 0.00 0.00 56.93 54.12 2dtd s PHE 2 Cb 0.00 -3.24 1.38 0.00 0.51 0.00 0.00 43.02 41.67 2dtd s PHE 2 CO 0.00 -0.93 1.92 0.77 0.70 0.00 0.00 175.22 177.68 2dtd h SER 3 N 7.76 0.07 0.56 1.36 0.02 -2.01 -1.67 113.55 119.65 2dtd h SER 3 Ca -0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2dtd h SER 3 Cb 1.02 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2dtd h SER 3 CO 0.71 0.03 0.00 -0.90 -1.14 0.00 0.00 176.83 175.54 2dtd n ASP 4 N -4.35 0.64 0.15 3.07 5.75 -1.26 -2.30 116.55 118.24 2dtd n ASP 4 Ca 0.15 0.69 0.12 0.00 -0.01 0.00 0.00 54.79 55.74 2dtd n ASP 4 Cb 0.79 -0.81 0.27 0.00 -1.03 0.00 0.00 41.12 40.34 2dtd n ASP 4 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2dtd h LEU 5 N 0.00 0.00 -9.76 -2.12 3.38 -1.60 -3.45 115.31 101.76 2dtd h LEU 5 Ca 0.00 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 2dtd h LEU 5 Cb 0.28 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.11 2dtd h LEU 5 CO 0.00 0.01 0.85 -2.11 0.09 0.00 0.00 178.44 177.27 2dtd n ARG 6 N -2.62 2.61 -0.44 1.13 1.85 -0.98 -2.17 116.66 116.05 2dtd n ARG 6 Ca 0.05 0.93 0.00 0.00 -1.00 0.00 0.00 57.85 57.82 2dtd n ARG 6 Cb 0.48 -2.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.19 2dtd n ARG 6 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dtd n ASP 7 N 2.20 0.00 -4.82 2.89 8.00 0.80 -4.86 116.55 120.76 2dtd n ASP 7 Ca 0.09 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.26 2dtd n ASP 7 Cb 0.36 -0.96 -0.07 0.00 -0.02 0.00 0.00 41.12 40.44 2dtd n ASP 7 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dtd s LYS 8 N -0.26 4.22 -0.18 -1.24 1.02 -0.92 -4.57 119.74 117.81 2dtd s LYS 8 Ca 0.00 1.03 -0.27 0.00 0.02 0.00 0.00 55.97 56.75 2dtd s LYS 8 Cb 0.00 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 2dtd s LYS 8 CO 0.00 0.08 0.92 0.08 -0.92 0.00 0.00 175.35 175.51 2dtd s VAL 9 N -2.02 4.81 -0.11 3.17 1.01 -1.26 -1.10 120.40 124.90 2dtd s VAL 9 Ca 0.58 1.81 0.02 0.00 0.00 0.00 0.00 61.98 64.38 2dtd s VAL 9 Cb -0.11 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.07 2dtd s VAL 9 CO 0.16 -0.04 -0.15 -0.69 0.00 0.00 0.00 175.10 174.38 2dtd s VAL 10 N 2.43 1.53 -0.16 2.92 1.01 -0.32 -1.29 120.40 126.51 2dtd s VAL 10 Ca 0.41 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2dtd s VAL 10 Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2dtd s VAL 10 CO 0.12 0.45 0.04 -0.63 0.00 0.00 0.00 175.10 175.07 2dtd s ILE 11 N 1.01 4.58 -0.12 2.22 1.01 0.02 -0.94 121.20 128.97 2dtd s ILE 11 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2dtd s ILE 11 Cb -0.15 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2dtd s ILE 11 CO -0.02 0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 174.62 2dtd s VAL 12 N 0.17 1.23 0.16 2.92 1.01 -0.14 0.28 120.40 126.02 2dtd s VAL 12 Ca 0.03 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 2dtd s VAL 12 Cb -0.13 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 2dtd s VAL 12 CO 0.01 0.40 0.63 0.42 0.00 0.00 0.00 175.10 176.57 2dtd s THR 13 N 1.54 4.68 -1.10 3.92 -4.23 -0.61 -1.20 115.64 118.64 2dtd s THR 13 Ca 0.03 1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.66 2dtd s THR 13 Cb -0.13 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2dtd s THR 13 CO -0.08 0.33 0.94 0.61 -0.54 0.00 0.00 174.62 175.88 2dtd n GLY 14 N 1.07 -0.29 1.85 3.99 0.00 -0.10 -2.21 105.19 109.49 2dtd n GLY 14 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2dtd n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dtd n ALA 15 N -4.16 3.98 0.29 4.61 0.00 -1.26 -4.06 120.51 119.92 2dtd n ALA 15 Ca -0.13 -2.06 0.12 0.00 0.00 0.00 0.00 53.44 51.38 2dtd n ALA 15 Cb 0.60 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 19.13 2dtd n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dtd h SER 16 N 3.56 0.00 -5.05 0.00 4.64 -1.87 -3.19 113.55 111.64 2dtd h SER 16 Ca 0.06 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2dtd h SER 16 Cb 2.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.10 2dtd h SER 16 CO 0.53 0.00 0.22 0.00 -0.87 0.00 0.00 176.83 176.71 2dtd s MET 17 N -3.20 2.09 3.64 4.77 0.23 -1.26 -4.69 119.30 120.88 2dtd s MET 17 Ca 0.07 -1.36 0.00 0.00 -1.03 0.00 0.00 55.69 53.37 2dtd s MET 17 Cb 0.07 0.60 0.00 0.00 -1.53 0.00 0.00 34.83 33.97 2dtd s MET 17 CO 0.67 -0.97 0.00 0.41 -2.03 0.00 0.00 175.02 173.10 2dtd n GLY 18 N -0.51 2.67 0.30 3.16 0.00 -1.26 -1.92 105.19 107.62 2dtd n GLY 18 Ca -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 2dtd n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dtd h ILE 19 N 0.00 1.21 -0.61 -0.61 2.04 -1.91 -1.91 117.51 115.72 2dtd h ILE 19 Ca 0.00 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.45 2dtd h ILE 19 Cb 0.00 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 2dtd h ILE 19 CO 0.00 0.21 0.40 1.23 0.00 0.00 0.00 178.15 179.99 2dtd h GLY 20 N 1.04 0.86 1.07 5.37 0.00 -1.66 0.14 103.07 109.89 2dtd h GLY 20 Ca 0.28 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 2dtd h GLY 20 CO -0.06 0.29 0.02 -0.09 0.00 0.00 0.00 176.54 176.71 2dtd h ARG 21 N 0.80 1.06 -0.37 4.80 2.43 -1.17 -1.36 114.38 120.57 2dtd h ARG 21 Ca 0.23 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 2dtd h ARG 21 Cb -0.06 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2dtd h ARG 21 CO -0.06 1.03 -0.04 0.00 -1.51 0.00 0.00 179.97 179.39 2dtd h ALA 22 N 0.99 1.25 -0.25 2.80 0.00 -0.85 -1.09 119.26 122.10 2dtd h ALA 22 Ca 0.17 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2dtd h ALA 22 Cb 0.54 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dtd h ALA 22 CO 0.03 0.50 -0.13 0.82 0.00 0.00 0.00 179.25 180.46 2dtd h ILE 23 N 0.57 1.30 -0.33 0.00 2.04 -0.63 -1.78 117.51 118.69 2dtd h ILE 23 Ca 0.11 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 2dtd h ILE 23 Cb 0.42 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2dtd h ILE 23 CO 0.02 0.38 0.19 0.00 0.00 0.00 0.00 178.15 178.74 2dtd h ALA 24 N 0.72 0.42 -0.50 1.87 0.00 -1.00 -2.13 119.26 118.63 2dtd h ALA 24 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2dtd h ALA 24 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2dtd h ALA 24 CO 0.04 -0.08 0.15 0.93 0.00 0.00 0.00 179.25 180.30 2dtd h GLU 25 N 0.42 0.74 -0.31 0.00 5.08 -1.18 -0.54 114.58 118.78 2dtd h GLU 25 Ca 0.12 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2dtd h GLU 25 Cb 0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2dtd h GLU 25 CO -0.02 0.65 0.03 -0.09 -1.00 0.00 0.00 179.01 178.58 2dtd h ARG 26 N 0.73 0.53 -0.53 2.33 9.65 -1.06 -0.47 114.38 125.55 2dtd h ARG 26 Ca 0.17 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 2dtd h ARG 26 Cb 0.22 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 2dtd h ARG 26 CO -0.01 0.65 0.13 0.74 2.80 0.00 0.00 179.97 184.28 2dtd h PHE 27 N 0.34 0.83 -0.31 2.20 -1.00 -1.00 -1.00 116.94 117.00 2dtd h PHE 27 Ca 0.09 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 2dtd h PHE 27 Cb 0.39 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2dtd h PHE 27 CO 0.03 0.70 0.19 0.28 -1.61 0.00 0.00 178.31 177.91 2dtd h VAL 28 N 0.78 1.10 0.00 -0.55 2.07 -0.79 -0.78 116.25 118.08 2dtd h VAL 28 Ca 0.17 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2dtd h VAL 28 Cb 0.29 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2dtd h VAL 28 CO -0.00 0.10 -0.02 0.44 0.02 0.00 0.00 177.57 178.11 2dtd h ASP 29 N 0.41 0.00 0.57 0.57 3.32 -0.38 0.22 116.42 121.13 2dtd h ASP 29 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2dtd h ASP 29 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2dtd h ASP 29 CO -0.02 0.02 -0.08 -0.62 -1.72 0.00 0.00 179.24 176.82 2dtd n GLU 30 N -3.42 0.40 -0.46 3.56 -0.58 -0.41 -4.89 120.64 114.83 2dtd n GLU 30 Ca -0.03 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2dtd n GLU 30 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2dtd n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dtd n GLY 31 N 1.34 0.77 3.85 0.62 0.00 0.79 -3.40 105.19 109.16 2dtd n GLY 31 Ca 0.12 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2dtd n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dtd s SER 32 N -2.04 5.78 -0.49 1.61 0.01 -0.53 -0.14 113.70 117.90 2dtd s SER 32 Ca 0.00 1.46 -0.17 0.00 1.31 0.00 0.00 55.95 58.55 2dtd s SER 32 Cb 0.00 -2.41 0.06 0.00 0.21 0.00 0.00 66.02 63.88 2dtd s SER 32 CO 0.00 -1.17 0.51 -0.54 0.41 0.00 0.00 173.24 172.45 2dtd s LYS 33 N -5.14 3.06 -0.15 12.44 1.02 -0.25 -4.51 119.74 126.19 2dtd s LYS 33 Ca 0.57 -1.09 -0.07 0.00 0.02 0.00 0.00 55.97 55.40 2dtd s LYS 33 Cb -0.12 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 2dtd s LYS 33 CO 0.54 -1.11 0.09 0.08 -0.92 0.00 0.00 175.35 174.03 2dtd s VAL 34 N 2.16 5.06 -0.12 3.17 1.01 -1.26 -1.17 120.40 129.24 2dtd s VAL 34 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2dtd s VAL 34 Cb -0.21 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2dtd s VAL 34 CO 0.10 0.53 -0.16 -0.63 0.00 0.00 0.00 175.10 174.94 2dtd s ILE 35 N -0.30 1.60 -0.17 2.22 1.09 -0.12 -0.34 121.20 125.19 2dtd s ILE 35 Ca 0.10 -0.69 -0.16 0.00 -1.10 0.00 0.00 60.65 58.80 2dtd s ILE 35 Cb -0.12 -1.46 -0.04 0.00 -1.06 0.00 0.00 42.46 39.78 2dtd s ILE 35 CO 0.01 0.46 0.38 -0.62 -0.10 0.00 0.00 174.94 175.08 2dtd s ASP 36 N 1.09 6.49 -0.37 3.58 3.68 0.97 -0.96 116.67 131.14 2dtd s ASP 36 Ca -0.04 0.57 -0.04 0.00 2.13 0.00 0.00 52.55 55.18 2dtd s ASP 36 Cb -0.14 -2.23 0.08 0.00 -1.45 0.00 0.00 42.92 39.18 2dtd s ASP 36 CO -0.04 -0.01 0.15 -0.76 0.13 0.00 0.00 175.17 174.64 2dtd s LEU 37 N 0.92 4.76 0.23 -1.34 1.43 -0.34 -0.80 118.68 123.53 2dtd s LEU 37 Ca 0.20 -1.62 -0.16 0.00 -1.03 0.00 0.00 54.13 51.52 2dtd s LEU 37 Cb -0.14 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2dtd s LEU 37 CO 0.07 -0.44 0.52 -0.94 0.23 0.00 0.00 176.35 175.79 2dtd s SER 38 N 1.68 -0.18 0.32 2.29 1.04 -1.16 -0.92 113.70 116.76 2dtd s SER 38 Ca 0.02 -0.69 0.24 0.00 0.48 0.00 0.00 55.95 56.00 2dtd s SER 38 Cb -0.22 0.60 0.39 0.00 0.10 0.00 0.00 66.02 66.89 2dtd s SER 38 CO -0.01 -1.12 1.52 0.16 0.98 0.00 0.00 173.24 174.77 2dtd h ILE 39 N 2.21 0.00 -3.18 -1.02 3.07 -1.84 -0.71 117.51 116.04 2dtd h ILE 39 Ca -0.26 -0.83 -0.65 0.00 1.55 0.00 0.00 64.86 64.67 2dtd h ILE 39 Cb 1.25 1.71 -0.10 0.00 -0.27 0.00 0.00 36.82 39.42 2dtd h ILE 39 CO 0.35 0.00 -0.60 -1.00 -1.05 0.00 0.00 178.15 175.85 2dtd s HIS 40 N -3.21 3.20 -0.15 0.16 3.76 -1.26 -4.86 115.29 112.94 2dtd s HIS 40 Ca 0.06 0.11 -0.24 0.00 -0.15 0.00 0.00 55.06 54.85 2dtd s HIS 40 Cb 0.08 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 32.09 2dtd s HIS 40 CO 0.68 0.52 0.75 -0.51 -0.85 0.00 0.00 174.74 175.33 2dtd s ASP 41 N -2.14 6.89 0.00 1.40 -0.00 -1.26 -4.76 116.67 116.80 2dtd s ASP 41 Ca 0.27 1.09 0.00 0.00 -0.00 0.00 0.00 52.55 53.91 2dtd s ASP 41 Cb -0.12 -2.42 0.00 0.00 -0.00 0.00 0.00 42.92 40.38 2dtd s ASP 41 CO 0.19 -0.30 0.56 -0.81 -0.00 0.00 0.00 175.17 174.81 2dtd n PRO 42 N 4.84 0.68 0.00 8.23 -0.04 -1.26 -4.97 135.00 142.49 2dtd n PRO 42 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2dtd n PRO 42 Cb 0.50 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 2dtd n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dtd n GLY 43 N 0.17 1.34 3.57 0.55 0.00 -1.26 -4.29 105.19 105.28 2dtd n GLY 43 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2dtd n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dtd s GLU 44 N 0.00 2.81 0.08 1.61 -1.05 -1.26 -4.93 118.70 115.96 2dtd s GLU 44 Ca 0.00 1.13 0.01 0.00 -0.15 0.00 0.00 54.97 55.96 2dtd s GLU 44 Cb 0.00 -4.35 -0.04 0.00 -0.44 0.00 0.00 34.13 29.30 2dtd s GLU 44 CO 0.00 -2.48 -0.06 0.00 0.95 0.00 0.00 175.26 173.67 2dtd s ALA 45 N 8.82 0.79 -0.65 -0.84 0.00 -1.26 -5.04 121.76 123.58 2dtd s ALA 45 Ca 0.79 -1.22 0.25 0.00 0.00 0.00 0.00 51.96 51.78 2dtd s ALA 45 Cb -0.18 0.17 0.59 0.00 0.00 0.00 0.00 23.12 23.70 2dtd s ALA 45 CO 0.27 -0.24 1.60 0.87 0.00 0.00 0.00 175.76 178.26 2dtd h LYS 46 N 3.24 0.00 -6.43 0.00 1.57 -1.96 -3.46 116.57 109.53 2dtd h LYS 46 Ca -0.35 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.96 2dtd h LYS 46 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.48 2dtd h LYS 46 CO 0.62 0.00 -0.26 1.52 -0.57 0.00 0.00 179.45 180.76 2dtd s TYR 47 N -3.14 3.45 0.60 -1.35 -0.85 -1.26 -4.94 117.35 109.86 2dtd s TYR 47 Ca 0.08 0.21 -0.12 0.00 -0.52 0.00 0.00 57.07 56.73 2dtd s TYR 47 Cb 0.11 -1.83 -0.05 0.00 0.38 0.00 0.00 41.96 40.58 2dtd s TYR 47 CO 0.65 0.18 1.02 0.34 -1.52 0.00 0.00 175.55 176.22 2dtd s ASP 48 N -4.04 6.26 -0.01 -0.18 2.15 0.54 -4.91 116.67 116.50 2dtd s ASP 48 Ca 0.39 1.47 -0.01 0.00 0.43 0.00 0.00 52.55 54.83 2dtd s ASP 48 Cb -0.09 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2dtd s ASP 48 CO 0.34 -0.85 0.02 -2.28 -0.17 0.00 0.00 175.17 172.23 2dtd s HIS 49 N -3.05 -0.00 -0.09 -5.34 5.65 -1.26 -0.02 115.29 111.18 2dtd s HIS 49 Ca 0.56 0.01 -0.00 0.00 0.25 0.00 0.00 55.06 55.88 2dtd s HIS 49 Cb -0.11 -0.01 0.02 0.00 -1.18 0.00 0.00 32.58 31.31 2dtd s HIS 49 CO 0.49 -0.03 -0.06 0.42 -0.65 0.00 0.00 174.74 174.91 2dtd s ILE 50 N -0.11 0.85 -0.01 0.89 1.01 0.02 -4.92 121.20 118.93 2dtd s ILE 50 Ca -0.01 -0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 2dtd s ILE 50 Cb -0.01 -0.88 -0.10 0.00 0.01 0.00 0.00 42.46 41.48 2dtd s ILE 50 CO -0.00 0.33 1.97 1.21 0.00 0.00 0.00 174.94 178.45 2dtd n GLU 51 N 4.71 2.65 -3.64 2.79 4.07 -1.26 -2.99 120.64 126.96 2dtd n GLU 51 Ca -0.14 0.96 -0.07 0.00 -0.06 0.00 0.00 57.16 57.85 2dtd n GLU 51 Cb 0.50 -2.93 -0.07 0.00 -0.06 0.00 0.00 31.44 28.88 2dtd n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dtd s ASP 53 N 1.69 6.15 0.16 0.00 -1.08 -1.26 -2.83 116.67 119.49 2dtd s ASP 53 Ca -0.10 -0.62 0.13 0.00 -0.52 0.00 0.00 52.55 51.45 2dtd s ASP 53 Cb -0.06 -2.19 0.67 0.00 -1.46 0.00 0.00 42.92 39.88 2dtd s ASP 53 CO -0.19 -0.45 1.41 1.33 0.52 0.00 0.00 175.17 177.79 2dtd n VAL 54 N 5.27 1.36 1.26 1.11 0.24 -1.26 -1.20 118.33 125.10 2dtd n VAL 54 Ca -0.09 0.54 0.13 0.00 -2.04 0.00 0.00 64.34 62.88 2dtd n VAL 54 Cb 0.48 -1.51 0.46 0.00 -1.47 0.00 0.00 33.84 31.81 2dtd n VAL 54 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2dtd n THR 55 N -1.90 0.00 -3.36 3.34 -2.24 -1.26 -4.14 114.28 104.71 2dtd n THR 55 Ca 0.00 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.25 2dtd n THR 55 Cb 0.06 0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2dtd n THR 55 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2dtd s ASN 56 N -2.59 6.12 0.46 3.42 3.84 -0.34 -4.94 114.94 120.91 2dtd s ASN 56 Ca 0.24 -1.68 0.13 0.00 0.21 0.00 0.00 52.86 51.76 2dtd s ASN 56 Cb 0.19 -2.18 1.05 0.00 -0.55 0.00 0.00 41.25 39.76 2dtd s ASN 56 CO 0.53 -0.78 2.05 1.55 -2.79 0.00 0.00 177.10 177.65 2dtd h PRO 57 N 8.81 0.11 -0.32 0.43 0.13 -1.83 -0.68 132.00 138.64 2dtd h PRO 57 Ca -0.29 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.69 2dtd h PRO 57 Cb 1.10 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2dtd h PRO 57 CO 0.98 0.17 -0.35 -0.44 -0.23 0.00 0.00 178.00 178.12 2dtd h ASP 58 N 0.11 0.87 0.05 1.44 3.45 -1.94 -0.22 116.42 120.19 2dtd h ASP 58 Ca 0.03 -0.48 -0.17 0.00 0.43 0.00 0.00 57.03 56.84 2dtd h ASP 58 Cb 0.15 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.67 2dtd h ASP 58 CO 0.01 1.17 -0.61 -0.61 -1.57 0.00 0.00 179.24 177.63 2dtd h GLN 59 N 0.58 0.55 0.08 3.56 4.15 -1.81 -1.55 115.11 120.67 2dtd h GLN 59 Ca 0.05 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 2dtd h GLN 59 Cb 0.94 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.68 2dtd h GLN 59 CO 0.09 0.99 -0.04 0.28 -1.93 0.00 0.00 178.83 178.22 2dtd h VAL 60 N 0.41 1.03 -0.13 2.39 2.07 -1.01 0.08 116.25 121.09 2dtd h VAL 60 Ca -0.01 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2dtd h VAL 60 Cb 1.17 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 2dtd h VAL 60 CO 0.11 0.09 -0.05 0.50 0.02 0.00 0.00 177.57 178.25 2dtd h LYS 61 N -0.27 -0.02 -0.73 1.57 3.64 -1.03 -0.96 116.57 118.77 2dtd h LYS 61 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2dtd h LYS 61 Cb 0.23 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 2dtd h LYS 61 CO 0.02 -0.02 0.44 0.00 -2.27 0.00 0.00 179.45 177.62 2dtd h ALA 62 N 1.10 0.96 -0.31 5.00 0.00 -1.17 0.14 119.26 124.98 2dtd h ALA 62 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dtd h ALA 62 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2dtd h ALA 62 CO -0.15 0.19 0.15 0.77 0.00 0.00 0.00 179.25 180.21 2dtd h SER 63 N 0.84 0.41 -0.50 0.00 0.02 -0.59 -1.16 113.55 112.58 2dtd h SER 63 Ca 0.30 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2dtd h SER 63 Cb 0.09 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2dtd h SER 63 CO -0.14 0.42 -0.00 0.40 -1.14 0.00 0.00 176.83 176.37 2dtd h ILE 64 N 0.36 1.26 -0.53 3.27 2.04 -0.75 -1.53 117.51 121.63 2dtd h ILE 64 Ca 0.11 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.91 2dtd h ILE 64 Cb 0.12 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2dtd h ILE 64 CO -0.01 0.38 0.32 0.44 0.00 0.00 0.00 178.15 179.28 2dtd h ASP 65 N 0.74 0.52 -0.66 1.72 3.32 -0.59 -1.61 116.42 119.85 2dtd h ASP 65 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2dtd h ASP 65 Cb 0.52 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2dtd h ASP 65 CO 0.03 0.36 0.40 -0.74 -1.72 0.00 0.00 179.24 177.57 2dtd h HIS 66 N 0.63 0.86 -0.44 4.55 2.76 -0.98 -2.12 115.15 120.42 2dtd h HIS 66 Ca 0.22 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2dtd h HIS 66 Cb 0.02 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 2dtd h HIS 66 CO -0.06 0.58 0.26 0.82 -1.30 0.00 0.00 177.93 178.23 2dtd h ILE 67 N 0.90 1.14 -0.73 6.26 2.04 -0.86 -0.71 117.51 125.56 2dtd h ILE 67 Ca 0.24 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2dtd h ILE 67 Cb -0.03 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2dtd h ILE 67 CO -0.05 0.15 0.33 0.15 0.00 0.00 0.00 178.15 178.74 2dtd h PHE 68 N 0.58 1.05 -0.19 1.37 3.04 -1.03 0.14 116.94 121.90 2dtd h PHE 68 Ca 0.16 -0.05 -0.18 0.00 3.98 0.00 0.00 57.97 61.88 2dtd h PHE 68 Cb 0.01 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.20 2dtd h PHE 68 CO -0.03 0.77 -0.60 0.87 -2.02 0.00 0.00 178.31 177.30 2dtd h LYS 69 N 1.04 0.63 0.04 1.11 1.79 -1.12 0.11 116.57 120.18 2dtd h LYS 69 Ca 0.25 -0.43 -0.25 0.00 -2.18 0.00 0.00 60.65 58.04 2dtd h LYS 69 Cb 0.13 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2dtd h LYS 69 CO -0.03 1.05 -1.05 1.49 -1.08 0.00 0.00 179.45 179.83 2dtd h GLU 70 N 0.47 0.46 0.00 3.15 4.81 -0.81 -3.37 114.58 119.29 2dtd h GLU 70 Ca -0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2dtd h GLU 70 Cb 1.17 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2dtd h GLU 70 CO 0.12 1.19 -1.62 0.66 -0.73 0.00 0.00 179.01 178.63 2dtd n TYR 71 N -3.73 0.00 0.00 0.92 4.01 0.45 -5.02 117.16 113.79 2dtd n TYR 71 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2dtd n TYR 71 Cb 0.89 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 2dtd n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dtd n GLY 72 N 1.41 1.92 3.89 2.72 0.00 0.03 -4.98 105.19 110.17 2dtd n GLY 72 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2dtd n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dtd s SER 73 N -2.09 -0.01 -0.14 1.61 1.04 -1.25 -5.00 113.70 107.87 2dtd s SER 73 Ca 0.00 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 2dtd s SER 73 Cb 0.00 0.19 0.07 0.00 0.10 0.00 0.00 66.02 66.38 2dtd s SER 73 CO 0.00 -0.37 0.24 -0.63 0.98 0.00 0.00 173.24 173.46 2dtd s ILE 74 N -2.14 -0.39 -0.16 -1.02 1.01 -1.26 -4.69 121.20 112.56 2dtd s ILE 74 Ca 0.25 0.23 0.13 0.00 0.00 0.00 0.00 60.65 61.26 2dtd s ILE 74 Cb 0.01 -0.46 -0.19 0.00 0.01 0.00 0.00 42.46 41.83 2dtd s ILE 74 CO -0.01 0.07 0.03 -1.20 0.00 0.00 0.00 174.94 173.83 2dtd n SER 75 N 5.34 1.22 -3.97 3.58 7.64 -0.41 -4.14 113.62 122.88 2dtd n SER 75 Ca -0.06 -0.01 -0.18 0.00 1.01 0.00 0.00 58.87 59.63 2dtd n SER 75 Cb 0.50 0.76 -0.15 0.00 -1.01 0.00 0.00 64.21 64.30 2dtd n SER 75 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dtd s VAL 76 N -2.39 0.56 -0.11 0.44 1.01 -0.88 -0.39 120.40 118.65 2dtd s VAL 76 Ca -0.10 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2dtd s VAL 76 Cb 0.05 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2dtd s VAL 76 CO 0.63 0.18 -0.12 -0.22 0.00 0.00 0.00 175.10 175.56 2dtd s LEU 77 N 0.07 1.56 -0.31 3.92 2.96 -0.84 -0.80 118.68 125.23 2dtd s LEU 77 Ca -0.01 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2dtd s LEU 77 Cb -0.05 -0.98 0.05 0.00 0.50 0.00 0.00 46.19 45.71 2dtd s LEU 77 CO -0.00 -0.03 0.03 -0.69 -1.32 0.00 0.00 176.35 174.34 2dtd s VAL 78 N 1.17 3.21 -0.34 1.68 1.01 0.14 -1.37 120.40 125.90 2dtd s VAL 78 Ca -0.04 -1.32 -0.24 0.00 0.00 0.00 0.00 61.98 60.38 2dtd s VAL 78 Cb -0.14 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2dtd s VAL 78 CO -0.03 -0.13 0.82 0.20 0.00 0.00 0.00 175.10 175.95 2dtd s ASN 79 N 1.30 6.63 0.00 3.32 0.01 -0.52 -1.57 114.94 124.11 2dtd s ASN 79 Ca -0.04 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.66 2dtd s ASN 79 Cb -0.20 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2dtd s ASN 79 CO -0.00 -0.70 0.00 -3.20 -1.51 0.00 0.00 177.10 171.69 2dtd n ASN 80 N 6.39 1.69 -4.67 -1.22 5.15 -1.23 -0.98 115.26 120.39 2dtd n ASN 80 Ca 0.04 0.00 -0.59 0.00 -0.60 0.00 0.00 54.58 53.43 2dtd n ASN 80 Cb 0.48 0.17 -0.08 0.00 -0.53 0.00 0.00 39.78 39.82 2dtd n ASN 80 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dtd n ALA 81 N -1.03 -1.08 -3.74 5.20 0.00 -0.94 -4.89 120.51 114.02 2dtd n ALA 81 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 2dtd n ALA 81 Cb 0.17 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 2dtd n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2dtd s GLY 82 N 2.33 -0.22 0.16 0.00 0.00 -1.26 -4.53 107.32 103.80 2dtd s GLY 82 Ca 0.96 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 45.53 2dtd s GLY 82 CO 0.65 -0.03 0.16 -0.26 0.00 0.00 0.00 173.10 173.61 2dtd s ILE 83 N -3.88 0.07 -0.14 0.90 -4.36 -1.26 -5.02 121.20 107.51 2dtd s ILE 83 Ca 0.09 -1.74 -0.09 0.00 -0.26 0.00 0.00 60.65 58.65 2dtd s ILE 83 Cb -0.05 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.66 2dtd s ILE 83 CO 0.02 -0.33 0.35 -0.70 0.24 0.00 0.00 174.94 174.53 2dtd s GLU 84 N -4.04 0.34 0.07 0.37 2.12 -1.26 -4.92 118.70 111.38 2dtd s GLU 84 Ca 0.24 0.66 0.03 0.00 0.36 0.00 0.00 54.97 56.27 2dtd s GLU 84 Cb 0.06 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.40 2dtd s GLU 84 CO 0.03 -0.14 -0.10 0.45 -0.54 0.00 0.00 175.26 174.96 2dtd s SER 85 N 1.14 1.29 0.17 -1.70 0.15 -1.26 -5.14 113.70 108.36 2dtd s SER 85 Ca -0.08 -0.68 0.07 0.00 0.70 0.00 0.00 55.95 55.96 2dtd s SER 85 Cb -0.08 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.20 2dtd s SER 85 CO -0.09 -0.20 -0.00 -0.31 1.20 0.00 0.00 173.24 173.83 2dtd s TYR 86 N -1.83 2.86 0.00 3.44 2.02 -1.26 -4.80 117.35 117.78 2dtd s TYR 86 Ca -0.02 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 2dtd s TYR 86 Cb -0.07 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 2dtd s TYR 86 CO 0.01 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 2dtd n GLY 87 N -0.06 4.02 3.77 0.71 0.00 0.11 -4.89 105.19 108.86 2dtd n GLY 87 Ca -0.10 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2dtd n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dtd s LYS 88 N -2.50 3.20 0.54 1.61 2.47 -1.26 -4.35 119.74 119.45 2dtd s LYS 88 Ca 0.00 1.60 0.29 0.00 -1.56 0.00 0.00 55.97 56.30 2dtd s LYS 88 Cb 0.00 -1.99 1.45 0.00 -1.46 0.00 0.00 37.83 35.84 2dtd s LYS 88 CO 0.00 -0.97 1.93 0.97 0.16 0.00 0.00 175.35 177.44 2dtd h ILE 89 N 0.95 0.61 0.00 5.43 2.10 -1.96 0.35 117.51 124.98 2dtd h ILE 89 Ca -0.49 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.38 2dtd h ILE 89 Cb 1.26 0.62 -0.01 0.00 -1.09 0.00 0.00 36.82 37.61 2dtd h ILE 89 CO 0.56 0.00 -0.35 -0.33 -1.08 0.00 0.00 178.15 176.95 2dtd h GLU 90 N 0.00 0.00 0.00 2.19 4.39 -2.01 -3.37 114.58 115.77 2dtd h GLU 90 Ca 0.35 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.69 2dtd h GLU 90 Cb 1.43 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.02 2dtd h GLU 90 CO -0.00 0.27 -2.37 -1.13 -1.16 0.00 0.00 179.01 174.62 2dtd n SER 91 N -3.14 1.39 -4.72 1.42 3.41 -0.02 -4.93 113.62 107.03 2dtd n SER 91 Ca 0.02 -0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.13 2dtd n SER 91 Cb 0.65 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.70 2dtd n SER 91 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2dtd s MET 92 N -2.48 4.34 0.72 4.33 -2.45 -0.44 -4.96 119.30 118.36 2dtd s MET 92 Ca -0.24 2.07 -0.15 0.00 -1.25 0.00 0.00 55.69 56.12 2dtd s MET 92 Cb 0.07 -3.23 0.04 0.00 1.25 0.00 0.00 34.83 32.96 2dtd s MET 92 CO 0.65 -0.37 1.20 -1.54 1.05 0.00 0.00 175.02 176.01 2dtd s SER 93 N 0.82 4.28 0.35 1.11 1.04 -1.26 -4.84 113.70 115.21 2dtd s SER 93 Ca 0.62 2.33 0.05 0.00 0.48 0.00 0.00 55.95 59.42 2dtd s SER 93 Cb -0.37 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 63.83 2dtd s SER 93 CO 0.33 -2.20 1.92 0.24 0.98 0.00 0.00 173.24 174.51 2dtd h MET 94 N -0.25 0.53 -0.18 4.02 0.00 -1.93 -2.11 114.93 115.01 2dtd h MET 94 Ca -0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 59.70 59.13 2dtd h MET 94 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 31.60 32.79 2dtd h MET 94 CO 0.50 0.51 0.11 0.78 0.00 0.00 0.00 176.91 178.81 2dtd h GLY 95 N 0.77 0.27 1.06 8.32 0.00 -1.99 0.41 103.07 111.91 2dtd h GLY 95 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 2dtd h GLY 95 CO -0.00 0.11 0.01 -2.09 0.00 0.00 0.00 176.54 174.57 2dtd h GLU 96 N 0.21 1.01 -0.03 4.80 4.57 -1.87 0.73 114.58 124.00 2dtd h GLU 96 Ca 0.07 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2dtd h GLU 96 Cb 0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2dtd h GLU 96 CO -0.01 1.00 -0.05 2.35 -1.18 0.00 0.00 179.01 181.12 2dtd h TRP 97 N 0.90 -0.11 -0.39 0.92 7.01 -1.20 -1.60 115.95 121.47 2dtd h TRP 97 Ca 0.16 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.12 2dtd h TRP 97 Cb 0.54 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 2dtd h TRP 97 CO 0.04 -0.08 0.04 -0.09 -2.79 0.00 0.00 178.44 175.57 2dtd h ARG 98 N -0.07 0.60 -0.12 2.65 2.43 -0.70 -2.36 114.38 116.81 2dtd h ARG 98 Ca 0.03 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2dtd h ARG 98 Cb 0.11 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2dtd h ARG 98 CO -0.08 0.59 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.70 2dtd h ARG 99 N 0.58 0.20 -0.45 0.20 2.43 -0.19 -0.42 114.38 116.72 2dtd h ARG 99 Ca 0.13 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2dtd h ARG 99 Cb 0.30 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2dtd h ARG 99 CO 0.01 0.38 -0.22 0.82 -1.51 0.00 0.00 179.97 179.45 2dtd h ILE 100 N 0.19 1.27 -0.49 1.20 2.04 -0.77 -2.35 117.51 118.60 2dtd h ILE 100 Ca 0.04 -1.38 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 2dtd h ILE 100 Cb 0.44 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2dtd h ILE 100 CO 0.03 0.47 -0.07 0.40 0.00 0.00 0.00 178.15 178.98 2dtd h ILE 101 N 0.79 1.26 -0.02 -0.67 1.08 -1.25 -0.89 117.51 117.81 2dtd h ILE 101 Ca 0.10 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 2dtd h ILE 101 Cb 0.79 0.96 -0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2dtd h ILE 101 CO 0.07 0.40 -0.01 0.44 -0.69 0.00 0.00 178.15 178.36 2dtd h ASP 102 N 0.79 -0.02 0.15 1.72 3.45 -0.89 0.37 116.42 121.98 2dtd h ASP 102 Ca 0.14 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 2dtd h ASP 102 Cb 0.57 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 2dtd h ASP 102 CO 0.03 -0.01 -0.07 0.58 -1.57 0.00 0.00 179.24 178.20 2dtd h VAL 103 N 0.00 0.88 -0.09 -1.35 2.07 -1.38 -1.10 116.25 115.28 2dtd h VAL 103 Ca 0.01 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 2dtd h VAL 103 Cb 0.02 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2dtd h VAL 103 CO -0.02 0.23 -0.27 0.78 0.02 0.00 0.00 177.57 178.30 2dtd h ASN 104 N -0.85 0.15 0.00 0.57 4.21 -1.20 -3.08 115.58 115.38 2dtd h ASN 104 Ca -0.02 -0.05 -0.06 0.00 1.21 0.00 0.00 56.30 57.39 2dtd h ASN 104 Cb 0.53 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2dtd h ASN 104 CO 0.03 0.43 -0.77 -0.11 -1.29 0.00 0.00 177.43 175.73 2dtd n LEU 105 N -4.16 1.27 0.14 1.61 7.94 0.07 -4.54 117.00 119.33 2dtd n LEU 105 Ca -0.01 0.20 0.05 0.00 -1.11 0.00 0.00 56.01 55.13 2dtd n LEU 105 Cb 0.36 -0.46 0.49 0.00 0.53 0.00 0.00 43.42 44.34 2dtd n LEU 105 CO 0.39 -0.33 1.02 -0.26 -1.11 0.00 0.00 177.39 177.11 2dtd h PHE 106 N -0.42 0.22 -0.73 1.96 0.04 -1.16 -0.93 116.94 115.93 2dtd h PHE 106 Ca -0.09 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 2dtd h PHE 106 Cb 0.66 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 2dtd h PHE 106 CO -0.14 0.22 0.37 0.78 -0.60 0.00 0.00 178.31 178.95 2dtd h GLY 107 N 0.43 1.10 1.09 -1.45 0.00 -1.11 0.19 103.07 103.32 2dtd h GLY 107 Ca 0.06 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.70 2dtd h GLY 107 CO -0.00 0.49 -0.54 -0.97 0.00 0.00 0.00 176.54 175.52 2dtd h TYR 108 N 1.03 1.01 -0.41 5.60 -1.99 -1.44 -2.37 116.97 118.40 2dtd h TYR 108 Ca 0.26 -0.38 -0.01 0.00 2.00 0.00 0.00 58.73 60.60 2dtd h TYR 108 Cb 0.07 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 2dtd h TYR 108 CO 0.01 1.19 0.22 -0.92 -0.00 0.00 0.00 178.16 178.66 2dtd h TYR 109 N 0.54 0.57 0.21 4.88 5.03 -0.63 -1.63 116.97 125.94 2dtd h TYR 109 Ca 0.00 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2dtd h TYR 109 Cb 1.15 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.25 2dtd h TYR 109 CO 0.08 0.44 -0.10 1.88 -1.32 0.00 0.00 178.16 179.14 2dtd h TYR 110 N 0.52 -0.26 -0.62 -3.82 0.05 -0.65 0.25 116.97 112.44 2dtd h TYR 110 Ca 0.14 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.96 2dtd h TYR 110 Cb 0.07 0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.85 2dtd h TYR 110 CO -0.02 -0.03 0.37 0.00 -1.05 0.00 0.00 178.16 177.43 2dtd h ALA 111 N 0.30 0.82 -0.10 3.88 0.00 -1.43 -2.37 119.26 120.35 2dtd h ALA 111 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dtd h ALA 111 Cb 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dtd h ALA 111 CO 0.05 0.08 0.03 0.77 0.00 0.00 0.00 179.25 180.18 2dtd h SER 112 N 0.70 0.15 -0.98 0.00 0.02 -1.23 -1.79 113.55 110.42 2dtd h SER 112 Ca 0.26 -0.20 0.11 0.00 -0.84 0.00 0.00 61.79 61.13 2dtd h SER 112 Cb 0.09 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.51 2dtd h SER 112 CO -0.13 0.31 0.61 0.50 -1.14 0.00 0.00 176.83 176.97 2dtd h LYS 113 N -0.02 0.95 0.00 3.45 3.64 -0.71 -1.43 116.57 122.45 2dtd h LYS 113 Ca 0.03 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 2dtd h LYS 113 Cb 0.21 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2dtd h LYS 113 CO -0.00 0.63 -1.26 0.74 -2.27 0.00 0.00 179.45 177.28 2dtd h PHE 114 N 0.97 0.00 0.13 1.91 -1.00 -1.41 -3.38 116.94 114.17 2dtd h PHE 114 Ca 0.48 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.97 2dtd h PHE 114 Cb 0.45 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.01 2dtd h PHE 114 CO -0.01 0.53 -1.39 0.00 -1.61 0.00 0.00 178.31 175.83 2dtd h ALA 115 N 1.47 0.17 -0.38 2.45 0.00 -1.14 -3.39 119.26 118.45 2dtd h ALA 115 Ca -0.13 -0.99 0.08 0.00 0.00 0.00 0.00 54.91 53.87 2dtd h ALA 115 Cb 1.52 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.37 2dtd h ALA 115 CO 0.05 1.05 -0.18 0.82 0.00 0.00 0.00 179.25 180.99 2dtd h ILE 116 N 0.07 0.46 -0.97 0.00 2.04 -1.43 0.10 117.51 117.79 2dtd h ILE 116 Ca -0.19 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.88 2dtd h ILE 116 Cb 2.00 0.46 -0.09 0.00 -0.74 0.00 0.00 36.82 38.46 2dtd h ILE 116 CO 0.19 0.00 0.62 -0.65 0.00 0.00 0.00 178.15 178.31 2dtd h PRO 117 N -0.11 0.53 0.10 2.37 0.11 -1.78 -0.37 132.00 132.85 2dtd h PRO 117 Ca 0.19 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.04 2dtd h PRO 117 Cb 0.40 -0.12 0.02 0.00 0.11 0.00 0.00 31.00 31.41 2dtd h PRO 117 CO -0.45 0.35 -0.93 1.88 -0.21 0.00 0.00 178.00 178.64 2dtd h TYR 118 N 0.54 0.75 -0.92 0.65 0.99 -1.52 -3.34 116.97 114.11 2dtd h TYR 118 Ca 0.54 -0.48 0.06 0.00 2.00 0.00 0.00 58.73 60.84 2dtd h TYR 118 Cb 1.14 -0.06 -0.06 0.00 1.00 0.00 0.00 36.73 38.75 2dtd h TYR 118 CO -0.00 1.34 0.59 0.52 -0.00 0.00 0.00 178.16 180.60 2dtd h MET 119 N -0.05 1.06 0.00 4.88 2.86 0.59 -0.26 114.93 124.01 2dtd h MET 119 Ca -0.15 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2dtd h MET 119 Cb 1.67 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2dtd h MET 119 CO 0.18 0.70 0.00 0.44 1.06 0.00 0.00 176.91 179.29 2dtd n ILE 120 N -4.55 0.05 1.27 -1.22 -5.35 -0.29 -1.12 119.36 108.15 2dtd n ILE 120 Ca 0.13 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.75 2dtd n ILE 120 Cb 0.16 -0.80 0.33 0.00 -1.74 0.00 0.00 39.64 37.59 2dtd n ILE 120 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2dtd n ARG 121 N -1.02 1.63 -3.91 6.28 1.74 -0.11 -4.91 116.66 116.37 2dtd n ARG 121 Ca 0.10 -1.13 -0.24 0.00 -0.77 0.00 0.00 57.85 55.81 2dtd n ARG 121 Cb 0.05 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 2dtd n ARG 121 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dtd s SER 122 N -2.15 4.66 -0.15 0.55 0.01 -0.27 -5.07 113.70 111.28 2dtd s SER 122 Ca 0.31 -1.04 -0.27 0.00 1.31 0.00 0.00 55.95 56.26 2dtd s SER 122 Cb 0.20 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2dtd s SER 122 CO 0.39 -0.74 0.91 -0.13 0.41 0.00 0.00 173.24 174.08 2dtd s ARG 123 N -4.07 4.34 -0.90 12.44 1.81 -1.26 -4.39 118.95 126.91 2dtd s ARG 123 Ca 0.40 1.18 -0.07 0.00 -1.72 0.00 0.00 55.73 55.52 2dtd s ARG 123 Cb 0.00 -3.57 0.01 0.00 -0.45 0.00 0.00 34.95 30.94 2dtd s ARG 123 CO 0.23 -0.35 0.62 -0.25 -0.68 0.00 0.00 175.30 174.88 2dtd n ASP 124 N 5.24 -4.81 -4.81 0.23 8.00 -1.26 -4.93 116.55 114.21 2dtd n ASP 124 Ca 0.07 -1.01 -0.31 0.00 0.71 0.00 0.00 54.79 54.25 2dtd n ASP 124 Cb 0.48 -1.80 0.06 0.00 -0.02 0.00 0.00 41.12 39.85 2dtd n ASP 124 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2dtd s PRO 125 N -5.37 2.74 -0.07 -0.24 0.04 -1.25 -4.95 135.00 125.91 2dtd s PRO 125 Ca 0.10 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.05 2dtd s PRO 125 Cb -0.05 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2dtd s PRO 125 CO 0.91 -1.25 0.22 0.45 0.04 0.00 0.00 177.00 177.37 2dtd s SER 126 N -3.71 -0.20 -0.04 6.66 0.15 0.47 -2.58 113.70 114.46 2dtd s SER 126 Ca 0.59 0.34 0.06 0.00 0.70 0.00 0.00 55.95 57.64 2dtd s SER 126 Cb -0.15 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2dtd s SER 126 CO 0.55 -0.15 -0.23 -0.63 1.20 0.00 0.00 173.24 173.99 2dtd s ILE 127 N -0.19 1.82 -0.12 6.45 1.01 -0.41 -1.99 121.20 127.77 2dtd s ILE 127 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2dtd s ILE 127 Cb -0.03 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2dtd s ILE 127 CO 0.01 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.66 2dtd s VAL 128 N -0.29 1.27 -0.19 2.92 1.01 -0.47 -1.76 120.40 122.90 2dtd s VAL 128 Ca 0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2dtd s VAL 128 Cb -0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2dtd s VAL 128 CO 0.01 0.41 0.08 0.20 0.00 0.00 0.00 175.10 175.80 2dtd s ASN 129 N 1.48 5.78 -0.41 3.32 0.01 0.20 -1.44 114.94 123.87 2dtd s ASN 129 Ca 0.02 0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 52.06 2dtd s ASN 129 Cb -0.13 -2.00 0.02 0.00 0.41 0.00 0.00 41.25 39.55 2dtd s ASN 129 CO -0.07 0.17 0.78 -0.63 -1.51 0.00 0.00 177.10 175.83 2dtd s ILE 130 N 0.40 4.69 0.00 0.60 -1.09 -0.15 -0.98 121.20 124.67 2dtd s ILE 130 Ca 0.04 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 2dtd s ILE 130 Cb -0.12 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 2dtd s ILE 130 CO -0.00 -0.57 0.00 -0.24 -1.23 0.00 0.00 174.94 172.89 2dtd n SER 131 N 6.56 0.00 -3.57 3.58 2.88 0.54 -4.87 113.62 118.75 2dtd n SER 131 Ca 0.02 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.51 2dtd n SER 131 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 2dtd n SER 131 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dtd s SER 132 N -0.98 -0.22 0.61 -3.46 0.15 -1.25 -4.58 113.70 103.97 2dtd s SER 132 Ca 0.00 -0.02 0.39 0.00 0.70 0.00 0.00 55.95 57.02 2dtd s SER 132 Cb 0.00 0.25 1.92 0.00 -1.71 0.00 0.00 66.02 66.48 2dtd s SER 132 CO 0.00 -0.40 2.19 1.62 1.20 0.00 0.00 173.24 177.84 2dtd h VAL 133 N 2.00 0.02 0.00 4.45 3.04 -1.17 -1.72 116.25 122.87 2dtd h VAL 133 Ca -0.16 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2dtd h VAL 133 Cb 1.20 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2dtd h VAL 133 CO 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.82 2dtd n GLN 134 N -3.10 0.80 0.00 4.17 6.02 -1.23 -1.12 117.38 122.93 2dtd n GLN 134 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 2dtd n GLN 134 Cb 0.18 -1.14 0.43 0.00 1.02 0.00 0.00 30.24 30.73 2dtd n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dtd n ALA 135 N -0.29 2.96 0.01 -1.58 0.00 -0.65 -4.56 120.51 116.41 2dtd n ALA 135 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2dtd n ALA 135 Cb 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2dtd n ALA 135 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dtd n SER 136 N -1.48 0.15 -4.63 0.00 7.64 -0.27 -4.87 113.62 110.16 2dtd n SER 136 Ca 0.06 0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.65 2dtd n SER 136 Cb 0.34 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.41 2dtd n SER 136 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2dtd s ILE 137 N -1.20 4.75 0.40 0.44 -4.36 -0.96 -5.10 121.20 115.17 2dtd s ILE 137 Ca 0.00 -0.05 0.07 0.00 -0.26 0.00 0.00 60.65 60.42 2dtd s ILE 137 Cb 0.00 -3.14 -0.06 0.00 1.25 0.00 0.00 42.46 40.51 2dtd s ILE 137 CO 0.00 0.46 0.09 0.27 0.24 0.00 0.00 174.94 176.00 2dtd s ILE 138 N 0.40 2.24 0.27 8.37 -4.36 -1.26 -3.47 121.20 123.39 2dtd s ILE 138 Ca 0.03 -1.86 0.08 0.00 -0.26 0.00 0.00 60.65 58.64 2dtd s ILE 138 Cb -0.12 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.59 2dtd s ILE 138 CO 0.00 -0.03 0.16 0.42 0.24 0.00 0.00 174.94 175.73 2dtd s THR 139 N -2.63 4.02 0.52 8.37 -4.23 -1.26 -5.11 115.64 115.32 2dtd s THR 139 Ca 0.38 -1.54 -0.17 0.00 -1.18 0.00 0.00 61.69 59.18 2dtd s THR 139 Cb 0.05 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.60 2dtd s THR 139 CO 0.20 -0.32 1.00 -0.75 -0.54 0.00 0.00 174.62 174.21 2dtd s LYS 140 N -3.82 3.82 -1.47 3.99 2.20 -1.26 -3.97 119.74 119.23 2dtd s LYS 140 Ca 0.34 1.08 -0.11 0.00 -0.36 0.00 0.00 55.97 56.91 2dtd s LYS 140 Cb -0.07 -2.11 0.07 0.00 -1.51 0.00 0.00 37.83 34.21 2dtd s LYS 140 CO 0.24 -0.39 0.79 0.09 -0.36 0.00 0.00 175.35 175.72 2dtd n ASN 141 N -1.51 -4.73 -1.99 1.43 3.02 -1.26 -4.87 115.26 105.36 2dtd n ASN 141 Ca 0.07 -0.59 -0.03 0.00 -0.03 0.00 0.00 54.58 54.00 2dtd n ASN 141 Cb 0.54 -3.81 0.06 0.00 -0.61 0.00 0.00 39.78 35.95 2dtd n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dtd n ALA 142 N -4.19 3.21 -0.22 5.41 0.00 -1.25 -0.71 120.51 122.76 2dtd n ALA 142 Ca 0.01 -2.95 -0.12 0.00 0.00 0.00 0.00 53.44 50.37 2dtd n ALA 142 Cb 0.54 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 2dtd n ALA 142 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dtd h SER 143 N 1.87 -1.83 -0.47 0.00 0.87 -1.87 0.13 113.55 112.24 2dtd h SER 143 Ca -0.03 0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2dtd h SER 143 Cb 1.45 0.78 -0.02 0.00 -0.44 0.00 0.00 62.40 64.17 2dtd h SER 143 CO 0.26 -0.35 0.29 0.00 -0.53 0.00 0.00 176.83 176.50 2dtd h ALA 144 N 0.25 0.60 0.38 6.23 0.00 -1.90 -0.50 119.26 124.33 2dtd h ALA 144 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dtd h ALA 144 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dtd h ALA 144 CO -0.70 0.09 -0.18 -0.92 0.00 0.00 0.00 179.25 177.54 2dtd h TYR 145 N 0.63 -0.48 -0.69 0.00 3.20 -1.74 0.04 116.97 117.94 2dtd h TYR 145 Ca 0.17 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 2dtd h TYR 145 Cb -0.01 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 2dtd h TYR 145 CO -0.03 -0.30 0.42 0.28 -1.64 0.00 0.00 178.16 176.89 2dtd h VAL 146 N -0.51 1.05 -0.33 1.81 2.07 -0.71 -0.45 116.25 119.18 2dtd h VAL 146 Ca -0.05 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2dtd h VAL 146 Cb 0.39 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2dtd h VAL 146 CO 0.08 0.15 0.19 0.74 0.02 0.00 0.00 177.57 178.75 2dtd h THR 147 N 0.80 1.13 -0.76 2.57 2.02 -0.90 -2.09 112.91 115.69 2dtd h THR 147 Ca 0.29 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2dtd h THR 147 Cb 0.07 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2dtd h THR 147 CO -0.13 0.13 0.42 0.77 0.37 0.00 0.00 175.52 177.08 2dtd h SER 148 N 0.42 0.95 0.14 4.18 4.64 -0.33 -1.25 113.55 122.30 2dtd h SER 148 Ca 0.12 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 2dtd h SER 148 Cb 0.05 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 2dtd h SER 148 CO -0.02 0.77 -0.28 0.11 -0.87 0.00 0.00 176.83 176.54 2dtd h LYS 149 N 1.05 0.23 -0.23 4.77 1.79 -0.86 -0.71 116.57 122.60 2dtd h LYS 149 Ca 0.27 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.55 2dtd h LYS 149 Cb 0.03 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2dtd h LYS 149 CO -0.04 0.50 -0.26 0.45 -1.08 0.00 0.00 179.45 179.01 2dtd h HIS 150 N 0.21 0.72 -0.88 -1.35 3.86 -1.05 -3.08 115.15 113.58 2dtd h HIS 150 Ca 0.03 -0.22 0.06 0.00 -1.16 0.00 0.00 60.37 59.08 2dtd h HIS 150 Cb 0.61 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.87 2dtd h HIS 150 CO 0.01 0.94 0.55 0.00 0.86 0.00 0.00 177.93 180.28 2dtd h ALA 151 N 0.66 1.21 -0.75 2.45 0.00 -0.79 -1.38 119.26 120.66 2dtd h ALA 151 Ca 0.03 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2dtd h ALA 151 Cb 0.83 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2dtd h ALA 151 CO 0.06 0.29 0.49 0.28 0.00 0.00 0.00 179.25 180.38 2dtd h VAL 152 N 0.99 1.06 -0.73 0.00 2.07 -1.06 -0.15 116.25 118.42 2dtd h VAL 152 Ca 0.39 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 2dtd h VAL 152 Cb 0.18 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2dtd h VAL 152 CO -0.18 0.15 0.24 0.40 0.02 0.00 0.00 177.57 178.20 2dtd h ILE 153 N 0.83 1.26 -0.42 4.57 1.08 -1.18 -0.73 117.51 122.92 2dtd h ILE 153 Ca 0.32 -0.89 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 2dtd h ILE 153 Cb 0.18 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 2dtd h ILE 153 CO -0.10 0.35 0.10 1.23 -0.69 0.00 0.00 178.15 179.03 2dtd h GLY 154 N 1.08 0.73 1.01 5.37 0.00 -0.76 -1.81 103.07 108.69 2dtd h GLY 154 Ca 0.24 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2dtd h GLY 154 CO -0.01 0.43 0.51 -2.00 0.00 0.00 0.00 176.54 175.48 2dtd h LEU 155 N 0.55 1.01 -0.29 3.11 5.85 -0.97 -1.81 115.31 122.76 2dtd h LEU 155 Ca 0.13 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2dtd h LEU 155 Cb 0.33 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2dtd h LEU 155 CO 0.00 0.78 0.18 0.74 -0.34 0.00 0.00 178.44 179.80 2dtd h THR 156 N 1.16 1.09 -0.34 1.05 2.02 -0.83 -1.07 112.91 115.99 2dtd h THR 156 Ca 0.30 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2dtd h THR 156 Cb -0.05 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2dtd h THR 156 CO -0.06 0.09 0.17 0.11 0.37 0.00 0.00 175.52 176.20 2dtd h LYS 157 N 0.37 0.49 0.17 6.66 1.57 -1.15 -1.50 116.57 123.19 2dtd h LYS 157 Ca 0.10 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2dtd h LYS 157 Cb -0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2dtd h LYS 157 CO -0.02 0.45 -0.24 0.77 -0.57 0.00 0.00 179.45 179.84 2dtd h SER 158 N 0.42 -0.65 -0.69 0.86 0.02 -1.13 0.17 113.55 112.55 2dtd h SER 158 Ca 0.12 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2dtd h SER 158 Cb 0.11 0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 2dtd h SER 158 CO -0.02 -0.33 0.41 0.40 -1.14 0.00 0.00 176.83 176.15 2dtd h ILE 159 N -0.47 1.05 -0.23 3.27 2.04 -1.16 0.34 117.51 122.34 2dtd h ILE 159 Ca 0.01 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.61 2dtd h ILE 159 Cb 0.46 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2dtd h ILE 159 CO -0.10 0.14 0.13 0.00 0.00 0.00 0.00 178.15 178.33 2dtd h ALA 160 N 1.32 0.29 -0.28 1.87 0.00 -0.80 -1.81 119.26 119.84 2dtd h ALA 160 Ca 0.29 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 2dtd h ALA 160 Cb 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dtd h ALA 160 CO -0.13 -0.27 -0.49 1.25 0.00 0.00 0.00 179.25 179.61 2dtd h LEU 161 N 0.27 0.83 -1.02 0.00 5.85 -0.25 -2.33 115.31 118.66 2dtd h LEU 161 Ca 0.09 -0.42 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 2dtd h LEU 161 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2dtd h LEU 161 CO -0.05 1.18 -0.36 0.44 -0.34 0.00 0.00 178.44 179.31 2dtd h ASP 162 N 0.60 0.26 -0.07 1.25 5.19 -0.16 -3.33 116.42 120.16 2dtd h ASP 162 Ca 0.03 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2dtd h ASP 162 Cb 1.06 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2dtd h ASP 162 CO 0.10 0.60 0.00 -1.22 -3.12 0.00 0.00 179.24 175.60 2dtd n TYR 163 N -4.07 0.08 -2.08 4.55 4.02 -0.70 -5.01 117.16 113.95 2dtd n TYR 163 Ca -0.01 -0.12 -0.36 0.00 -0.01 0.00 0.00 57.90 57.39 2dtd n TYR 163 Cb 0.44 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.77 2dtd n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dtd s ALA 164 N -0.73 2.72 -2.53 -0.72 0.00 -0.88 -1.75 121.76 117.87 2dtd s ALA 164 Ca 0.11 1.01 0.27 0.00 0.00 0.00 0.00 51.96 53.34 2dtd s ALA 164 Cb 0.07 -3.44 0.78 0.00 0.00 0.00 0.00 23.12 20.53 2dtd s ALA 164 CO 0.10 -1.00 1.59 -0.35 0.00 0.00 0.00 175.76 176.09 2dtd n PRO 165 N -1.18 1.72 -0.10 0.00 -0.04 -1.26 -4.87 135.00 129.27 2dtd n PRO 165 Ca 0.11 -1.15 -0.08 0.00 -0.04 0.00 0.00 63.50 62.34 2dtd n PRO 165 Cb 0.49 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 2dtd n PRO 165 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dtd h LEU 166 N 2.80 0.35 -8.19 1.53 3.38 -1.76 -3.44 115.31 109.98 2dtd h LEU 166 Ca 0.00 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2dtd h LEU 166 Cb 0.63 -0.08 -0.28 0.00 0.09 0.00 0.00 40.66 41.02 2dtd h LEU 166 CO 0.00 0.25 -0.80 -0.22 0.09 0.00 0.00 178.44 177.76 2dtd s LEU 167 N -10.19 2.05 0.10 1.67 0.20 -0.83 -3.81 118.68 107.89 2dtd s LEU 167 Ca -0.13 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.45 2dtd s LEU 167 Cb 0.10 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 45.17 2dtd s LEU 167 CO 0.71 0.13 0.13 -0.13 -0.29 0.00 0.00 176.35 176.91 2dtd s ARG 168 N -0.46 3.02 -0.09 1.98 0.52 -1.07 -3.71 118.95 119.14 2dtd s ARG 168 Ca 0.04 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.52 2dtd s ARG 168 Cb -0.05 -2.77 0.05 0.00 0.52 0.00 0.00 34.95 32.69 2dtd s ARG 168 CO -0.00 0.55 0.19 0.00 0.02 0.00 0.00 175.30 176.06 2dtd s ASN 170 N 1.99 0.62 0.23 0.00 0.01 -0.72 -0.22 114.94 116.85 2dtd s ASN 170 Ca -0.01 -1.41 0.07 0.00 -0.71 0.00 0.00 52.86 50.80 2dtd s ASN 170 Cb -0.12 0.31 -0.05 0.00 0.41 0.00 0.00 41.25 41.80 2dtd s ASN 170 CO -0.07 -0.81 -0.10 0.00 -1.51 0.00 0.00 177.10 174.61 2dtd s ALA 171 N -3.97 2.04 -0.07 0.60 0.00 0.14 -0.63 121.76 119.87 2dtd s ALA 171 Ca 0.38 -1.73 0.05 0.00 0.00 0.00 0.00 51.96 50.66 2dtd s ALA 171 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2dtd s ALA 171 CO 0.13 -0.03 -0.23 0.08 0.00 0.00 0.00 175.76 175.71 2dtd s VAL 172 N -3.07 1.96 -0.75 0.00 1.01 -0.15 -0.73 120.40 118.67 2dtd s VAL 172 Ca 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2dtd s VAL 172 Cb 0.02 -1.68 0.19 0.00 0.00 0.00 0.00 36.38 34.90 2dtd s VAL 172 CO 0.08 0.54 0.58 0.00 0.00 0.00 0.00 175.10 176.31 2dtd s PRO 174 N -0.99 4.65 0.00 0.00 0.02 -1.26 -1.73 135.00 135.69 2dtd s PRO 174 Ca 0.23 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2dtd s PRO 174 Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2dtd s PRO 174 CO -0.10 0.26 0.00 0.00 -0.33 0.00 0.00 177.00 176.83 2dtd n ALA 175 N 1.11 0.00 -2.44 -1.55 0.00 -0.88 -0.96 120.51 115.80 2dtd n ALA 175 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2dtd n ALA 175 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 2dtd n ALA 175 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dtd s THR 176 N 2.82 4.29 0.07 0.00 2.01 -1.26 -4.86 115.64 118.71 2dtd s THR 176 Ca 0.00 1.57 0.10 0.00 0.31 0.00 0.00 61.69 63.67 2dtd s THR 176 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2dtd s THR 176 CO 0.00 -0.12 -0.26 -0.63 -0.69 0.00 0.00 174.62 172.91 2dtd s ILE 177 N 3.36 2.16 -0.87 1.82 -1.09 -1.26 -0.01 121.20 125.31 2dtd s ILE 177 Ca 0.54 -1.51 -0.25 0.00 -2.23 0.00 0.00 60.65 57.21 2dtd s ILE 177 Cb -0.22 -1.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 2dtd s ILE 177 CO 0.15 0.26 1.64 -0.62 -1.23 0.00 0.00 174.94 175.14 2dtd s ASP 178 N -1.51 5.83 0.24 3.58 -1.08 0.95 -4.68 116.67 120.00 2dtd s ASP 178 Ca 0.12 -0.75 0.01 0.00 -0.52 0.00 0.00 52.55 51.41 2dtd s ASP 178 Cb -0.10 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.76 2dtd s ASP 178 CO 0.03 -2.09 0.11 0.42 0.52 0.00 0.00 175.17 174.17 2dtd s THR 179 N 7.33 0.36 0.25 1.71 -4.23 -1.26 -4.47 115.64 115.33 2dtd s THR 179 Ca 0.55 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2dtd s THR 179 Cb -0.06 -2.59 0.19 0.00 1.34 0.00 0.00 72.50 71.39 2dtd s THR 179 CO 0.02 0.00 1.84 -0.65 -0.54 0.00 0.00 174.62 175.29 2dtd h PRO 180 N 2.45 1.13 -0.41 3.99 0.11 -1.97 -0.70 132.00 136.59 2dtd h PRO 180 Ca -0.37 -0.17 0.03 0.00 0.11 0.00 0.00 66.00 65.60 2dtd h PRO 180 Cb 1.25 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 2dtd h PRO 180 CO 0.58 0.88 0.21 1.25 -0.21 0.00 0.00 178.00 180.70 2dtd h LEU 181 N 1.12 0.30 -0.45 2.35 6.46 -1.97 0.17 115.31 123.30 2dtd h LEU 181 Ca 0.27 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.95 2dtd h LEU 181 Cb 0.13 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 2dtd h LEU 181 CO -0.03 0.22 -0.10 0.58 -0.62 0.00 0.00 178.44 178.48 2dtd h VAL 182 N 0.42 1.27 -0.86 1.05 2.07 -1.75 0.74 116.25 119.19 2dtd h VAL 182 Ca 0.18 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2dtd h VAL 182 Cb 0.08 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2dtd h VAL 182 CO -0.12 0.42 0.55 0.03 0.02 0.00 0.00 177.57 178.46 2dtd h ARG 183 N 0.70 1.15 -0.61 1.57 2.47 -0.78 -1.06 114.38 117.82 2dtd h ARG 183 Ca 0.11 -0.09 -0.08 0.00 -1.26 0.00 0.00 59.98 58.67 2dtd h ARG 183 Cb 0.64 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2dtd h ARG 183 CO 0.04 0.79 0.07 -0.22 0.56 0.00 0.00 179.97 181.21 2dtd h LYS 184 N 1.18 1.02 -0.83 0.04 3.11 -0.33 0.32 116.57 121.07 2dtd h LYS 184 Ca 0.31 -0.27 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2dtd h LYS 184 Cb -0.09 -0.12 -0.04 0.00 -1.00 0.00 0.00 32.23 30.98 2dtd h LYS 184 CO -0.06 0.95 0.44 0.00 -2.81 0.00 0.00 179.45 177.97 2dtd h ALA 185 N 1.12 1.22 -0.15 5.00 0.00 -0.07 -0.62 119.26 125.76 2dtd h ALA 185 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2dtd h ALA 185 Cb 0.45 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2dtd h ALA 185 CO 0.02 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.82 2dtd h ALA 186 N 1.32 0.21 -0.97 0.00 0.00 -0.75 -3.03 119.26 116.04 2dtd h ALA 186 Ca 0.29 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2dtd h ALA 186 Cb 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2dtd h ALA 186 CO -0.04 0.01 0.62 1.49 0.00 0.00 0.00 179.25 181.32 2dtd h GLU 187 N -0.02 0.91 0.00 0.00 4.81 -0.47 0.32 114.58 120.13 2dtd h GLU 187 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2dtd h GLU 187 Cb 0.53 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2dtd h GLU 187 CO 0.02 0.60 0.00 1.28 -0.73 0.00 0.00 179.01 180.18 2dtd n LEU 188 N -4.59 0.45 -0.07 1.64 4.77 -0.28 -0.68 117.00 118.25 2dtd n LEU 188 Ca 0.18 0.70 -0.09 0.00 -0.03 0.00 0.00 56.01 56.77 2dtd n LEU 188 Cb 0.36 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 2dtd n LEU 188 CO 0.28 -0.83 -0.94 -0.62 -1.33 0.00 0.00 177.39 173.95 2dtd n GLU 189 N -2.10 0.70 0.00 3.23 1.02 0.91 -4.85 120.64 119.55 2dtd n GLU 189 Ca -0.01 0.06 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 2dtd n GLU 189 Cb 0.04 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2dtd n GLU 189 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2dtd n VAL 190 N -2.82 0.00 -0.66 2.62 0.24 0.12 -5.13 118.33 112.71 2dtd n VAL 190 Ca -0.24 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2dtd n VAL 190 Cb 0.78 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 2dtd n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dtd n GLY 191 N 0.25 -2.72 0.27 7.63 0.00 0.15 -4.58 105.19 106.19 2dtd n GLY 191 Ca 0.01 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.27 2dtd n GLY 191 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dtd n SER 192 N 0.02 0.83 -4.59 1.61 3.41 -1.26 -4.43 113.62 109.21 2dtd n SER 192 Ca 0.00 -1.30 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 2dtd n SER 192 Cb 0.00 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2dtd n SER 192 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dtd s ASP 193 N -1.96 5.57 0.57 4.04 -1.08 -1.26 -4.80 116.67 117.75 2dtd s ASP 193 Ca 0.41 1.47 0.28 0.00 -0.52 0.00 0.00 52.55 54.19 2dtd s ASP 193 Cb 0.21 -2.52 1.52 0.00 -1.46 0.00 0.00 42.92 40.67 2dtd s ASP 193 CO 0.34 -1.93 1.83 1.55 0.52 0.00 0.00 175.17 177.48 2dtd h PRO 194 N 14.36 0.00 0.11 4.34 0.13 -1.98 0.30 132.00 149.25 2dtd h PRO 194 Ca -0.35 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.54 2dtd h PRO 194 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dtd h PRO 194 CO 1.02 0.00 -1.19 1.98 -0.23 0.00 0.00 178.00 179.58 2dtd h MET 195 N 0.00 0.23 0.00 0.86 -1.53 -1.98 -2.74 114.93 109.77 2dtd h MET 195 Ca 0.00 -0.40 -0.11 0.00 -3.44 0.00 0.00 59.70 55.75 2dtd h MET 195 Cb 0.50 0.15 -0.02 0.00 -0.55 0.00 0.00 31.60 31.68 2dtd h MET 195 CO 0.00 1.19 -0.53 0.00 0.14 0.00 0.00 176.91 177.71 2dtd h ARG 196 N -0.39 0.00 -0.08 0.39 3.08 -1.27 -2.34 114.38 113.77 2dtd h ARG 196 Ca -0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 2dtd h ARG 196 Cb 1.67 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.73 2dtd h ARG 196 CO 0.07 0.53 -0.42 0.82 -1.07 0.00 0.00 179.97 179.90 2dtd h ILE 197 N 0.00 1.40 -0.06 2.04 2.04 -0.66 -2.20 117.51 120.07 2dtd h ILE 197 Ca -0.01 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 2dtd h ILE 197 Cb 1.07 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.43 2dtd h ILE 197 CO 0.07 0.53 0.01 -0.08 0.00 0.00 0.00 178.15 178.67 2dtd h GLU 198 N -0.03 0.08 -0.23 2.37 4.22 -1.41 -0.21 114.58 119.37 2dtd h GLU 198 Ca -0.03 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.30 2dtd h GLU 198 Cb 1.07 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2dtd h GLU 198 CO 0.09 0.09 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.52 2dtd h LYS 199 N 0.08 0.59 -0.55 1.92 3.64 -1.28 0.21 116.57 121.17 2dtd h LYS 199 Ca 0.02 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 2dtd h LYS 199 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2dtd h LYS 199 CO -0.00 0.92 0.17 -0.22 -2.27 0.00 0.00 179.45 178.05 2dtd h LYS 200 N 0.29 0.86 -0.24 1.90 1.63 -0.68 -0.56 116.57 119.76 2dtd h LYS 200 Ca 0.03 -0.18 -0.09 0.00 -0.85 0.00 0.00 60.65 59.56 2dtd h LYS 200 Cb 0.83 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2dtd h LYS 200 CO 0.06 0.78 -0.23 0.82 -3.45 0.00 0.00 179.45 177.44 2dtd h ILE 201 N 0.77 1.26 -0.05 2.00 2.04 -1.00 -1.89 117.51 120.63 2dtd h ILE 201 Ca 0.18 -1.20 -0.12 0.00 1.00 0.00 0.00 64.86 64.71 2dtd h ILE 201 Cb 0.28 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2dtd h ILE 201 CO -0.01 0.38 -0.53 -1.28 0.00 0.00 0.00 178.15 176.71 2dtd h SER 202 N 0.40 0.17 -0.07 1.72 0.87 -0.57 -0.61 113.55 115.47 2dtd h SER 202 Ca 0.06 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2dtd h SER 202 Cb 0.62 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2dtd h SER 202 CO 0.04 0.67 0.02 -0.08 -0.53 0.00 0.00 176.83 176.96 2dtd h GLU 203 N 0.12 0.10 -0.81 2.24 4.81 -0.47 -1.19 114.58 119.39 2dtd h GLU 203 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2dtd h GLU 203 Cb 0.98 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 2dtd h GLU 203 CO 0.08 0.25 0.45 -1.49 -0.73 0.00 0.00 179.01 177.57 2dtd h TRP 204 N -0.07 1.11 -0.70 0.92 6.55 -1.21 -2.61 115.95 119.94 2dtd h TRP 204 Ca 0.02 -0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.88 2dtd h TRP 204 Cb 0.19 -0.36 -0.05 0.00 -0.86 0.00 0.00 29.16 28.08 2dtd h TRP 204 CO -0.01 0.77 0.42 0.78 -1.05 0.00 0.00 178.44 179.35 2dtd h GLY 205 N 1.13 1.03 1.97 1.49 0.00 -0.79 -1.27 103.07 106.63 2dtd h GLY 205 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2dtd h GLY 205 CO -0.05 0.22 0.00 1.42 0.00 0.00 0.00 176.54 178.14 2dtd n HIS 206 N -4.71 0.00 0.16 5.60 8.25 -0.48 -1.72 115.22 122.32 2dtd n HIS 206 Ca 0.08 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.62 2dtd n HIS 206 Cb 0.13 -0.49 0.07 0.00 1.12 0.00 0.00 29.99 30.83 2dtd n HIS 206 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2dtd h GLU 207 N 0.00 0.00 -6.31 -0.41 4.39 -1.07 -3.45 114.58 107.73 2dtd h GLU 207 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2dtd h GLU 207 Cb 0.23 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2dtd h GLU 207 CO 0.00 0.20 0.08 -1.01 -1.16 0.00 0.00 179.01 177.12 2dtd s HIS 208 N -3.12 3.80 0.38 4.33 3.76 -0.70 -4.88 115.29 118.86 2dtd s HIS 208 Ca 0.04 1.42 0.13 0.00 -0.15 0.00 0.00 55.06 56.50 2dtd s HIS 208 Cb 0.07 -2.68 0.94 0.00 1.11 0.00 0.00 32.58 32.02 2dtd s HIS 208 CO 0.73 0.45 1.84 -1.35 -0.85 0.00 0.00 174.74 175.56 2dtd h PRO 209 N 4.94 0.54 0.00 8.40 0.11 -1.79 0.33 132.00 144.54 2dtd h PRO 209 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dtd h PRO 209 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2dtd h PRO 209 CO 0.67 0.36 0.00 -1.33 -0.21 0.00 0.00 178.00 177.49 2dtd n MET 210 N -4.58 0.13 -1.61 1.05 2.81 -0.75 -4.86 117.12 109.31 2dtd n MET 210 Ca 0.20 0.20 -0.17 0.00 -1.81 0.00 0.00 57.70 56.12 2dtd n MET 210 Cb 0.61 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.56 2dtd n MET 210 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2dtd n GLN 211 N -1.31 -1.23 -3.69 0.03 1.13 0.12 -4.95 117.38 107.47 2dtd n GLN 211 Ca 0.05 1.08 -0.09 0.00 -1.94 0.00 0.00 57.00 56.09 2dtd n GLN 211 Cb 0.08 -5.35 -0.03 0.00 0.11 0.00 0.00 30.24 25.06 2dtd n GLN 211 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2dtd s ARG 212 N -3.66 1.50 0.49 -1.09 1.70 -0.90 -4.33 118.95 112.67 2dtd s ARG 212 Ca 0.00 -0.80 -0.03 0.00 -0.47 0.00 0.00 55.73 54.44 2dtd s ARG 212 Cb 0.00 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.95 2dtd s ARG 212 CO 0.00 -0.66 0.75 0.96 -1.08 0.00 0.00 175.30 175.27 2dtd s ILE 213 N -3.86 4.15 0.80 4.99 -4.36 -1.26 -4.71 121.20 116.95 2dtd s ILE 213 Ca 0.08 -0.21 -0.12 0.00 -0.26 0.00 0.00 60.65 60.14 2dtd s ILE 213 Cb -0.03 -3.57 0.07 0.00 1.25 0.00 0.00 42.46 40.18 2dtd s ILE 213 CO -0.02 -0.49 1.15 -0.83 0.24 0.00 0.00 174.94 174.99 2dtd s GLY 214 N -4.21 1.60 0.04 6.27 0.00 0.99 -4.82 107.32 107.19 2dtd s GLY 214 Ca 0.49 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.71 2dtd s GLY 214 CO 0.41 -0.07 -0.03 0.54 0.00 0.00 0.00 173.10 173.95 2dtd s LYS 215 N -5.47 2.58 0.36 2.90 1.02 -1.26 -0.03 119.74 119.83 2dtd s LYS 215 Ca 0.61 -0.76 0.10 0.00 0.02 0.00 0.00 55.97 55.93 2dtd s LYS 215 Cb -0.12 -2.54 0.84 0.00 -0.52 0.00 0.00 37.83 35.49 2dtd s LYS 215 CO 0.50 0.58 1.86 -1.35 -0.92 0.00 0.00 175.35 176.02 2dtd h PRO 216 N 3.98 0.65 0.00 -1.68 0.11 -1.93 0.27 132.00 133.40 2dtd h PRO 216 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2dtd h PRO 216 Cb 1.17 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2dtd h PRO 216 CO 0.57 0.43 -0.09 1.96 -0.21 0.00 0.00 178.00 180.66 2dtd h GLN 217 N 0.67 0.00 -0.01 1.05 7.50 -1.94 -1.04 115.11 121.35 2dtd h GLN 217 Ca 0.46 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.43 2dtd h GLN 217 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.29 2dtd h GLN 217 CO -0.21 0.09 -0.79 0.93 -1.50 0.00 0.00 178.83 177.35 2dtd h GLU 218 N 0.00 0.14 -0.13 1.46 5.08 -1.35 -1.45 114.58 118.34 2dtd h GLU 218 Ca -0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 2dtd h GLU 218 Cb 0.29 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2dtd h GLU 218 CO 0.01 0.86 -0.80 0.28 -1.00 0.00 0.00 179.01 178.36 2dtd h VAL 219 N 0.09 1.28 -0.41 3.13 2.07 -1.29 -3.15 116.25 117.97 2dtd h VAL 219 Ca -0.03 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.49 2dtd h VAL 219 Cb 1.39 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 2dtd h VAL 219 CO 0.12 0.63 0.24 0.00 0.02 0.00 0.00 177.57 178.58 2dtd h ALA 220 N 0.52 1.66 -0.85 1.67 0.00 -1.05 -1.84 119.26 119.36 2dtd h ALA 220 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2dtd h ALA 220 Cb 1.44 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2dtd h ALA 220 CO 0.16 0.30 0.41 0.77 0.00 0.00 0.00 179.25 180.90 2dtd h SER 221 N 0.56 1.11 -0.37 0.00 0.02 -1.23 -0.99 113.55 112.66 2dtd h SER 221 Ca 0.15 -0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2dtd h SER 221 Cb -0.02 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 2dtd h SER 221 CO -0.03 0.94 -0.32 0.00 -1.14 0.00 0.00 176.83 176.28 2dtd h ALA 222 N 1.22 0.67 -0.15 3.77 0.00 -1.37 -1.91 119.26 121.49 2dtd h ALA 222 Ca 0.29 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2dtd h ALA 222 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2dtd h ALA 222 CO -0.04 0.67 0.05 0.28 0.00 0.00 0.00 179.25 180.21 2dtd h VAL 223 N 0.75 1.19 -0.59 0.00 2.07 -1.09 -1.70 116.25 116.88 2dtd h VAL 223 Ca 0.08 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2dtd h VAL 223 Cb 0.90 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2dtd h VAL 223 CO 0.08 0.18 0.38 0.00 0.02 0.00 0.00 177.57 178.23 2dtd h ALA 224 N 0.86 0.75 0.16 1.67 0.00 -1.16 -0.60 119.26 120.95 2dtd h ALA 224 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dtd h ALA 224 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2dtd h ALA 224 CO -0.00 0.16 -0.18 0.35 0.00 0.00 0.00 179.25 179.58 2dtd h PHE 225 N 0.78 -0.47 -0.04 0.00 3.04 -1.22 -1.11 116.94 117.90 2dtd h PHE 225 Ca 0.22 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 2dtd h PHE 225 Cb -0.06 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 2dtd h PHE 225 CO -0.04 -0.27 -0.15 -0.07 -2.02 0.00 0.00 178.31 175.76 2dtd h LEU 226 N -0.38 0.06 -0.17 0.59 3.38 -1.09 -2.28 115.31 115.41 2dtd h LEU 226 Ca 0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2dtd h LEU 226 Cb 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2dtd h LEU 226 CO -0.06 0.22 -0.26 0.00 0.09 0.00 0.00 178.44 178.43 2dtd h ALA 227 N 1.79 0.85 -2.36 1.53 0.00 -0.78 -3.45 119.26 116.84 2dtd h ALA 227 Ca 0.01 -0.24 -0.46 0.00 0.00 0.00 0.00 54.91 54.22 2dtd h ALA 227 Cb 0.30 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 18.15 2dtd h ALA 227 CO 0.02 0.33 0.34 -1.54 0.00 0.00 0.00 179.25 178.39 2dtd s SER 228 N -6.31 4.38 0.00 0.00 1.04 -0.45 -4.75 113.70 107.62 2dtd s SER 228 Ca 0.05 0.54 0.19 0.00 0.48 0.00 0.00 55.95 57.21 2dtd s SER 228 Cb 0.07 -1.01 0.84 0.00 0.10 0.00 0.00 66.02 66.02 2dtd s SER 228 CO 0.70 -1.93 1.62 0.54 0.98 0.00 0.00 173.24 175.15 2dtd n ARG 229 N -3.23 0.03 0.00 4.02 1.74 -1.26 -2.20 116.66 115.75 2dtd n ARG 229 Ca 0.09 0.16 0.05 0.00 -0.77 0.00 0.00 57.85 57.39 2dtd n ARG 229 Cb 0.61 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.77 2dtd n ARG 229 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2dtd n GLU 230 N -1.48 0.01 -0.49 5.56 -0.58 -1.26 -1.97 120.64 120.43 2dtd n GLU 230 Ca 0.05 0.31 0.07 0.00 -0.42 0.00 0.00 57.16 57.17 2dtd n GLU 230 Cb 0.22 -1.50 0.18 0.00 -0.57 0.00 0.00 31.44 29.77 2dtd n GLU 230 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dtd n ALA 231 N -1.49 3.18 0.24 0.62 0.00 -0.94 -4.84 120.51 117.29 2dtd n ALA 231 Ca 0.03 -3.03 0.18 0.00 0.00 0.00 0.00 53.44 50.61 2dtd n ALA 231 Cb 0.12 -0.38 0.83 0.00 0.00 0.00 0.00 19.45 20.02 2dtd n ALA 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dtd h SER 232 N 0.70 0.00 -0.24 0.00 4.64 -1.55 0.80 113.55 117.89 2dtd h SER 232 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2dtd h SER 232 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2dtd h SER 232 CO 0.00 0.00 0.00 0.33 -0.87 0.00 0.00 176.83 176.29 2dtd n PHE 233 N -3.30 0.65 -3.87 4.77 -0.00 -1.26 -4.94 117.46 109.51 2dtd n PHE 233 Ca 0.01 -0.76 -0.35 0.00 -0.00 0.00 0.00 57.45 56.35 2dtd n PHE 233 Cb 0.42 -0.20 -0.14 0.00 -0.00 0.00 0.00 39.48 39.56 2dtd n PHE 233 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 2dtd s ILE 234 N -2.18 3.59 -0.11 -2.13 1.01 0.27 -5.08 121.20 116.56 2dtd s ILE 234 Ca 0.33 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 2dtd s ILE 234 Cb 0.25 -2.67 0.06 0.00 0.01 0.00 0.00 42.46 40.12 2dtd s ILE 234 CO 0.10 0.37 0.63 0.28 0.00 0.00 0.00 174.94 176.32 2dtd s THR 235 N 1.50 0.01 0.00 2.92 -1.32 -1.26 -4.74 115.64 112.75 2dtd s THR 235 Ca 0.05 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2dtd s THR 235 Cb -0.15 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2dtd s THR 235 CO -0.02 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 2dtd n GLY 236 N 1.53 0.72 3.89 6.08 0.00 0.70 -4.98 105.19 113.13 2dtd n GLY 236 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2dtd n GLY 236 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dtd s THR 237 N -2.93 2.55 -0.15 2.61 -1.32 -1.26 -4.60 115.64 110.54 2dtd s THR 237 Ca 0.00 -1.34 0.02 0.00 -1.21 0.00 0.00 61.69 59.16 2dtd s THR 237 Cb 0.00 -2.88 0.01 0.00 -1.51 0.00 0.00 72.50 68.12 2dtd s THR 237 CO 0.00 0.00 -0.21 0.00 -2.21 0.00 0.00 174.62 172.20 2dtd s LEU 239 N 0.89 4.29 -0.07 0.00 2.96 0.09 -4.85 118.68 121.98 2dtd s LEU 239 Ca -0.05 0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.63 2dtd s LEU 239 Cb -0.15 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 2dtd s LEU 239 CO -0.03 -0.63 1.05 -0.31 -1.32 0.00 0.00 176.35 175.10 2dtd s TYR 240 N 2.75 3.47 -0.64 5.38 2.02 -1.26 -0.82 117.35 128.24 2dtd s TYR 240 Ca 0.24 1.53 0.06 0.00 -0.37 0.00 0.00 57.07 58.53 2dtd s TYR 240 Cb -0.14 -3.23 0.22 0.00 -0.40 0.00 0.00 41.96 38.41 2dtd s TYR 240 CO 0.16 -0.44 0.64 0.28 -1.57 0.00 0.00 175.55 174.62 2dtd n VAL 241 N 4.45 1.89 -0.75 0.71 0.31 -0.70 -4.86 118.33 119.37 2dtd n VAL 241 Ca 0.09 -5.00 0.04 0.00 -0.01 0.00 0.00 64.34 59.46 2dtd n VAL 241 Cb 0.48 -2.11 0.06 0.00 -0.91 0.00 0.00 33.84 31.37 2dtd n VAL 241 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2dtd n ASP 242 N 1.29 1.77 -1.65 4.52 3.85 -1.26 -2.06 116.55 123.01 2dtd n ASP 242 Ca 0.26 -2.38 -0.14 0.00 -0.71 0.00 0.00 54.79 51.81 2dtd n ASP 242 Cb 0.40 -0.21 -0.05 0.00 -1.35 0.00 0.00 41.12 39.91 2dtd n ASP 242 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dtd n GLY 243 N -0.81 0.94 1.14 6.12 0.00 -1.26 -0.51 105.19 110.81 2dtd n GLY 243 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2dtd n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dtd n GLY 244 N -0.40 0.69 0.20 -0.02 0.00 -1.26 -1.80 105.19 102.60 2dtd n GLY 244 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 2dtd n GLY 244 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dtd h LEU 245 N 0.00 -0.23 0.00 0.99 5.85 -1.14 -2.41 115.31 118.38 2dtd h LEU 245 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2dtd h LEU 245 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2dtd h LEU 245 CO 0.00 -0.08 0.00 -1.54 -0.34 0.00 0.00 178.44 176.48 2dtd n SER 246 N -5.24 0.00 -0.48 1.25 3.41 -1.26 -2.58 113.62 108.72 2dtd n SER 246 Ca 0.05 0.25 0.04 0.00 -0.26 0.00 0.00 58.87 58.96 2dtd n SER 246 Cb 0.27 -0.36 0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2dtd n SER 246 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2dtd n ILE 247 N -1.36 0.77 -3.67 -1.33 -6.64 -0.91 -4.97 119.36 101.26 2dtd n ILE 247 Ca 0.05 -0.89 -0.37 0.00 -1.77 0.00 0.00 62.75 59.77 2dtd n ILE 247 Cb 0.11 0.66 -0.11 0.00 -1.44 0.00 0.00 39.64 38.85 2dtd n ILE 247 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 2dtd s ARG 248 N -0.94 3.90 -0.01 6.28 3.52 -1.06 -5.08 118.95 125.55 2dtd s ARG 248 Ca 0.17 -0.35 -0.21 0.00 -0.13 0.00 0.00 55.73 55.20 2dtd s ARG 248 Cb 0.09 -3.53 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2dtd s ARG 248 CO 0.12 -0.11 0.62 0.00 -0.81 0.00 0.00 175.30 175.12 2dtd s ALA 249 N 1.52 3.45 -0.01 6.12 0.00 -1.26 -4.96 121.76 126.62 2dtd s ALA 249 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 2dtd s ALA 249 Cb -0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 2dtd s ALA 249 CO 0.07 0.11 2.26 -0.35 0.00 0.00 0.00 175.76 177.86 2dtd n PRO 250 N 2.92 1.19 -4.05 0.00 -0.04 -1.26 -4.81 135.00 128.95 2dtd n PRO 250 Ca -0.06 -0.22 -0.34 0.00 -0.04 0.00 0.00 63.50 62.85 2dtd n PRO 250 Cb 0.51 -1.18 -0.15 0.00 -0.04 0.00 0.00 33.50 32.63 2dtd n PRO 250 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2dtd s ILE 251 N 0.08 2.68 0.65 0.52 -1.09 -1.26 -5.11 121.20 117.67 2dtd s ILE 251 Ca 0.12 -0.73 -0.15 0.00 -2.23 0.00 0.00 60.65 57.66 2dtd s ILE 251 Cb 0.06 -2.18 -0.00 0.00 -1.58 0.00 0.00 42.46 38.76 2dtd s ILE 251 CO -0.00 0.49 1.11 -0.94 -1.23 0.00 0.00 174.94 174.37 2dtd s SER 252 N 1.35 5.14 0.10 3.58 1.04 -1.26 -5.07 113.70 118.57 2dtd s SER 252 Ca 0.05 2.02 0.02 0.00 0.48 0.00 0.00 55.95 58.53 2dtd s SER 252 Cb -0.14 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 2dtd s SER 252 CO -0.08 -1.61 -0.08 0.42 0.98 0.00 0.00 173.24 172.88 2dtd s THR 253 N -2.28 0.77 0.61 2.02 -4.23 -1.26 -5.14 115.64 106.14 2dtd s THR 253 Ca 0.68 -1.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.18 2dtd s THR 253 Cb -0.21 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 2dtd s THR 253 CO 0.40 -0.76 1.30 -0.81 -0.54 0.00 0.00 174.62 174.21 2dtd n PRO 254 N 0.20 1.30 0.00 3.99 -0.04 -1.26 -5.33 135.00 133.86 2dtd n PRO 254 Ca -0.14 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2dtd n PRO 254 Cb 0.60 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2dtd n PRO 254 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55