#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ron s SER 2 N 0.00 -0.53 0.41 3.17 0.15 -0.88 -4.76 113.70 111.26 2ron s SER 2 Ca 0.00 0.37 0.08 0.00 0.70 0.00 0.00 55.95 57.10 2ron s SER 2 Cb 0.00 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 2ron s SER 2 CO 0.00 -0.68 0.39 -1.58 1.20 0.00 0.00 173.24 172.57 2ron s GLN 3 N -1.98 2.60 -0.29 5.44 0.74 -1.20 -3.35 119.66 121.63 2ron s GLN 3 Ca -0.08 -1.46 -0.17 0.00 0.05 0.00 0.00 55.36 53.70 2ron s GLN 3 Cb -0.01 -2.45 0.12 0.00 1.10 0.00 0.00 33.01 31.78 2ron s GLN 3 CO 0.02 -0.17 0.90 -0.48 -0.55 0.00 0.00 175.29 175.02 2ron s LEU 4 N -4.14 -0.63 -0.04 3.68 2.34 -1.26 -1.94 118.68 116.69 2ron s LEU 4 Ca 0.48 1.02 -0.24 0.00 0.06 0.00 0.00 54.13 55.45 2ron s LEU 4 Cb -0.04 1.95 -0.04 0.00 -0.56 0.00 0.00 46.19 47.49 2ron s LEU 4 CO 0.28 -0.16 0.73 0.12 -1.06 0.00 0.00 176.35 176.27 2ron s PHE 5 N 1.30 3.62 -0.04 3.48 5.36 -0.78 -4.87 117.98 126.06 2ron s PHE 5 Ca -0.08 1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 57.21 2ron s PHE 5 Cb -0.04 -2.83 0.03 0.00 -0.34 0.00 0.00 43.02 39.84 2ron s PHE 5 CO -0.15 0.12 0.08 -1.59 -1.46 0.00 0.00 175.22 172.22 2ron s LYS 6 N 0.62 0.04 -0.32 10.12 0.00 -1.26 -1.14 119.74 127.80 2ron s LYS 6 Ca 0.39 0.22 0.00 0.00 0.00 0.00 0.00 55.97 56.58 2ron s LYS 6 Cb -0.19 -0.15 0.14 0.00 0.00 0.00 0.00 37.83 37.64 2ron s LYS 6 CO 0.20 -0.12 0.30 0.45 0.00 0.00 0.00 175.35 176.18 2ron s SER 7 N 0.81 1.73 0.87 0.03 0.15 -0.56 -5.01 113.70 111.73 2ron s SER 7 Ca -0.06 -1.10 -0.13 0.00 0.70 0.00 0.00 55.95 55.36 2ron s SER 7 Cb -0.09 0.42 0.12 0.00 -1.71 0.00 0.00 66.02 64.76 2ron s SER 7 CO -0.03 -0.35 1.19 0.72 1.20 0.00 0.00 173.24 175.96 2ron s PHE 8 N 2.02 2.56 -0.36 3.44 -0.71 -1.26 -1.71 117.98 121.96 2ron s PHE 8 Ca 0.12 0.70 0.06 0.00 -1.04 0.00 0.00 56.93 56.78 2ron s PHE 8 Cb -0.15 -3.56 0.19 0.00 -1.21 0.00 0.00 43.02 38.29 2ron s PHE 8 CO -0.23 -2.13 0.64 0.34 -1.34 0.00 0.00 175.22 172.49 2ron s ASP 9 N -4.46 -1.52 -1.67 1.98 2.15 -1.26 -4.84 116.67 107.06 2ron s ASP 9 Ca 0.65 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.27 2ron s ASP 9 Cb -0.11 1.93 0.00 0.00 -0.30 0.00 0.00 42.92 44.45 2ron s ASP 9 CO 0.51 -0.22 0.00 0.00 -0.17 0.00 0.00 175.17 175.29 2ron n ALA 10 N 4.82 -0.24 -3.79 3.66 0.00 -1.26 -3.22 120.51 120.48 2ron n ALA 10 Ca 0.08 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 2ron n ALA 10 Cb 0.56 -1.68 0.04 0.00 0.00 0.00 0.00 19.45 18.37 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -0.56 -5.02 -0.01 0.00 3.41 -1.26 -4.94 113.62 105.24 2ron n SER 11 Ca -0.16 -1.10 -0.00 0.00 -0.26 0.00 0.00 58.87 57.35 2ron n SER 11 Cb 0.52 -2.89 -0.00 0.00 -0.26 0.00 0.00 64.21 61.58 2ron n SER 11 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2ron h GLU 12 N -2.10 0.00 -3.47 4.33 4.57 -1.89 -3.44 114.58 112.57 2ron h GLU 12 Ca -0.68 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.33 2ron h GLU 12 Cb 1.37 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.72 2ron h GLU 12 CO 0.49 0.00 -0.54 0.15 -1.18 0.00 0.00 179.01 177.93 2ron s LYS 13 N -1.10 0.29 -0.13 1.92 1.02 -1.26 -4.69 119.74 115.79 2ron s LYS 13 Ca -0.01 -0.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 2ron s LYS 13 Cb 0.00 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2ron s LYS 13 CO 0.02 -0.06 -0.02 0.99 -0.92 0.00 0.00 175.35 175.36 2ron s THR 14 N -0.56 4.05 -0.36 2.17 2.01 -1.24 -0.02 115.64 121.70 2ron s THR 14 Ca -0.06 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2ron s THR 14 Cb -0.04 -2.75 0.12 0.00 0.01 0.00 0.00 72.50 69.83 2ron s THR 14 CO 0.01 0.52 0.16 0.00 -0.69 0.00 0.00 174.62 174.62 2ron s GLN 15 N -0.01 0.88 -0.96 4.92 -2.07 -1.12 -1.31 119.66 119.99 2ron s GLN 15 Ca 0.02 -1.43 -0.21 0.00 -1.82 0.00 0.00 55.36 51.92 2ron s GLN 15 Cb -0.13 -2.00 0.09 0.00 -1.09 0.00 0.00 33.01 29.88 2ron s GLN 15 CO 0.02 -1.08 1.28 -1.17 -1.32 0.00 0.00 175.29 173.02 2ron s LEU 16 N 1.10 4.22 0.50 2.60 0.20 0.87 -2.37 118.68 125.81 2ron s LEU 16 Ca 0.14 -1.67 0.05 0.00 0.69 0.00 0.00 54.13 53.34 2ron s LEU 16 Cb -0.21 -2.49 0.00 0.00 -0.43 0.00 0.00 46.19 43.07 2ron s LEU 16 CO -0.13 -1.32 0.25 0.27 -0.29 0.00 0.00 176.35 175.14 2ron s ILE 17 N 3.93 1.69 -0.30 6.68 -4.36 0.80 -1.93 121.20 127.72 2ron s ILE 17 Ca 0.39 -1.66 -0.02 0.00 -0.26 0.00 0.00 60.65 59.09 2ron s ILE 17 Cb -0.03 -2.35 0.18 0.00 1.25 0.00 0.00 42.46 41.51 2ron s ILE 17 CO -0.08 0.00 0.61 0.00 0.24 0.00 0.00 174.94 175.71 2ron n PHE 19 N 5.43 -1.88 -2.05 0.00 3.72 -1.26 -4.76 117.46 116.66 2ron n PHE 19 Ca -0.03 0.47 -0.28 0.00 -0.05 0.00 0.00 57.45 57.57 2ron n PHE 19 Cb 0.51 -3.47 -0.05 0.00 -0.94 0.00 0.00 39.48 35.52 2ron n PHE 19 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ron s PRO 20 N -6.05 2.57 0.19 -1.08 0.04 -1.26 -4.94 135.00 124.47 2ron s PRO 20 Ca 0.43 -0.23 -0.33 0.00 0.04 0.00 0.00 61.00 60.91 2ron s PRO 20 Cb -0.15 -5.02 -0.14 0.00 0.04 0.00 0.00 34.50 29.23 2ron s PRO 20 CO 0.86 -3.32 1.37 1.97 0.04 0.00 0.00 177.00 177.92 2ron n PHE 21 N 13.86 1.89 0.05 0.56 1.16 -1.26 -4.92 117.46 128.80 2ron n PHE 21 Ca 0.39 0.49 -0.03 0.00 -1.87 0.00 0.00 57.45 56.42 2ron n PHE 21 Cb 0.47 -2.41 -0.02 0.00 -1.61 0.00 0.00 39.48 35.91 2ron n PHE 21 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2ron h ALA 22 N 4.32 -0.83 -0.46 1.98 0.00 -1.97 -3.40 119.26 118.89 2ron h ALA 22 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ron h ALA 22 Cb 1.30 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2ron h ALA 22 CO 0.77 -0.83 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2ron n GLY 23 N -1.10 2.33 0.00 0.00 0.00 -1.26 -2.32 105.19 102.84 2ron n GLY 23 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2ron n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 24 N 0.00 0.00 0.26 -0.02 0.00 -1.26 -4.67 105.19 99.50 2ron n GLY 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2ron n GLY 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ron h TYR 25 N 0.00 0.29 -0.02 1.61 -0.00 -1.90 -1.03 116.97 115.92 2ron h TYR 25 Ca 0.00 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.73 58.55 2ron h TYR 25 Cb 0.51 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.13 2ron h TYR 25 CO 0.00 0.32 -0.72 1.03 -0.00 0.00 0.00 178.16 178.79 2ron h SER 26 N 0.28 0.14 0.76 0.10 0.87 -1.68 -1.45 113.55 112.58 2ron h SER 26 Ca 0.07 -0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.33 2ron h SER 26 Cb 0.22 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2ron h SER 26 CO 0.01 0.81 -0.91 0.00 -0.53 0.00 0.00 176.83 176.21 2ron h ALA 27 N 1.19 0.50 0.18 6.23 0.00 -1.50 -2.26 119.26 123.59 2ron h ALA 27 Ca -0.02 -0.78 -0.31 0.00 0.00 0.00 0.00 54.91 53.80 2ron h ALA 27 Cb 1.27 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.98 2ron h ALA 27 CO 0.10 1.03 -1.34 1.03 0.00 0.00 0.00 179.25 180.07 2ron h SER 28 N 0.04 0.74 1.29 0.00 0.87 -1.17 -3.26 113.55 112.06 2ron h SER 28 Ca -0.03 -0.76 -0.04 0.00 -1.23 0.00 0.00 61.79 59.73 2ron h SER 28 Cb 1.57 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2ron h SER 28 CO 0.13 1.58 -0.19 0.15 -0.53 0.00 0.00 176.83 177.97 2ron h PHE 29 N 0.17 0.00 0.11 2.24 3.04 -1.33 -3.11 116.94 118.06 2ron h PHE 29 Ca -0.20 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.76 2ron h PHE 29 Cb 2.03 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.50 2ron h PHE 29 CO 0.11 0.19 -0.48 0.00 -2.02 0.00 0.00 178.31 176.10 2ron h ARG 30 N 0.00 -0.66 -0.07 1.11 3.08 -1.44 0.26 114.38 116.65 2ron h ARG 30 Ca -0.00 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2ron h ARG 30 Cb 0.88 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 2ron h ARG 30 CO 0.02 -0.44 -0.07 -1.00 -1.07 0.00 0.00 179.97 177.42 2ron h PRO 31 N -0.69 0.16 -0.23 0.04 0.13 -1.72 -0.94 132.00 128.76 2ron h PRO 31 Ca -0.01 -0.09 0.06 0.00 -0.87 0.00 0.00 66.00 65.10 2ron h PRO 31 Cb 0.69 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.76 2ron h PRO 31 CO -0.26 0.61 -0.23 1.25 -0.23 0.00 0.00 178.00 179.13 2ron h LEU 32 N -0.27 -0.73 -0.75 1.56 7.12 -1.49 0.47 115.31 121.22 2ron h LEU 32 Ca 0.01 0.13 -0.11 0.00 0.13 0.00 0.00 57.88 58.04 2ron h LEU 32 Cb 0.58 0.35 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 2ron h LEU 32 CO 0.02 -0.27 -0.25 -0.74 -0.13 0.00 0.00 178.44 177.07 2ron h HIS 33 N -0.24 0.77 0.00 1.25 2.76 -0.55 -2.24 115.15 116.90 2ron h HIS 33 Ca 0.13 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2ron h HIS 33 Cb 0.44 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2ron h HIS 33 CO -0.38 0.86 0.00 0.00 -1.30 0.00 0.00 177.93 177.11 2ron n ALA 34 N -2.50 2.58 -0.09 5.26 0.00 -0.36 0.08 120.51 125.48 2ron n ALA 34 Ca -0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2ron n ALA 34 Cb 0.44 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 2ron n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ron n PHE 35 N -0.99 0.61 -0.39 0.00 7.35 0.15 -4.51 117.46 119.68 2ron n PHE 35 Ca 0.21 0.19 0.05 0.00 -0.76 0.00 0.00 57.45 57.14 2ron n PHE 35 Cb 0.10 -1.07 0.11 0.00 0.35 0.00 0.00 39.48 38.97 2ron n PHE 35 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 2ron n LEU 36 N -3.90 2.63 -3.60 -2.13 -0.00 -1.14 -5.02 117.00 103.84 2ron n LEU 36 Ca -0.41 -2.34 -0.11 0.00 -0.00 0.00 0.00 56.01 53.15 2ron n LEU 36 Cb 0.89 -0.23 -0.04 0.00 -0.00 0.00 0.00 43.42 44.04 2ron n LEU 36 CO 0.22 0.63 0.20 -1.10 -0.00 0.00 0.00 177.39 177.35 2ron s GLN 37 N -1.60 1.10 0.00 1.47 -0.21 0.11 -5.06 119.66 115.47 2ron s GLN 37 Ca 0.19 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.91 2ron s GLN 37 Cb 0.14 0.49 0.00 0.00 1.00 0.00 0.00 33.01 34.63 2ron s GLN 37 CO 0.07 -0.44 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 2ron n GLY 38 N -0.23 2.53 3.56 3.09 0.00 -1.26 -3.70 105.19 109.18 2ron n GLY 38 Ca -0.16 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 2ron n GLY 38 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ron n GLU 39 N -0.67 -2.20 -4.70 1.61 4.71 -1.26 -5.01 120.64 113.12 2ron n GLU 39 Ca 0.00 0.61 -0.32 0.00 -0.01 0.00 0.00 57.16 57.44 2ron n GLU 39 Cb 0.00 -4.83 -0.07 0.00 -1.01 0.00 0.00 31.44 25.53 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ron s GLU 41 N -3.90 3.32 -0.32 0.00 2.02 0.97 -4.70 118.70 116.09 2ron s GLU 41 Ca 0.08 1.74 -0.18 0.00 0.02 0.00 0.00 54.97 56.63 2ron s GLU 41 Cb 0.02 -4.25 -0.01 0.00 0.10 0.00 0.00 34.13 29.98 2ron s GLU 41 CO 0.04 -1.88 0.53 -1.64 0.02 0.00 0.00 175.26 172.34 2ron s MET 42 N 5.81 3.78 -0.23 1.61 -1.94 -0.69 -2.81 119.30 124.82 2ron s MET 42 Ca 0.88 0.03 0.01 0.00 -1.71 0.00 0.00 55.69 54.90 2ron s MET 42 Cb -0.28 -3.76 0.06 0.00 2.01 0.00 0.00 34.83 32.86 2ron s MET 42 CO 0.34 -0.57 -0.06 -1.17 -0.01 0.00 0.00 175.02 173.56 2ron s LEU 43 N 2.42 2.49 -0.20 -0.03 2.96 -1.00 -1.50 118.68 123.83 2ron s LEU 43 Ca 0.20 -1.12 -0.00 0.00 -0.22 0.00 0.00 54.13 53.00 2ron s LEU 43 Cb -0.15 -1.17 0.05 0.00 0.50 0.00 0.00 46.19 45.41 2ron s LEU 43 CO 0.12 -0.22 -0.05 0.00 -1.32 0.00 0.00 176.35 174.88 2ron s ALA 44 N 1.41 1.70 0.59 5.97 0.00 -0.29 -0.14 121.76 130.99 2ron s ALA 44 Ca -0.05 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 2ron s ALA 44 Cb -0.18 -1.26 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 2ron s ALA 44 CO -0.06 -0.97 0.62 0.00 0.00 0.00 0.00 175.76 175.35 2ron n ALA 45 N 4.78 -0.88 -2.14 0.00 0.00 0.60 -1.87 120.51 121.01 2ron n ALA 45 Ca -0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2ron n ALA 45 Cb 0.46 -1.89 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 2ron n ALA 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ron s GLU 46 N -2.29 0.76 0.96 0.00 0.41 -0.82 -4.52 118.70 113.21 2ron s GLU 46 Ca 0.70 -1.30 -0.12 0.00 -0.41 0.00 0.00 54.97 53.84 2ron s GLU 46 Cb -0.43 -0.03 0.17 0.00 -1.78 0.00 0.00 34.13 32.05 2ron s GLU 46 CO 0.53 -0.07 1.09 -1.25 -0.49 0.00 0.00 175.26 175.07 2ron s PRO 47 N -3.88 0.71 0.42 0.39 0.04 -1.26 -3.23 135.00 128.20 2ron s PRO 47 Ca 0.11 0.62 -0.24 0.00 0.04 0.00 0.00 61.00 61.53 2ron s PRO 47 Cb 0.06 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 2ron s PRO 47 CO -0.06 -2.56 1.18 -1.25 0.04 0.00 0.00 177.00 174.34 2ron s PRO 48 N -4.95 3.93 0.00 0.56 0.04 -1.26 -3.85 135.00 129.46 2ron s PRO 48 Ca 0.65 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2ron s PRO 48 Cb -0.18 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2ron s PRO 48 CO 0.57 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.60 2ron n GLY 49 N 0.56 0.66 3.45 0.56 0.00 -1.26 -4.98 105.19 104.18 2ron n GLY 49 Ca 0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2ron n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 50 N 0.15 2.46 0.00 1.61 3.76 -1.26 -5.02 115.29 116.98 2ron s HIS 50 Ca 0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2ron s HIS 50 Cb 0.00 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.37 2ron s HIS 50 CO 0.00 0.35 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 2ron n GLY 51 N 0.91 -3.12 1.83 -2.22 0.00 -1.26 -4.83 105.19 96.51 2ron n GLY 51 Ca -0.16 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.90 2ron n GLY 51 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ron n THR 52 N -0.21 2.82 -0.01 2.61 5.66 -1.26 -4.21 114.28 119.68 2ron n THR 52 Ca 0.00 -1.64 -0.00 0.00 -3.05 0.00 0.00 64.05 59.36 2ron n THR 52 Cb 0.00 -0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 68.43 2ron n THR 52 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ron n ASN 53 N 0.01 4.17 -4.63 1.09 5.15 -1.26 -4.70 115.26 115.08 2ron n ASN 53 Ca 0.35 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.90 2ron n ASN 53 Cb 1.27 0.79 -0.03 0.00 -0.53 0.00 0.00 39.78 41.29 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2ron s GLN 54 N -2.14 3.72 -0.07 1.20 -1.52 -1.26 -4.72 119.66 114.87 2ron s GLN 54 Ca -0.02 1.93 0.01 0.00 -1.95 0.00 0.00 55.36 55.34 2ron s GLN 54 Cb 0.01 -4.13 0.02 0.00 -0.22 0.00 0.00 33.01 28.69 2ron s GLN 54 CO 0.14 -1.40 -0.07 -0.08 -0.25 0.00 0.00 175.29 173.63 2ron s THR 55 N 5.72 0.82 0.00 -0.19 -1.32 -1.25 -2.07 115.64 117.35 2ron s THR 55 Ca 0.81 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 2ron s THR 55 Cb -0.30 -0.81 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2ron s THR 55 CO 0.33 0.30 0.48 -1.54 -2.21 0.00 0.00 174.62 171.98 2ron n SER 56 N 4.24 0.00 -2.42 8.08 3.41 -1.21 -4.88 113.62 120.83 2ron n SER 56 Ca -0.20 0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 58.85 2ron n SER 56 Cb 0.51 -0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 2ron n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ron n ALA 57 N -1.39 -0.72 -3.58 7.33 0.00 -1.26 -2.24 120.51 118.65 2ron n ALA 57 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 2ron n ALA 57 Cb 0.00 -1.76 0.05 0.00 0.00 0.00 0.00 19.45 17.74 2ron n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ron n ILE 58 N -3.62 -6.61 -1.28 0.00 -0.00 -1.26 -4.92 119.36 101.68 2ron n ILE 58 Ca -0.18 -1.04 0.04 0.00 -0.00 0.00 0.00 62.75 61.56 2ron n ILE 58 Cb 0.64 -4.85 0.05 0.00 -0.00 0.00 0.00 39.64 35.48 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2ron n GLU 59 N -3.95 0.86 0.03 0.38 1.02 -0.95 -4.78 120.64 113.25 2ron n GLU 59 Ca -0.10 -1.59 -0.04 0.00 -0.02 0.00 0.00 57.16 55.41 2ron n GLU 59 Cb 0.60 -0.94 0.19 0.00 -0.02 0.00 0.00 31.44 31.27 2ron n GLU 59 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2ron h ASP 60 N 0.00 0.44 0.00 1.62 2.03 -1.91 -2.12 116.42 116.48 2ron h ASP 60 Ca 0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2ron h ASP 60 Cb 1.09 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 2ron h ASP 60 CO 0.00 0.75 0.00 -0.11 -1.03 0.00 0.00 179.24 178.85 2ron n LEU 61 N -4.08 0.00 -0.34 0.15 7.94 -1.26 -0.33 117.00 119.09 2ron n LEU 61 Ca -0.01 0.86 0.15 0.00 -1.11 0.00 0.00 56.01 55.89 2ron n LEU 61 Cb 0.45 -0.36 0.36 0.00 0.53 0.00 0.00 43.42 44.40 2ron n LEU 61 CO 0.43 -0.36 1.20 -0.33 -1.11 0.00 0.00 177.39 177.21 2ron h GLU 62 N 0.00 0.67 0.12 1.96 5.08 -1.93 0.28 114.58 120.76 2ron h GLU 62 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2ron h GLU 62 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2ron h GLU 62 CO 0.00 0.44 -0.06 1.49 -1.00 0.00 0.00 179.01 179.89 2ron h GLU 63 N 0.69 -0.15 -0.43 2.33 4.57 -1.33 -0.51 114.58 119.75 2ron h GLU 63 Ca 0.58 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.85 2ron h GLU 63 Cb 1.00 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.56 2ron h GLU 63 CO -0.37 -0.10 0.00 -0.07 -1.18 0.00 0.00 179.01 177.29 2ron h LEU 64 N -0.16 -0.17 -2.11 1.64 3.38 -0.39 0.36 115.31 117.86 2ron h LEU 64 Ca -0.02 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ron h LEU 64 Cb 0.12 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2ron h LEU 64 CO 0.03 -0.05 0.01 0.71 0.09 0.00 0.00 178.44 179.23 2ron h THR 65 N 0.11 0.00 0.01 0.22 1.35 -0.48 -0.43 112.91 113.70 2ron h THR 65 Ca 0.21 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.72 2ron h THR 65 Cb 0.30 0.70 -0.05 0.00 -1.73 0.00 0.00 68.15 67.38 2ron h THR 65 CO -0.35 0.00 -1.96 -0.67 -0.25 0.00 0.00 175.52 172.29 2ron n ASP 66 N -2.62 1.94 0.00 5.36 2.03 0.87 -1.38 116.55 122.75 2ron n ASP 66 Ca -0.02 0.32 0.06 0.00 0.52 0.00 0.00 54.79 55.67 2ron n ASP 66 Cb 0.06 -0.85 0.27 0.00 -0.72 0.00 0.00 41.12 39.88 2ron n ASP 66 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ron n LEU 67 N -4.16 0.00 0.02 -2.67 7.94 0.91 -0.40 117.00 118.63 2ron n LEU 67 Ca -0.43 0.45 -0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2ron n LEU 67 Cb 0.83 -0.45 -0.00 0.00 0.53 0.00 0.00 43.42 44.32 2ron n LEU 67 CO 0.15 -0.27 -0.30 -1.22 -1.11 0.00 0.00 177.39 174.65 2ron n TYR 68 N -1.45 0.00 -0.51 1.96 4.01 -0.21 -4.73 117.16 116.23 2ron n TYR 68 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 2ron n TYR 68 Cb 0.13 -0.05 0.20 0.00 -0.31 0.00 0.00 39.34 39.31 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2ron n LYS 69 N -3.34 2.72 -0.35 -0.72 4.76 -0.48 -4.61 118.16 116.15 2ron n LYS 69 Ca -0.02 -2.22 0.13 0.00 -2.87 0.00 0.00 58.31 53.33 2ron n LYS 69 Cb 0.28 -1.94 0.27 0.00 -1.84 0.00 0.00 35.03 31.80 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2ron h GLN 70 N 1.64 0.00 0.00 1.97 4.15 -0.74 -3.37 115.11 118.77 2ron h GLN 70 Ca 0.27 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.59 2ron h GLN 70 Cb 2.02 -0.00 0.06 0.00 0.21 0.00 0.00 27.48 29.77 2ron h GLN 70 CO 0.61 0.00 -0.05 -0.85 -1.93 0.00 0.00 178.83 176.62 2ron n GLU 71 N -5.51 -2.59 -1.54 1.69 0.28 -1.26 -4.69 120.64 107.02 2ron n GLU 71 Ca 0.22 -0.40 -0.36 0.00 -0.16 0.00 0.00 57.16 56.47 2ron n GLU 71 Cb 0.72 -0.53 -0.05 0.00 1.43 0.00 0.00 31.44 33.01 2ron n GLU 71 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2ron n LEU 72 N 0.00 1.91 -4.68 -1.84 4.32 -1.26 -4.91 117.00 110.53 2ron n LEU 72 Ca 0.04 -0.42 -0.24 0.00 -0.02 0.00 0.00 56.01 55.36 2ron n LEU 72 Cb 0.16 -1.46 -0.08 0.00 -1.62 0.00 0.00 43.42 40.42 2ron n LEU 72 CO 0.11 -1.46 -0.24 0.21 -1.22 0.00 0.00 177.39 174.78 2ron s ASN 73 N 11.57 4.39 0.34 -1.43 2.47 -1.26 -5.13 114.94 125.89 2ron s ASN 73 Ca 1.05 -0.94 0.05 0.00 0.42 0.00 0.00 52.86 53.45 2ron s ASN 73 Cb -0.37 -0.59 0.06 0.00 -1.45 0.00 0.00 41.25 38.90 2ron s ASN 73 CO 0.30 -0.32 0.47 0.18 -3.72 0.00 0.00 177.10 174.01 2ron n LEU 74 N -1.07 0.00 -4.45 3.21 4.77 -1.26 -5.06 117.00 113.13 2ron n LEU 74 Ca -0.03 -1.45 -0.37 0.00 -0.03 0.00 0.00 56.01 54.13 2ron n LEU 74 Cb 0.62 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.52 2ron n LEU 74 CO 0.44 -0.63 0.03 -2.11 -1.33 0.00 0.00 177.39 173.79 2ron n ARG 75 N -1.74 0.34 0.00 3.23 0.00 -1.26 -4.99 116.66 112.24 2ron n ARG 75 Ca 0.10 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 2ron n ARG 75 Cb 0.35 -1.77 0.00 0.00 -0.00 0.00 0.00 32.46 31.04 2ron n ARG 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2ron n PRO 76 N -0.47 -0.16 -2.22 2.89 -0.04 -1.26 -4.95 135.00 128.79 2ron n PRO 76 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 2ron n PRO 76 Cb 0.49 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.92 2ron n PRO 76 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ron s ASP 77 N -1.51 6.88 -0.02 3.54 -4.77 -1.26 -4.96 116.67 114.57 2ron s ASP 77 Ca 0.00 2.29 -0.18 0.00 -3.30 0.00 0.00 52.55 51.35 2ron s ASP 77 Cb 0.00 -2.59 -0.10 0.00 -1.09 0.00 0.00 42.92 39.14 2ron s ASP 77 CO 0.00 -0.60 0.78 0.03 0.70 0.00 0.00 175.17 176.08 2ron h ARG 78 N 6.55 -0.63 -7.18 2.11 3.08 -1.88 -3.46 114.38 112.97 2ron h ARG 78 Ca -0.42 0.04 -0.51 0.00 0.07 0.00 0.00 59.98 59.16 2ron h ARG 78 Cb 1.21 0.14 0.10 0.00 0.08 0.00 0.00 29.97 31.50 2ron h ARG 78 CO 0.84 -0.42 0.39 -1.25 -1.07 0.00 0.00 179.97 178.46 2ron s PRO 79 N -3.69 2.92 -0.27 0.04 0.04 -1.26 -4.52 135.00 128.25 2ron s PRO 79 Ca -0.10 1.43 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 2ron s PRO 79 Cb 0.01 -1.96 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2ron s PRO 79 CO 0.29 -1.16 0.76 0.12 0.04 0.00 0.00 177.00 177.04 2ron s PHE 80 N -2.22 -0.81 -0.04 0.56 5.36 -0.81 -3.59 117.98 116.44 2ron s PHE 80 Ca 0.68 1.86 0.01 0.00 -0.96 0.00 0.00 56.93 58.51 2ron s PHE 80 Cb -0.21 0.36 0.02 0.00 -0.34 0.00 0.00 43.02 42.86 2ron s PHE 80 CO 0.38 -0.39 -0.03 0.14 -1.46 0.00 0.00 175.22 173.87 2ron s VAL 81 N 0.67 0.41 -0.10 3.12 -7.23 -0.42 -3.77 120.40 113.07 2ron s VAL 81 Ca -0.02 -0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.14 2ron s VAL 81 Cb -0.05 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.42 2ron s VAL 81 CO -0.05 0.20 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.51 2ron s LEU 82 N 0.99 2.28 -0.37 1.32 0.20 -1.23 -0.09 118.68 121.78 2ron s LEU 82 Ca -0.10 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.26 2ron s LEU 82 Cb -0.14 -1.47 0.11 0.00 -0.43 0.00 0.00 46.19 44.26 2ron s LEU 82 CO -0.01 0.18 0.12 -0.36 -0.29 0.00 0.00 176.35 176.00 2ron s PHE 83 N 0.24 2.74 0.00 5.38 0.08 -0.81 -4.26 117.98 121.35 2ron s PHE 83 Ca -0.14 -2.53 0.00 0.00 0.12 0.00 0.00 56.93 54.38 2ron s PHE 83 Cb -0.17 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 2ron s PHE 83 CO 0.07 -0.87 0.00 0.41 -0.10 0.00 0.00 175.22 174.73 2ron n GLY 84 N 4.17 1.00 3.99 4.36 0.00 -1.26 -2.62 105.19 114.82 2ron n GLY 84 Ca 0.03 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 2ron n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 85 N 0.66 1.35 -0.38 1.61 0.09 -1.26 -4.81 115.29 112.54 2ron s HIS 85 Ca 0.00 -0.81 0.06 0.00 -0.00 0.00 0.00 55.06 54.31 2ron s HIS 85 Cb 0.00 -2.07 0.51 0.00 -0.00 0.00 0.00 32.58 31.02 2ron s HIS 85 CO 0.00 -0.97 1.54 -1.13 -0.00 0.00 0.00 174.74 174.18 2ron n SER 86 N -2.10 3.87 0.00 1.40 3.41 -1.26 -4.25 113.62 114.68 2ron n SER 86 Ca 0.09 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 2ron n SER 86 Cb 0.63 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2ron n SER 86 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2ron n MET 87 N -0.20 0.00 -3.67 4.33 0.00 -1.26 -5.07 117.12 111.25 2ron n MET 87 Ca 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.96 2ron n MET 87 Cb 1.16 -0.00 0.03 0.00 0.00 0.00 0.00 33.22 34.40 2ron n MET 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ron n GLY 88 N 3.78 0.93 0.00 3.17 0.00 -1.26 -5.00 105.19 106.81 2ron n GLY 88 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2ron n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 89 N -0.55 -1.29 0.24 -0.02 0.00 -1.26 -4.55 105.19 97.75 2ron n GLY 89 Ca -0.07 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 2ron n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ron h MET 90 N 0.00 0.80 0.35 1.61 -0.00 -1.97 -2.39 114.93 113.32 2ron h MET 90 Ca 0.00 -0.32 -0.02 0.00 -0.00 0.00 0.00 59.70 59.36 2ron h MET 90 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.56 2ron h MET 90 CO 0.00 0.94 -0.17 0.82 -0.00 0.00 0.00 176.91 178.50 2ron h ILE 91 N 0.61 0.66 -0.30 -0.10 2.04 -1.96 0.22 117.51 118.68 2ron h ILE 91 Ca 0.10 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.64 2ron h ILE 91 Cb 0.66 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 2ron h ILE 91 CO 0.05 0.08 -0.23 0.74 0.00 0.00 0.00 178.15 178.78 2ron h THR 92 N -0.69 0.40 -0.49 -0.27 2.02 -1.97 -1.77 112.91 110.13 2ron h THR 92 Ca -0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 2ron h THR 92 Cb 0.48 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2ron h THR 92 CO 0.08 0.00 0.11 0.15 0.37 0.00 0.00 175.52 176.23 2ron h PHE 93 N -0.20 0.83 -0.65 3.16 3.04 -1.44 -2.03 116.94 119.65 2ron h PHE 93 Ca 0.16 -0.10 0.12 0.00 3.98 0.00 0.00 57.97 62.13 2ron h PHE 93 Cb 0.45 -0.23 -0.12 0.00 2.56 0.00 0.00 35.95 38.60 2ron h PHE 93 CO -0.41 0.75 -0.24 -0.09 -2.02 0.00 0.00 178.31 176.30 2ron h ARG 94 N 0.67 -0.06 -0.34 1.11 2.43 0.28 0.37 114.38 118.83 2ron h ARG 94 Ca 0.15 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 2ron h ARG 94 Cb 0.34 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2ron h ARG 94 CO 0.00 -0.04 -0.41 -0.07 -1.51 0.00 0.00 179.97 177.94 2ron h LEU 95 N -0.07 0.91 0.00 3.80 4.07 -1.31 -2.16 115.31 120.56 2ron h LEU 95 Ca 0.29 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.83 2ron h LEU 95 Cb 0.52 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2ron h LEU 95 CO -0.70 1.20 0.00 0.00 -1.08 0.00 0.00 178.44 177.86 2ron n ALA 96 N -2.54 -0.47 -0.29 1.53 0.00 0.03 -1.70 120.51 117.08 2ron n ALA 96 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.63 2ron n ALA 96 Cb 0.55 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.52 2ron n ALA 96 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2ron h GLN 97 N 0.00 0.38 0.00 0.00 4.15 -0.51 0.25 115.11 119.38 2ron h GLN 97 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2ron h GLN 97 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2ron h GLN 97 CO 0.00 0.25 0.00 1.17 -1.93 0.00 0.00 178.83 178.32 2ron n LYS 98 N -4.55 0.00 0.32 1.69 3.00 -0.81 -1.82 118.16 115.99 2ron n LYS 98 Ca 0.22 0.46 0.19 0.00 -0.00 0.00 0.00 58.31 59.18 2ron n LYS 98 Cb 0.80 -1.41 1.08 0.00 0.00 0.00 0.00 35.03 35.50 2ron n LYS 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2ron h LEU 99 N 0.00 0.00 0.00 3.14 5.85 -1.03 -1.65 115.31 121.62 2ron h LEU 99 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ron h LEU 99 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ron h LEU 99 CO 0.00 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.31 2ron n GLU 100 N -3.42 0.00 -0.31 1.25 4.07 0.85 -0.12 120.64 122.95 2ron n GLU 100 Ca -0.03 0.28 -0.00 0.00 -0.06 0.00 0.00 57.16 57.35 2ron n GLU 100 Cb 0.09 -1.23 0.13 0.00 -0.06 0.00 0.00 31.44 30.37 2ron n GLU 100 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 2ron h ARG 101 N 0.00 0.96 0.00 5.31 0.11 -1.33 0.20 114.38 119.64 2ron h ARG 101 Ca 0.00 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2ron h ARG 101 Cb 0.00 -0.22 -0.00 0.00 1.11 0.00 0.00 29.97 30.86 2ron h ARG 101 CO 0.00 0.64 -0.04 0.93 0.10 0.00 0.00 179.97 181.59 2ron h GLU 102 N 0.99 0.00 0.09 0.08 4.39 -1.37 -2.65 114.58 116.11 2ron h GLU 102 Ca 0.36 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.76 2ron h GLU 102 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2ron h GLU 102 CO -0.15 0.04 -1.51 0.78 -1.16 0.00 0.00 179.01 177.02 2ron h GLY 103 N 1.02 0.21 -5.53 -3.84 0.00 0.15 -3.47 103.07 91.62 2ron h GLY 103 Ca -0.00 -0.54 0.17 0.00 0.00 0.00 0.00 47.33 46.95 2ron h GLY 103 CO 0.01 0.48 0.23 -1.50 0.00 0.00 0.00 176.54 175.75 2ron s ILE 104 N -2.62 -0.47 0.00 2.60 1.10 -0.67 -4.84 121.20 116.30 2ron s ILE 104 Ca -0.08 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 59.82 2ron s ILE 104 Cb 0.07 -1.00 -0.17 0.00 0.15 0.00 0.00 42.46 41.52 2ron s ILE 104 CO 0.84 0.00 1.21 0.15 -2.11 0.00 0.00 174.94 175.04 2ron h PHE 105 N 7.40 -0.35 -1.17 3.50 3.57 -1.84 -3.40 116.94 124.64 2ron h PHE 105 Ca -0.16 -0.01 -0.37 0.00 3.53 0.00 0.00 57.97 60.96 2ron h PHE 105 Cb 1.12 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 2ron h PHE 105 CO 0.19 -0.01 0.96 -1.25 -2.23 0.00 0.00 178.31 175.97 2ron s PRO 106 N -4.57 2.58 -0.10 6.41 0.04 -1.26 -4.96 135.00 133.14 2ron s PRO 106 Ca -0.14 0.04 -0.00 0.00 0.04 0.00 0.00 61.00 60.93 2ron s PRO 106 Cb 0.02 -4.82 -0.03 0.00 0.04 0.00 0.00 34.50 29.72 2ron s PRO 106 CO 0.54 -3.15 -0.08 -0.65 0.04 0.00 0.00 177.00 173.71 2ron s GLN 107 N 7.03 3.11 0.00 4.56 -0.21 -1.26 -4.74 119.66 128.15 2ron s GLN 107 Ca 0.69 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 55.49 2ron s GLN 107 Cb -0.09 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.25 2ron s GLN 107 CO 0.07 0.46 0.13 0.00 -2.12 0.00 0.00 175.29 173.83 2ron n ALA 108 N 2.85 -0.03 -2.70 6.09 0.00 -1.26 -4.88 120.51 120.57 2ron n ALA 108 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.89 2ron n ALA 108 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 2ron n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ron s VAL 109 N -0.60 5.28 -0.16 0.00 -7.23 -1.26 -3.56 120.40 112.87 2ron s VAL 109 Ca 0.00 0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 60.62 2ron s VAL 109 Cb 0.00 -3.56 0.06 0.00 0.56 0.00 0.00 36.38 33.45 2ron s VAL 109 CO 0.00 0.59 0.35 -0.63 -0.31 0.00 0.00 175.10 175.10 2ron s ILE 110 N -0.98 -0.25 -0.07 -0.62 1.01 -0.97 -1.92 121.20 117.41 2ron s ILE 110 Ca 0.19 0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.06 2ron s ILE 110 Cb -0.14 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 2ron s ILE 110 CO 0.08 0.07 -0.25 -0.51 0.00 0.00 0.00 174.94 174.33 2ron s ILE 111 N 1.86 2.05 -0.03 2.92 -1.16 -1.25 -3.15 121.20 122.44 2ron s ILE 111 Ca -0.06 -1.06 0.00 0.00 -0.51 0.00 0.00 60.65 59.03 2ron s ILE 111 Cb -0.10 -1.74 -0.03 0.00 0.61 0.00 0.00 42.46 41.19 2ron s ILE 111 CO -0.11 0.57 -0.00 -0.55 -2.81 0.00 0.00 174.94 172.03 2ron s SER 112 N -0.06 5.12 0.34 4.50 0.15 -1.05 -3.54 113.70 119.15 2ron s SER 112 Ca -0.07 0.04 0.07 0.00 0.70 0.00 0.00 55.95 56.69 2ron s SER 112 Cb -0.15 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.77 2ron s SER 112 CO 0.05 0.32 0.26 0.00 1.20 0.00 0.00 173.24 175.06 2ron s ALA 113 N -1.00 2.01 -1.26 5.45 0.00 -1.26 -3.63 121.76 122.07 2ron s ALA 113 Ca 0.17 -1.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.14 2ron s ALA 113 Cb -0.11 1.38 0.00 0.00 0.00 0.00 0.00 23.12 24.39 2ron s ALA 113 CO 0.07 -0.62 1.07 -0.89 0.00 0.00 0.00 175.76 175.39 2ron n ILE 114 N -0.66 -4.63 -2.38 0.00 2.08 -1.26 -4.66 119.36 107.85 2ron n ILE 114 Ca 0.06 -0.28 -0.43 0.00 0.56 0.00 0.00 62.75 62.66 2ron n ILE 114 Cb 0.63 -4.53 -0.02 0.00 -0.75 0.00 0.00 39.64 34.96 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2ron s GLN 115 N -5.77 3.74 0.89 0.38 -0.21 -1.25 -4.53 119.66 112.90 2ron s GLN 115 Ca 0.26 1.09 -0.11 0.00 0.02 0.00 0.00 55.36 56.62 2ron s GLN 115 Cb -0.11 -3.96 0.12 0.00 1.00 0.00 0.00 33.01 30.06 2ron s GLN 115 CO 0.72 -1.36 1.09 -1.25 -2.12 0.00 0.00 175.29 172.38 2ron s PRO 116 N 4.58 1.33 0.50 2.91 0.04 -1.26 -3.18 135.00 139.92 2ron s PRO 116 Ca 0.59 0.85 0.28 0.00 0.04 0.00 0.00 61.00 62.76 2ron s PRO 116 Cb -0.15 -1.82 1.19 0.00 0.04 0.00 0.00 34.50 33.76 2ron s PRO 116 CO 0.28 -2.20 1.93 -1.00 0.04 0.00 0.00 177.00 176.05 2ron h PRO 117 N -1.52 0.00 -6.99 0.56 0.13 -1.95 -3.42 132.00 118.81 2ron h PRO 117 Ca -0.49 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.18 2ron h PRO 117 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2ron h PRO 117 CO 0.54 0.13 0.36 -3.38 -0.23 0.00 0.00 178.00 175.42 2ron s HIS 118 N -3.75 3.37 0.05 1.56 -3.43 -1.26 -4.67 115.29 107.16 2ron s HIS 118 Ca 0.00 1.66 0.00 0.00 -0.80 0.00 0.00 55.06 55.92 2ron s HIS 118 Cb 0.10 -2.94 -0.03 0.00 -1.43 0.00 0.00 32.58 28.27 2ron s HIS 118 CO 0.59 -0.20 -0.04 0.42 -2.00 0.00 0.00 174.74 173.51 2ron s ILE 119 N -1.91 0.32 -0.06 -5.38 1.09 -1.26 -4.28 121.20 109.72 2ron s ILE 119 Ca 0.59 -1.50 -0.32 0.00 -1.10 0.00 0.00 60.65 58.31 2ron s ILE 119 Cb -0.15 -1.10 -0.10 0.00 -1.06 0.00 0.00 42.46 40.05 2ron s ILE 119 CO 0.19 -0.77 1.95 1.67 -0.10 0.00 0.00 174.94 177.89 2ron n GLN 120 N 0.65 2.39 -1.60 2.79 0.00 -1.26 -4.74 117.38 115.61 2ron n GLN 120 Ca -0.17 0.86 -0.28 0.00 -0.00 0.00 0.00 57.00 57.41 2ron n GLN 120 Cb 0.59 -2.82 -0.05 0.00 0.00 0.00 0.00 30.24 27.96 2ron n GLN 120 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2ron s ARG 121 N 4.48 1.94 0.45 3.69 1.70 -1.26 -4.89 118.95 125.06 2ron s ARG 121 Ca 0.93 0.98 0.03 0.00 -0.47 0.00 0.00 55.73 57.20 2ron s ARG 121 Cb -0.58 -4.66 -0.02 0.00 -0.57 0.00 0.00 34.95 29.12 2ron s ARG 121 CO 0.47 -3.70 0.10 0.15 -1.08 0.00 0.00 175.30 171.24 2ron s LYS 122 N 8.42 2.04 -0.10 3.89 1.02 -1.26 -5.03 119.74 128.71 2ron s LYS 122 Ca 0.94 -2.27 -0.09 0.00 0.02 0.00 0.00 55.97 54.56 2ron s LYS 122 Cb -0.15 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2ron s LYS 122 CO 0.18 -0.48 0.21 0.21 -0.92 0.00 0.00 175.35 174.55 2ron s LYS 123 N -3.73 3.64 0.01 1.68 2.20 -1.26 -4.66 119.74 117.61 2ron s LYS 123 Ca 0.17 -0.00 -0.00 0.00 -0.36 0.00 0.00 55.97 55.78 2ron s LYS 123 Cb 0.02 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 2ron s LYS 123 CO 0.11 0.70 -0.01 0.08 -0.36 0.00 0.00 175.35 175.88 2ron s VAL 124 N -0.87 0.06 -0.33 4.02 1.01 -1.26 -5.04 120.40 117.99 2ron s VAL 124 Ca 0.17 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.78 2ron s VAL 124 Cb -0.13 -0.15 0.71 0.00 0.00 0.00 0.00 36.38 36.82 2ron s VAL 124 CO 0.06 -0.25 1.78 -1.20 0.00 0.00 0.00 175.10 175.48 2ron n SER 125 N 2.32 4.50 -0.07 3.32 7.64 -1.26 -4.49 113.62 125.58 2ron n SER 125 Ca -0.18 -3.30 -0.10 0.00 1.01 0.00 0.00 58.87 56.30 2ron n SER 125 Cb 0.57 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2ron h HIS 126 N 2.31 0.00 -3.38 1.43 -0.00 -2.02 -3.49 115.15 110.00 2ron h HIS 126 Ca 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 2ron h HIS 126 Cb 2.31 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 29.58 2ron h HIS 126 CO 1.27 0.55 -0.10 -0.51 -0.00 0.00 0.00 177.93 179.13 2ron s LEU 127 N -8.20 0.48 0.15 0.26 1.43 -1.26 -5.03 118.68 106.51 2ron s LEU 127 Ca -0.16 -0.30 0.20 0.00 -1.03 0.00 0.00 54.13 52.84 2ron s LEU 127 Cb 0.02 1.76 0.83 0.00 0.03 0.00 0.00 46.19 48.82 2ron s LEU 127 CO 0.34 -0.82 1.60 -0.81 0.23 0.00 0.00 176.35 176.90 2ron n PRO 128 N -0.11 0.11 0.03 1.29 -0.04 -1.26 -2.29 135.00 132.74 2ron n PRO 128 Ca -0.16 0.36 0.06 0.00 -0.04 0.00 0.00 63.50 63.71 2ron n PRO 128 Cb 0.63 -1.72 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 2ron n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ron n ASP 129 N -1.93 0.51 -0.11 3.54 8.00 -1.26 -4.15 116.55 121.15 2ron n ASP 129 Ca 0.03 0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.68 2ron n ASP 129 Cb 0.20 0.89 0.01 0.00 -0.02 0.00 0.00 41.12 42.20 2ron n ASP 129 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ron h ASP 130 N 0.00 -0.48 -0.37 -2.24 5.19 -1.84 0.82 116.42 117.50 2ron h ASP 130 Ca -0.10 0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 2ron h ASP 130 Cb 1.30 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 41.07 2ron h ASP 130 CO 0.02 -0.17 -0.07 0.06 -3.12 0.00 0.00 179.24 175.95 2ron h GLN 131 N -0.06 0.79 0.43 3.56 3.07 -1.75 -2.13 115.11 119.01 2ron h GLN 131 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 2ron h GLN 131 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.83 2ron h GLN 131 CO -0.42 0.84 -0.21 0.74 0.09 0.00 0.00 178.83 179.88 2ron h PHE 132 N 0.72 -0.53 -0.71 0.06 0.04 -1.38 -2.06 116.94 113.08 2ron h PHE 132 Ca 0.13 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 61.09 2ron h PHE 132 Cb 0.54 0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 2ron h PHE 132 CO 0.03 -0.33 0.52 1.37 -0.60 0.00 0.00 178.31 179.30 2ron h LEU 133 N -0.60 0.00 -0.87 1.54 8.10 -0.95 0.35 115.31 122.87 2ron h LEU 133 Ca -0.06 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.84 2ron h LEU 133 Cb 0.44 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 2ron h LEU 133 CO 0.10 0.00 -0.14 0.44 -4.11 0.00 0.00 178.44 174.72 2ron h ASP 134 N 0.00 0.67 0.43 0.17 3.32 -1.15 -1.12 116.42 118.74 2ron h ASP 134 Ca 0.34 -0.20 -0.31 0.00 0.02 0.00 0.00 57.03 56.88 2ron h ASP 134 Cb 1.37 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 2ron h ASP 134 CO -0.00 0.83 -1.66 -0.74 -1.72 0.00 0.00 179.24 175.95 2ron h HIS 135 N 0.62 0.26 0.00 4.55 2.76 0.16 -3.33 115.15 120.16 2ron h HIS 135 Ca 0.10 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 2ron h HIS 135 Cb 0.60 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 2ron h HIS 135 CO 0.03 1.30 -0.20 0.97 -1.30 0.00 0.00 177.93 178.73 2ron h ILE 136 N 0.04 0.60 -6.98 6.26 6.09 -0.44 -3.47 117.51 119.61 2ron h ILE 136 Ca -0.28 -0.95 -0.59 0.00 -1.37 0.00 0.00 64.86 61.68 2ron h ILE 136 Cb 2.00 1.63 -0.18 0.00 0.47 0.00 0.00 36.82 40.74 2ron h ILE 136 CO 0.11 0.20 -0.92 2.30 -3.07 0.00 0.00 178.15 176.77 2ron n ILE 137 N -3.50 -1.14 0.05 2.19 -5.35 -0.43 -4.81 119.36 106.36 2ron n ILE 137 Ca -0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2ron n ILE 137 Cb 0.37 -1.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 2ron n ILE 137 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ron n GLN 138 N -4.46 0.00 -3.94 6.28 6.02 -1.26 -4.34 117.38 115.68 2ron n GLN 138 Ca -0.29 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.41 2ron n GLN 138 Cb 0.65 -0.39 0.02 0.00 1.02 0.00 0.00 30.24 31.54 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ron n LEU 139 N -3.32 -2.48 0.00 1.08 7.99 -1.26 -2.27 117.00 116.74 2ron n LEU 139 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 56.01 55.17 2ron n LEU 139 Cb 0.00 -2.48 0.00 0.00 -0.11 0.00 0.00 43.42 40.83 2ron n LEU 139 CO 0.00 0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.93 2ron n GLY 140 N -1.65 2.06 0.00 -0.72 0.00 -1.26 -4.80 105.19 98.82 2ron n GLY 140 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ron n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 141 N 0.00 2.38 3.07 -0.02 0.00 -0.96 -5.09 105.19 104.55 2ron n GLY 141 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 2ron n GLY 141 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ron s MET 142 N -0.33 0.72 -0.09 1.61 0.00 -1.25 -4.97 119.30 114.99 2ron s MET 142 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 55.69 55.07 2ron s MET 142 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 34.83 34.66 2ron s MET 142 CO 0.00 -1.17 1.52 -1.25 0.00 0.00 0.00 175.02 174.12 2ron s PRO 143 N 1.87 4.19 -0.29 4.11 0.04 -1.26 -4.46 135.00 139.21 2ron s PRO 143 Ca 0.15 2.00 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 2ron s PRO 143 Cb -0.08 -3.91 0.14 0.00 0.04 0.00 0.00 34.50 30.69 2ron s PRO 143 CO -0.09 -0.81 1.05 0.00 0.04 0.00 0.00 177.00 177.20 2ron s ALA 144 N 3.87 -2.13 0.00 8.56 0.00 -1.26 -5.03 121.76 125.77 2ron s ALA 144 Ca 0.67 1.99 0.00 0.00 0.00 0.00 0.00 51.96 54.62 2ron s ALA 144 Cb -0.29 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2ron s ALA 144 CO 0.24 -0.27 0.00 0.39 0.00 0.00 0.00 175.76 176.12 2ron n GLU 145 N 2.77 0.00 -0.02 0.00 4.71 -1.26 -4.87 120.64 121.98 2ron n GLU 145 Ca -0.15 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.01 2ron n GLU 145 Cb 0.57 -0.56 0.01 0.00 -1.01 0.00 0.00 31.44 30.45 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2ron n LEU 146 N -2.01 1.57 -0.00 -4.62 -0.00 -1.26 -4.66 117.00 106.02 2ron n LEU 146 Ca 0.00 -1.64 0.04 0.00 -0.00 0.00 0.00 56.01 54.41 2ron n LEU 146 Cb 0.16 -0.03 -0.12 0.00 -0.00 0.00 0.00 43.42 43.43 2ron n LEU 146 CO 0.00 0.41 -0.62 1.33 -0.00 0.00 0.00 177.39 178.51 2ron n VAL 147 N -0.45 0.68 -0.22 1.47 0.24 -1.26 -4.23 118.33 114.56 2ron n VAL 147 Ca 0.01 -0.63 0.26 0.00 -2.04 0.00 0.00 64.34 61.94 2ron n VAL 147 Cb 0.34 -0.33 0.64 0.00 -1.47 0.00 0.00 33.84 33.03 2ron n VAL 147 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2ron h GLU 148 N 0.00 0.15 0.01 7.34 -0.00 -1.91 -2.29 114.58 117.88 2ron h GLU 148 Ca -0.16 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2ron h GLU 148 Cb 1.41 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 30.13 2ron h GLU 148 CO 0.02 0.10 -0.02 -0.97 -0.00 0.00 0.00 179.01 178.14 2ron h ASN 149 N 0.15 -0.06 -0.75 3.06 -1.24 -1.92 0.16 115.58 114.97 2ron h ASN 149 Ca 0.46 0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.64 2ron h ASN 149 Cb 1.57 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 40.59 2ron h ASN 149 CO -0.08 -0.02 0.51 0.07 -1.29 0.00 0.00 177.43 176.61 2ron h LYS 150 N -0.04 0.32 0.00 6.67 2.10 -1.75 0.30 116.57 124.18 2ron h LYS 150 Ca -0.00 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 2ron h LYS 150 Cb 0.03 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 2ron h LYS 150 CO -0.01 0.21 -0.27 0.93 -2.00 0.00 0.00 179.45 178.32 2ron h GLU 151 N 0.33 0.00 0.00 0.07 5.08 -0.91 0.31 114.58 119.47 2ron h GLU 151 Ca 0.37 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.64 2ron h GLU 151 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2ron h GLU 151 CO -0.10 0.27 -0.45 0.28 -1.00 0.00 0.00 179.01 178.00 2ron h VAL 152 N 0.00 0.79 -0.09 3.13 2.07 0.25 0.38 116.25 122.78 2ron h VAL 152 Ca -0.00 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.43 2ron h VAL 152 Cb 0.57 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2ron h VAL 152 CO 0.03 0.44 0.00 0.23 0.02 0.00 0.00 177.57 178.30 2ron n MET 153 N -3.22 1.52 0.11 1.57 2.81 -0.91 -4.17 117.12 114.83 2ron n MET 153 Ca 0.02 -1.61 0.00 0.00 -1.81 0.00 0.00 57.70 54.30 2ron n MET 153 Cb 0.71 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 2ron n MET 153 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2ron n SER 154 N 0.95 0.25 0.29 7.83 3.41 0.11 -4.67 113.62 121.79 2ron n SER 154 Ca 0.11 0.37 0.18 0.00 -0.26 0.00 0.00 58.87 59.27 2ron n SER 154 Cb 0.43 0.16 0.79 0.00 -0.26 0.00 0.00 64.21 65.33 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2ron h PHE 155 N 0.00 0.00 -5.34 7.33 -1.00 -0.54 -3.41 116.94 113.97 2ron h PHE 155 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2ron h PHE 155 Cb 0.01 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.60 2ron h PHE 155 CO 0.00 0.00 -0.11 0.34 -1.61 0.00 0.00 178.31 176.93 2ron n PHE 156 N -3.09 -2.88 -1.09 -0.55 -0.00 0.88 -3.92 117.46 106.81 2ron n PHE 156 Ca -0.00 1.09 -0.35 0.00 -0.00 0.00 0.00 57.45 58.19 2ron n PHE 156 Cb 0.26 -4.08 0.08 0.00 -0.00 0.00 0.00 39.48 35.74 2ron n PHE 156 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2ron n LEU 157 N -1.94 -0.06 -2.57 -2.13 -0.00 -1.22 -4.53 117.00 104.55 2ron n LEU 157 Ca -0.01 0.48 -0.10 0.00 -0.00 0.00 0.00 56.01 56.38 2ron n LEU 157 Cb 0.51 -1.17 -0.06 0.00 -0.00 0.00 0.00 43.42 42.70 2ron n LEU 157 CO 0.53 -3.51 1.44 -0.81 -0.00 0.00 0.00 177.39 175.03 2ron n PRO 158 N -0.78 1.26 -3.34 1.47 -0.04 -1.26 -4.51 135.00 127.81 2ron n PRO 158 Ca 0.08 -0.78 -0.15 0.00 -0.04 0.00 0.00 63.50 62.62 2ron n PRO 158 Cb 0.51 -1.97 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 2ron n PRO 158 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ron s SER 159 N 2.90 0.86 0.03 3.54 0.15 -1.26 -4.82 113.70 115.10 2ron s SER 159 Ca 0.33 -1.48 -0.14 0.00 0.70 0.00 0.00 55.95 55.37 2ron s SER 159 Cb 0.13 0.72 -0.06 0.00 -1.71 0.00 0.00 66.02 65.10 2ron s SER 159 CO -0.01 -0.25 1.21 -0.26 1.20 0.00 0.00 173.24 175.13 2ron h PHE 160 N 7.07 -0.54 -1.00 3.44 0.04 -1.98 -0.86 116.94 123.11 2ron h PHE 160 Ca 0.05 0.00 0.37 0.00 2.80 0.00 0.00 57.97 61.19 2ron h PHE 160 Cb 1.07 0.21 -0.17 0.00 2.20 0.00 0.00 35.95 39.27 2ron h PHE 160 CO 0.30 -0.25 0.54 0.07 -0.60 0.00 0.00 178.31 178.37 2ron h ARG 161 N -0.38 0.15 0.00 1.51 -0.00 -1.96 0.50 114.38 114.19 2ron h ARG 161 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2ron h ARG 161 Cb 0.33 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.27 2ron h ARG 161 CO -0.03 0.10 0.00 0.45 -0.00 0.00 0.00 179.97 180.49 2ron n SER 162 N -5.17 0.00 -0.13 0.08 2.88 -0.89 -1.93 113.62 108.46 2ron n SER 162 Ca 0.35 0.71 -0.06 0.00 -1.33 0.00 0.00 58.87 58.54 2ron n SER 162 Cb 1.13 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 2ron n SER 162 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2ron h ASP 163 N 0.00 -0.90 -0.70 -3.46 3.58 -0.59 0.28 116.42 114.63 2ron h ASP 163 Ca 0.00 0.18 0.13 0.00 0.42 0.00 0.00 57.03 57.76 2ron h ASP 163 Cb 0.00 0.45 -0.13 0.00 1.72 0.00 0.00 39.33 41.37 2ron h ASP 163 CO 0.00 -0.28 -0.27 1.88 -2.88 0.00 0.00 179.24 177.69 2ron h TYR 164 N -0.19 -0.68 -0.36 0.28 -1.99 -0.13 1.03 116.97 114.93 2ron h TYR 164 Ca 0.19 0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.87 2ron h TYR 164 Cb 0.50 0.40 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 2ron h TYR 164 CO -0.50 -0.35 -0.30 -0.09 -0.00 0.00 0.00 178.16 176.92 2ron h ARG 165 N -0.07 0.78 0.00 4.88 1.12 -0.57 -1.55 114.38 118.97 2ron h ARG 165 Ca 0.30 -0.35 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2ron h ARG 165 Cb 0.55 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 2ron h ARG 165 CO -0.75 0.98 0.00 0.00 -3.11 0.00 0.00 179.97 177.09 2ron n ALA 166 N -2.51 2.51 -0.08 2.80 0.00 0.88 0.17 120.51 124.27 2ron n ALA 166 Ca -0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 2ron n ALA 166 Cb 0.48 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 2ron n ALA 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ron n LEU 167 N -1.08 1.81 0.00 0.00 -0.00 0.33 -4.81 117.00 113.25 2ron n LEU 167 Ca 0.19 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 2ron n LEU 167 Cb 0.13 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 42.85 2ron n LEU 167 CO 0.17 -0.12 0.32 -1.84 -0.00 0.00 0.00 177.39 175.92 2ron n GLU 168 N -4.28 0.96 -4.10 1.96 0.28 -0.63 -5.03 120.64 109.80 2ron n GLU 168 Ca -0.21 -0.83 -0.44 0.00 -0.16 0.00 0.00 57.16 55.52 2ron n GLU 168 Cb 0.55 -0.82 0.01 0.00 1.43 0.00 0.00 31.44 32.61 2ron n GLU 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ron n GLN 169 N -0.20 -0.29 -0.00 3.44 10.64 0.13 -4.84 117.38 126.25 2ron n GLN 169 Ca 0.00 0.03 -0.00 0.00 -1.83 0.00 0.00 57.00 55.20 2ron n GLN 169 Cb 0.25 -2.40 -0.00 0.00 -0.86 0.00 0.00 30.24 27.23 2ron n GLN 169 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2ron n PHE 170 N -4.88 0.00 -0.79 2.61 -0.00 -1.26 -5.00 117.46 108.14 2ron n PHE 170 Ca -0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.03 2ron n PHE 170 Cb 0.55 -0.01 0.24 0.00 -0.00 0.00 0.00 39.48 40.26 2ron n PHE 170 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2ron s GLU 171 N -2.00 -1.23 0.33 -4.13 0.41 -1.26 -5.06 118.70 105.76 2ron s GLU 171 Ca -0.00 0.33 0.05 0.00 -0.41 0.00 0.00 54.97 54.94 2ron s GLU 171 Cb 0.00 -1.56 -0.02 0.00 -1.78 0.00 0.00 34.13 30.77 2ron s GLU 171 CO 0.00 -3.80 0.32 -0.51 -0.49 0.00 0.00 175.26 170.78 2ron s LEU 172 N -7.14 1.58 0.56 1.80 1.43 -1.26 -4.86 118.68 110.79 2ron s LEU 172 Ca 0.68 -1.70 0.28 0.00 -1.03 0.00 0.00 54.13 52.36 2ron s LEU 172 Cb -0.17 0.76 1.49 0.00 0.03 0.00 0.00 46.19 48.30 2ron s LEU 172 CO 0.59 -1.12 1.98 1.88 0.23 0.00 0.00 176.35 179.92 2ron h TYR 173 N 2.14 0.00 -3.77 0.29 0.05 -1.98 -3.38 116.97 110.32 2ron h TYR 173 Ca -0.26 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.89 2ron h TYR 173 Cb 1.23 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.82 2ron h TYR 173 CO 1.65 0.00 -0.35 -0.51 -1.05 0.00 0.00 178.16 177.90 2ron s ASP 174 N -5.75 6.17 0.00 3.88 1.01 -1.26 -4.89 116.67 115.82 2ron s ASP 174 Ca -0.05 0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.40 2ron s ASP 174 Cb 0.17 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.93 2ron s ASP 174 CO 0.63 -0.12 0.28 0.00 0.21 0.00 0.00 175.17 176.17 2ron n LEU 175 N 5.15 0.56 -4.52 1.23 -0.00 -1.26 -5.07 117.00 113.08 2ron n LEU 175 Ca -0.11 -0.63 -0.29 0.00 -0.00 0.00 0.00 56.01 54.98 2ron n LEU 175 Cb 0.51 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.17 2ron n LEU 175 CO 0.36 0.14 0.55 0.00 -0.00 0.00 0.00 177.39 178.44 2ron s ALA 176 N -0.14 0.02 -0.97 1.47 0.00 -1.26 -4.34 121.76 116.53 2ron s ALA 176 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 2ron s ALA 176 Cb 0.00 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 2ron s ALA 176 CO 0.00 -3.69 0.85 1.04 0.00 0.00 0.00 175.76 173.96 2ron n GLN 177 N -4.83 -2.69 -3.57 0.00 6.02 -1.23 -5.00 117.38 106.09 2ron n GLN 177 Ca 0.07 0.79 -0.28 0.00 -0.01 0.00 0.00 57.00 57.57 2ron n GLN 177 Cb 0.57 -5.45 -0.16 0.00 1.02 0.00 0.00 30.24 26.22 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ron s ILE 178 N -3.35 -0.08 -0.24 5.09 -1.09 -1.26 -5.07 121.20 115.19 2ron s ILE 178 Ca 0.35 -0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 58.23 2ron s ILE 178 Cb -0.05 -0.81 0.13 0.00 -1.58 0.00 0.00 42.46 40.16 2ron s ILE 178 CO 0.67 -0.54 0.42 0.00 -1.23 0.00 0.00 174.94 174.27 2ron s GLN 179 N 2.12 0.38 0.00 2.79 -2.07 -1.26 -3.45 119.66 118.16 2ron s GLN 179 Ca 0.06 0.73 0.00 0.00 -1.82 0.00 0.00 55.36 54.33 2ron s GLN 179 Cb -0.16 -0.13 0.00 0.00 -1.09 0.00 0.00 33.01 31.63 2ron s GLN 179 CO -0.25 -0.54 0.00 0.45 -1.32 0.00 0.00 175.29 173.63 2ron n SER 180 N 5.38 0.00 -2.61 12.60 2.88 -1.26 -4.87 113.62 125.74 2ron n SER 180 Ca -0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.47 2ron n SER 180 Cb 0.50 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ron n PRO 181 N 0.00 -1.23 -4.76 -1.46 -0.04 -1.26 -4.24 135.00 122.01 2ron n PRO 181 Ca 0.00 -0.17 -0.32 0.00 -0.04 0.00 0.00 63.50 62.96 2ron n PRO 181 Cb 0.00 -0.16 -0.16 0.00 -0.04 0.00 0.00 33.50 33.14 2ron n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ron s VAL 182 N -1.19 2.15 -0.01 0.52 1.01 -1.23 -3.48 120.40 118.16 2ron s VAL 182 Ca 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2ron s VAL 182 Cb -0.01 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 2ron s VAL 182 CO 0.05 0.55 0.05 -1.00 0.00 0.00 0.00 175.10 174.75 2ron s HIS 183 N 0.72 0.01 -0.02 5.22 3.76 -0.84 -2.28 115.29 121.86 2ron s HIS 183 Ca -0.09 -0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.75 2ron s HIS 183 Cb -0.16 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.51 2ron s HIS 183 CO 0.00 -0.09 0.11 0.08 -0.85 0.00 0.00 174.74 174.00 2ron s VAL 184 N -0.41 0.05 0.30 -0.90 1.01 -1.19 -3.62 120.40 115.66 2ron s VAL 184 Ca -0.05 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2ron s VAL 184 Cb -0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.97 2ron s VAL 184 CO 0.00 -0.24 -0.00 -0.36 0.00 0.00 0.00 175.10 174.50 2ron s PHE 185 N -0.81 1.95 0.22 5.22 0.08 0.59 -2.54 117.98 122.68 2ron s PHE 185 Ca -0.09 -0.83 -0.21 0.00 0.12 0.00 0.00 56.93 55.92 2ron s PHE 185 Cb -0.05 -1.20 0.07 0.00 -0.57 0.00 0.00 43.02 41.27 2ron s PHE 185 CO 0.01 0.15 1.00 0.54 -0.10 0.00 0.00 175.22 176.81 2ron s ASN 186 N -3.46 0.00 0.87 1.36 2.20 -1.24 -1.72 114.94 112.95 2ron s ASN 186 Ca 0.33 -0.75 0.00 0.00 -0.94 0.00 0.00 52.86 51.49 2ron s ASN 186 Cb 0.06 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.87 2ron s ASN 186 CO 0.13 -1.11 0.00 0.61 -2.94 0.00 0.00 177.10 173.80 2ron n GLY 187 N -0.68 0.50 4.42 0.45 0.00 0.53 -4.34 105.19 106.08 2ron n GLY 187 Ca -0.04 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2ron n GLY 187 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ron n LEU 188 N 0.00 -0.83 -0.30 0.99 -0.00 -1.19 -3.45 117.00 112.21 2ron n LEU 188 Ca 0.00 -1.14 0.12 0.00 -0.00 0.00 0.00 56.01 54.99 2ron n LEU 188 Cb 0.00 -1.59 0.36 0.00 -0.00 0.00 0.00 43.42 42.18 2ron n LEU 188 CO 0.00 0.10 1.22 -2.24 -0.00 0.00 0.00 177.39 176.47 2ron h ASP 189 N -0.85 0.71 0.00 1.45 2.03 -1.88 -2.99 116.42 114.89 2ron h ASP 189 Ca -0.57 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2ron h ASP 189 Cb 1.37 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2ron h ASP 189 CO 0.84 0.33 0.00 -0.90 -1.03 0.00 0.00 179.24 178.48 2ron n ASP 190 N -4.61 0.00 -4.33 4.15 5.75 -1.26 -0.09 116.55 116.16 2ron n ASP 190 Ca 0.19 0.89 -0.27 0.00 -0.01 0.00 0.00 54.79 55.59 2ron n ASP 190 Cb 0.50 -0.39 -0.13 0.00 -1.03 0.00 0.00 41.12 40.07 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ron s LYS 191 N -2.55 1.41 0.00 0.11 2.20 -1.13 -2.43 119.74 117.34 2ron s LYS 191 Ca 0.00 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.43 2ron s LYS 191 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 2ron s LYS 191 CO 0.00 0.42 0.00 0.36 -0.36 0.00 0.00 175.35 175.77 2ron n LYS 192 N 1.29 3.29 0.05 4.03 2.85 -1.26 -4.67 118.16 123.73 2ron n LYS 192 Ca -0.18 0.00 0.21 0.00 -1.05 0.00 0.00 58.31 57.29 2ron n LYS 192 Cb 0.53 -0.94 0.73 0.00 -0.65 0.00 0.00 35.03 34.70 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ron h ILE 194 N 0.00 1.28 -0.26 0.00 2.10 -1.99 -1.55 117.51 117.09 2ron h ILE 194 Ca 0.23 -1.56 -0.17 0.00 1.08 0.00 0.00 64.86 64.43 2ron h ILE 194 Cb 1.21 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 2ron h ILE 194 CO -0.00 0.52 -0.52 -0.09 -1.08 0.00 0.00 178.15 176.97 2ron h ARG 195 N 0.69 0.81 -0.56 2.19 9.65 -0.95 0.21 114.38 126.43 2ron h ARG 195 Ca 0.06 -0.53 -0.07 0.00 -1.10 0.00 0.00 59.98 58.34 2ron h ARG 195 Cb 0.96 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.59 2ron h ARG 195 CO 0.09 1.15 0.06 0.22 2.80 0.00 0.00 179.97 184.30 2ron h ASP 196 N 0.57 0.91 0.15 -3.80 3.58 -1.39 0.44 116.42 116.87 2ron h ASP 196 Ca 0.01 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 2ron h ASP 196 Cb 1.13 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2ron h ASP 196 CO 0.12 0.96 -0.07 0.00 -2.88 0.00 0.00 179.24 177.37 2ron h ALA 197 N 0.99 -0.20 0.00 -0.78 0.00 -1.28 -1.69 119.26 116.30 2ron h ALA 197 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ron h ALA 197 Cb 0.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ron h ALA 197 CO 0.02 -0.19 0.00 0.93 0.00 0.00 0.00 179.25 180.01 2ron h GLU 198 N -1.03 0.00 0.10 0.00 4.39 -0.66 0.68 114.58 118.07 2ron h GLU 198 Ca -0.02 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.34 2ron h GLU 198 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2ron h GLU 198 CO 0.03 0.00 -1.81 0.78 -1.16 0.00 0.00 179.01 176.85 2ron h GLY 199 N 0.92 0.25 0.77 -3.84 0.00 -0.18 -3.35 103.07 97.63 2ron h GLY 199 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2ron h GLY 199 CO 0.00 0.56 -0.35 1.87 0.00 0.00 0.00 176.54 178.62 2ron n TRP 200 N -3.39 0.00 0.05 5.60 -0.00 -0.64 -3.89 117.44 115.17 2ron n TRP 200 Ca -0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.21 2ron n TRP 200 Cb 1.05 -0.21 0.16 0.00 -0.00 0.00 0.00 31.31 32.31 2ron n TRP 200 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2ron h LYS 201 N 0.48 0.38 0.00 5.87 5.09 -1.01 -2.68 116.57 124.69 2ron h LYS 201 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 60.65 60.55 2ron h LYS 201 Cb 0.49 0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.83 2ron h LYS 201 CO 0.00 0.75 -0.06 0.36 -2.09 0.00 0.00 179.45 178.41 2ron n LYS 202 N -4.00 0.25 -1.88 0.07 2.85 -1.25 -4.90 118.16 109.29 2ron n LYS 202 Ca -0.02 0.19 -0.16 0.00 -1.05 0.00 0.00 58.31 57.27 2ron n LYS 202 Cb 0.52 -1.78 -0.04 0.00 -0.65 0.00 0.00 35.03 33.07 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -2.21 -0.65 -3.39 5.58 7.02 -1.01 -3.48 117.44 119.30 2ron n TRP 203 Ca 0.05 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.14 2ron n TRP 203 Cb 0.43 -3.11 -0.09 0.00 -2.42 0.00 0.00 31.31 26.12 2ron n TRP 203 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2ron s ALA 204 N -2.57 3.57 -0.42 6.99 0.00 -1.26 -4.65 121.76 123.42 2ron s ALA 204 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2ron s ALA 204 Cb 0.00 -2.71 0.12 0.00 0.00 0.00 0.00 23.12 20.53 2ron s ALA 204 CO 0.00 -0.62 0.18 0.15 0.00 0.00 0.00 175.76 175.47 2ron s LYS 205 N 2.00 1.40 1.25 0.00 3.01 -1.22 -4.95 119.74 121.23 2ron s LYS 205 Ca 0.16 -1.97 -0.20 0.00 -1.01 0.00 0.00 55.97 52.95 2ron s LYS 205 Cb -0.16 -2.70 0.31 0.00 -1.01 0.00 0.00 37.83 34.27 2ron s LYS 205 CO 0.10 -1.07 1.09 0.16 0.51 0.00 0.00 175.35 176.14 2ron s ASP 206 N 0.54 0.48 0.35 2.83 -4.77 -1.25 -4.64 116.67 110.21 2ron s ASP 206 Ca 0.15 0.59 0.09 0.00 -3.30 0.00 0.00 52.55 50.07 2ron s ASP 206 Cb -0.22 -0.79 0.65 0.00 -1.09 0.00 0.00 42.92 41.47 2ron s ASP 206 CO -0.06 -4.39 1.82 -0.29 0.70 0.00 0.00 175.17 172.95 2ron h ILE 207 N -2.76 1.24 -2.81 2.11 2.10 -1.73 -3.38 117.51 112.27 2ron h ILE 207 Ca -0.43 -1.11 -0.58 0.00 1.08 0.00 0.00 64.86 63.81 2ron h ILE 207 Cb 1.29 1.44 -0.40 0.00 -1.09 0.00 0.00 36.82 38.06 2ron h ILE 207 CO 0.30 0.34 -0.79 -0.89 -1.08 0.00 0.00 178.15 176.03 2ron s THR 208 N -4.45 0.53 -0.07 2.19 2.01 -1.26 -5.09 115.64 109.50 2ron s THR 208 Ca -0.05 -1.71 0.04 0.00 0.31 0.00 0.00 61.69 60.29 2ron s THR 208 Cb 0.15 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.26 2ron s THR 208 CO 0.75 -0.87 -0.20 0.72 -0.69 0.00 0.00 174.62 174.32 2ron s PHE 209 N 1.16 2.08 0.03 4.92 -0.71 -1.25 -1.99 117.98 122.22 2ron s PHE 209 Ca 0.15 -0.73 -0.20 0.00 -1.04 0.00 0.00 56.93 55.12 2ron s PHE 209 Cb -0.21 -1.41 0.04 0.00 -1.21 0.00 0.00 43.02 40.23 2ron s PHE 209 CO -0.10 -0.28 0.45 -1.58 -1.34 0.00 0.00 175.22 172.37 2ron s HIS 210 N 0.21 -0.33 -0.10 3.49 2.46 -1.24 -5.04 115.29 114.74 2ron s HIS 210 Ca -0.11 0.37 -0.04 0.00 0.47 0.00 0.00 55.06 55.75 2ron s HIS 210 Cb -0.15 0.25 0.05 0.00 -0.13 0.00 0.00 32.58 32.60 2ron s HIS 210 CO 0.05 -0.57 0.20 1.14 -2.47 0.00 0.00 174.74 173.09 2ron s GLN 211 N -2.22 0.08 -0.35 2.88 1.03 -1.25 -0.30 119.66 119.53 2ron s GLN 211 Ca -0.07 0.62 -0.13 0.00 0.04 0.00 0.00 55.36 55.83 2ron s GLN 211 Cb -0.01 -0.21 -0.01 0.00 0.03 0.00 0.00 33.01 32.80 2ron s GLN 211 CO -0.00 -0.31 0.24 0.12 -2.54 0.00 0.00 175.29 172.80 2ron s PHE 212 N 2.34 3.23 -0.13 9.60 5.36 -0.70 -4.92 117.98 132.76 2ron s PHE 212 Ca 0.03 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 2ron s PHE 212 Cb -0.12 -2.49 0.01 0.00 -0.34 0.00 0.00 43.02 40.08 2ron s PHE 212 CO -0.07 -0.39 -0.22 0.16 -1.46 0.00 0.00 175.22 173.25 2ron s ASP 213 N 1.71 3.04 0.00 6.13 1.47 -1.26 -0.35 116.67 127.41 2ron s ASP 213 Ca 0.06 -0.58 0.00 0.00 1.18 0.00 0.00 52.55 53.21 2ron s ASP 213 Cb -0.18 -1.40 0.00 0.00 -0.34 0.00 0.00 42.92 41.00 2ron s ASP 213 CO 0.10 0.09 0.43 0.61 0.68 0.00 0.00 175.17 177.08 2ron n GLY 214 N 3.98 -1.27 0.00 2.12 0.00 -1.22 -4.76 105.19 104.04 2ron n GLY 214 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N 0.66 0.74 0.38 -0.02 0.00 0.87 -4.81 105.19 103.00 2ron n GLY 215 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.40 2ron n GLY 215 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 216 N 0.00 0.35 -0.78 1.61 8.25 0.87 -3.92 115.22 121.59 2ron n HIS 216 Ca 0.00 -0.85 -0.33 0.00 -0.26 0.00 0.00 57.72 56.28 2ron n HIS 216 Cb 0.00 -0.18 0.13 0.00 1.12 0.00 0.00 29.99 31.06 2ron n HIS 216 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2ron n MET 217 N -0.85 -0.48 -0.20 -0.41 0.00 -1.02 -4.24 117.12 109.92 2ron n MET 217 Ca 0.15 -0.10 0.29 0.00 0.00 0.00 0.00 57.70 58.04 2ron n MET 217 Cb 0.66 -1.82 0.71 0.00 0.00 0.00 0.00 33.22 32.77 2ron n MET 217 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2ron h PHE 218 N -1.63 0.04 0.00 1.12 3.57 -1.88 0.26 116.94 118.43 2ron h PHE 218 Ca -0.45 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.60 2ron h PHE 218 Cb 1.29 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 2ron h PHE 218 CO 0.35 0.01 -2.52 -0.11 -2.23 0.00 0.00 178.31 173.81 2ron n LEU 219 N -4.28 2.06 -0.35 0.59 -0.00 -1.26 -3.87 117.00 109.89 2ron n LEU 219 Ca 0.19 0.29 0.12 0.00 -0.00 0.00 0.00 56.01 56.62 2ron n LEU 219 Cb 0.98 -0.83 0.31 0.00 -0.00 0.00 0.00 43.42 43.87 2ron n LEU 219 CO 0.38 0.61 1.21 -0.07 -0.00 0.00 0.00 177.39 179.52 2ron h LEU 220 N -0.90 0.82 -0.35 -1.96 3.38 -1.78 -0.19 115.31 114.32 2ron h LEU 220 Ca -0.69 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.21 2ron h LEU 220 Cb 1.64 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2ron h LEU 220 CO -0.39 0.33 -0.40 -1.28 0.09 0.00 0.00 178.44 176.79 2ron h SER 221 N 0.82 0.95 -1.01 -0.43 0.87 -0.60 -3.13 113.55 111.02 2ron h SER 221 Ca 0.56 -0.48 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2ron h SER 221 Cb 0.80 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 2ron h SER 221 CO -0.35 1.24 0.67 -0.61 -0.53 0.00 0.00 176.83 177.25 2ron h GLN 222 N 0.68 1.32 -4.30 2.24 -0.00 -1.20 -3.36 115.11 110.49 2ron h GLN 222 Ca 0.05 -0.08 -0.74 0.00 -0.00 0.00 0.00 58.65 57.88 2ron h GLN 222 Cb 0.99 -0.30 -0.25 0.00 0.00 0.00 0.00 27.48 27.93 2ron h GLN 222 CO 0.10 0.87 -0.35 0.95 0.00 0.00 0.00 178.83 180.40 2ron s THR 223 N -6.11 4.90 0.34 2.39 -4.23 -0.48 -4.92 115.64 107.52 2ron s THR 223 Ca -0.13 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2ron s THR 223 Cb 0.18 -4.01 0.11 0.00 1.34 0.00 0.00 72.50 70.13 2ron s THR 223 CO 0.82 -0.63 1.82 1.05 -0.54 0.00 0.00 174.62 177.14 2ron h GLU 224 N 8.67 0.00 0.17 3.99 4.11 -1.75 -3.12 114.58 126.65 2ron h GLU 224 Ca -0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.16 2ron h GLU 224 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2ron h GLU 224 CO 0.88 0.36 -0.20 0.93 0.07 0.00 0.00 179.01 181.05 2ron h GLU 225 N 0.00 -0.37 -0.92 1.06 4.39 -1.91 -1.88 114.58 114.95 2ron h GLU 225 Ca -0.00 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.89 2ron h GLU 225 Cb 0.69 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.32 2ron h GLU 225 CO 0.05 -0.24 0.50 -0.39 -1.16 0.00 0.00 179.01 177.77 2ron h VAL 226 N -0.38 0.70 -0.07 3.13 -1.51 -1.90 -0.40 116.25 115.82 2ron h VAL 226 Ca -0.02 -0.23 0.04 0.00 -1.23 0.00 0.00 66.70 65.26 2ron h VAL 226 Cb 0.34 -0.02 -0.06 0.00 -2.13 0.00 0.00 31.29 29.41 2ron h VAL 226 CO -0.04 0.12 -0.43 0.00 -1.23 0.00 0.00 177.57 175.99 2ron h ALA 227 N 1.61 -0.66 0.00 5.19 0.00 -1.41 0.22 119.26 124.21 2ron h ALA 227 Ca 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2ron h ALA 227 Cb 0.78 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2ron h ALA 227 CO -0.38 -0.96 -0.12 1.49 0.00 0.00 0.00 179.25 179.28 2ron h GLU 228 N -0.54 0.00 0.23 0.00 4.57 -0.64 -2.12 114.58 116.09 2ron h GLU 228 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2ron h GLU 228 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2ron h GLU 228 CO -0.37 0.12 -0.11 -0.09 -1.18 0.00 0.00 179.01 177.38 2ron h ARG 229 N 0.00 -0.30 -0.17 1.92 9.65 0.68 0.10 114.38 126.26 2ron h ARG 229 Ca -0.00 0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 2ron h ARG 229 Cb 0.49 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2ron h ARG 229 CO 0.02 -0.07 -0.28 0.82 2.80 0.00 0.00 179.97 183.26 2ron h ILE 230 N -0.50 1.35 -0.35 1.20 5.03 -1.15 -2.72 117.51 120.36 2ron h ILE 230 Ca -0.03 -1.52 0.04 0.00 -0.12 0.00 0.00 64.86 63.24 2ron h ILE 230 Cb 0.38 1.93 -0.04 0.00 -3.03 0.00 0.00 36.82 36.05 2ron h ILE 230 CO 0.05 0.46 0.11 0.15 -0.68 0.00 0.00 178.15 178.24 2ron h PHE 231 N 0.12 0.20 0.58 1.37 3.04 -1.42 0.27 116.94 121.10 2ron h PHE 231 Ca 0.01 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 2ron h PHE 231 Cb 0.86 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.34 2ron h PHE 231 CO 0.09 0.07 -0.33 0.00 -2.02 0.00 0.00 178.31 176.13 2ron h ALA 232 N 1.24 -1.19 -0.68 2.41 0.00 -1.00 -0.60 119.26 119.44 2ron h ALA 232 Ca 0.16 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.05 2ron h ALA 232 Cb 0.15 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2ron h ALA 232 CO -0.18 -1.14 0.46 0.97 0.00 0.00 0.00 179.25 179.36 2ron h ILE 233 N -0.84 0.77 -0.31 0.00 6.09 -1.42 0.29 117.51 122.09 2ron h ILE 233 Ca -0.08 -0.09 -0.11 0.00 -1.37 0.00 0.00 64.86 63.22 2ron h ILE 233 Cb 0.66 0.49 -0.01 0.00 0.47 0.00 0.00 36.82 38.43 2ron h ILE 233 CO 0.10 0.05 -0.25 0.25 -3.07 0.00 0.00 178.15 175.23 2ron h LEU 234 N 0.26 0.62 0.19 2.19 6.46 -0.14 0.43 115.31 125.32 2ron h LEU 234 Ca 0.33 -0.22 -0.28 0.00 -0.12 0.00 0.00 57.88 57.59 2ron h LEU 234 Cb 0.93 -0.17 0.02 0.00 -0.73 0.00 0.00 40.66 40.71 2ron h LEU 234 CO -0.07 0.85 -1.28 -1.13 -0.62 0.00 0.00 178.44 176.19 2ron h ASN 235 N 0.53 0.62 -0.04 1.25 -1.24 0.74 -3.28 115.58 114.17 2ron h ASN 235 Ca 0.07 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.16 2ron h ASN 235 Cb 0.72 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.56 2ron h ASN 235 CO 0.05 1.60 0.00 0.00 -1.29 0.00 0.00 177.43 177.80 2ron n GLN 236 N -3.87 1.32 -0.07 6.67 10.64 0.77 -4.24 117.38 128.60 2ron n GLN 236 Ca -0.18 -0.48 -0.13 0.00 -1.83 0.00 0.00 57.00 54.38 2ron n GLN 236 Cb 0.98 -1.43 -0.07 0.00 -0.86 0.00 0.00 30.24 28.85 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2ron h HIS 237 N 1.08 -1.44 0.00 2.61 2.76 -0.19 -1.24 115.15 118.72 2ron h HIS 237 Ca 0.00 0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 2ron h HIS 237 Cb 0.23 0.67 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 2ron h HIS 237 CO 0.02 -0.49 -0.44 -1.00 -1.30 0.00 0.00 177.93 174.72 2ron h PRO 238 N -0.45 0.00 -3.30 5.26 0.13 -1.83 -3.41 132.00 128.40 2ron h PRO 238 Ca 0.08 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.73 2ron h PRO 238 Cb 0.62 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.35 2ron h PRO 238 CO -0.51 0.44 -0.76 0.96 -0.23 0.00 0.00 178.00 177.91 2ron s ILE 239 N -3.90 0.21 0.88 -3.56 -4.36 -0.50 -5.15 121.20 104.83 2ron s ILE 239 Ca -0.02 -0.34 -0.13 0.00 -0.26 0.00 0.00 60.65 59.89 2ron s ILE 239 Cb 0.13 -0.79 0.14 0.00 1.25 0.00 0.00 42.46 43.20 2ron s ILE 239 CO 0.72 -0.23 1.24 0.27 0.24 0.00 0.00 174.94 177.18 2ron s ILE 240 N 2.00 2.02 0.11 8.37 -5.25 -1.02 -4.30 121.20 123.13 2ron s ILE 240 Ca 0.01 -0.03 -0.12 0.00 -0.99 0.00 0.00 60.65 59.52 2ron s ILE 240 Cb -0.16 -2.99 0.01 0.00 2.95 0.00 0.00 42.46 42.27 2ron s ILE 240 CO -0.08 0.00 0.28 -1.10 -1.79 0.00 0.00 174.94 172.25 2ron s GLN 241 N -5.71 0.96 0.00 0.37 -0.21 -1.26 -5.09 119.66 108.72 2ron s GLN 241 Ca 0.68 -0.89 0.16 0.00 0.02 0.00 0.00 55.36 55.33 2ron s GLN 241 Cb -0.07 0.39 0.94 0.00 1.00 0.00 0.00 33.01 35.27 2ron s GLN 241 CO 0.51 -0.34 1.35 -0.35 -2.12 0.00 0.00 175.29 174.33