#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 -0.13 0.42 7.83 0.01 -1.22 -4.77 113.70 115.85 2ron s SER 2 Ca 0.00 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 56.70 2ron s SER 2 Cb 0.00 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 2ron s SER 2 CO 0.00 -0.98 0.27 -1.10 0.41 0.00 0.00 173.24 171.84 2ron s GLN 3 N -3.91 2.35 -0.28 12.44 -0.21 -1.13 -3.92 119.66 125.00 2ron s GLN 3 Ca 0.12 -1.73 -0.18 0.00 0.02 0.00 0.00 55.36 53.59 2ron s GLN 3 Cb 0.01 -2.14 0.10 0.00 1.00 0.00 0.00 33.01 31.98 2ron s GLN 3 CO -0.02 -0.17 0.81 -0.48 -2.12 0.00 0.00 175.29 173.30 2ron s LEU 4 N -4.01 -0.75 0.07 2.90 2.34 -1.26 -1.08 118.68 116.88 2ron s LEU 4 Ca 0.43 1.25 -0.14 0.00 0.06 0.00 0.00 54.13 55.73 2ron s LEU 4 Cb 0.01 2.16 -0.06 0.00 -0.56 0.00 0.00 46.19 47.74 2ron s LEU 4 CO 0.25 -0.20 0.46 0.12 -1.06 0.00 0.00 176.35 175.92 2ron s PHE 5 N 1.28 3.67 -0.12 3.48 5.36 -0.82 -4.90 117.98 125.94 2ron s PHE 5 Ca -0.07 0.99 -0.09 0.00 -0.96 0.00 0.00 56.93 56.79 2ron s PHE 5 Cb -0.05 -2.30 0.04 0.00 -0.34 0.00 0.00 43.02 40.37 2ron s PHE 5 CO -0.15 0.55 0.30 -1.59 -1.46 0.00 0.00 175.22 172.87 2ron s LYS 6 N -1.54 0.33 -0.34 10.12 0.00 -1.25 -1.77 119.74 125.29 2ron s LYS 6 Ca 0.30 0.47 0.01 0.00 0.00 0.00 0.00 55.97 56.76 2ron s LYS 6 Cb -0.16 0.10 0.15 0.00 0.00 0.00 0.00 37.83 37.92 2ron s LYS 6 CO 0.17 -0.07 0.33 0.45 0.00 0.00 0.00 175.35 176.22 2ron s SER 7 N 0.48 1.50 0.67 0.03 0.15 -0.46 -4.98 113.70 111.08 2ron s SER 7 Ca -0.03 -1.28 -0.11 0.00 0.70 0.00 0.00 55.95 55.23 2ron s SER 7 Cb -0.04 0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2ron s SER 7 CO -0.02 -0.32 1.06 0.72 1.20 0.00 0.00 173.24 175.88 2ron s PHE 8 N 1.79 3.41 -0.31 3.44 -0.71 -1.26 -1.68 117.98 122.66 2ron s PHE 8 Ca 0.14 1.20 0.03 0.00 -1.04 0.00 0.00 56.93 57.26 2ron s PHE 8 Cb -0.15 -2.89 0.16 0.00 -1.21 0.00 0.00 43.02 38.93 2ron s PHE 8 CO -0.15 -0.99 0.43 -0.51 -1.34 0.00 0.00 175.22 172.65 2ron s ASP 9 N -4.19 0.23 -1.61 1.98 1.11 -1.26 -4.89 116.67 108.04 2ron s ASP 9 Ca 0.57 -0.57 0.00 0.00 0.18 0.00 0.00 52.55 52.73 2ron s ASP 9 Cb -0.12 1.15 0.00 0.00 1.07 0.00 0.00 42.92 45.02 2ron s ASP 9 CO 0.53 -0.32 0.00 0.00 1.18 0.00 0.00 175.17 176.56 2ron n ALA 10 N 5.11 -0.23 -3.97 5.23 0.00 -1.26 -3.31 120.51 122.08 2ron n ALA 10 Ca 0.03 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 2ron n ALA 10 Cb 0.50 -1.67 0.03 0.00 0.00 0.00 0.00 19.45 18.31 2ron n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ron n SER 11 N -0.59 -4.47 -0.00 0.00 7.64 -1.26 -4.92 113.62 110.02 2ron n SER 11 Ca -0.15 -1.23 -0.00 0.00 1.01 0.00 0.00 58.87 58.50 2ron n SER 11 Cb 0.52 -2.11 -0.00 0.00 -1.01 0.00 0.00 64.21 61.60 2ron n SER 11 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2ron h GLU 12 N -2.44 0.00 -3.71 1.43 4.57 -1.72 -3.45 114.58 109.26 2ron h GLU 12 Ca -0.70 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.17 2ron h GLU 12 Cb 1.39 0.00 -0.32 0.00 -0.16 0.00 0.00 28.75 29.66 2ron h GLU 12 CO 0.51 0.00 -0.74 0.15 -1.18 0.00 0.00 179.01 177.75 2ron s LYS 13 N -1.00 0.15 -0.10 1.92 1.02 -1.26 -4.77 119.74 115.70 2ron s LYS 13 Ca -0.00 0.08 -0.14 0.00 0.02 0.00 0.00 55.97 55.93 2ron s LYS 13 Cb 0.00 -0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 36.95 2ron s LYS 13 CO 0.00 -0.10 0.34 0.99 -0.92 0.00 0.00 175.35 175.65 2ron s THR 14 N 0.76 5.23 -0.28 2.17 2.01 -1.22 0.31 115.64 124.62 2ron s THR 14 Ca -0.07 0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 2ron s THR 14 Cb -0.10 -3.66 0.10 0.00 0.01 0.00 0.00 72.50 68.85 2ron s THR 14 CO -0.02 0.46 0.12 0.00 -0.69 0.00 0.00 174.62 174.49 2ron s GLN 15 N -0.11 0.29 -0.80 4.92 -2.07 -1.15 -1.24 119.66 119.51 2ron s GLN 15 Ca 0.20 -0.59 -0.18 0.00 -1.82 0.00 0.00 55.36 52.97 2ron s GLN 15 Cb -0.14 -1.40 0.14 0.00 -1.09 0.00 0.00 33.01 30.52 2ron s GLN 15 CO 0.07 -0.97 0.91 -1.17 -1.32 0.00 0.00 175.29 172.82 2ron s LEU 16 N 2.01 5.56 0.51 2.60 0.20 0.93 -2.42 118.68 128.07 2ron s LEU 16 Ca 0.08 -2.00 0.08 0.00 0.69 0.00 0.00 54.13 52.98 2ron s LEU 16 Cb -0.16 -2.33 0.05 0.00 -0.43 0.00 0.00 46.19 43.32 2ron s LEU 16 CO -0.31 -0.97 0.61 0.27 -0.29 0.00 0.00 176.35 175.66 2ron s ILE 17 N 2.10 2.33 -0.37 6.68 -4.36 0.11 -1.96 121.20 125.72 2ron s ILE 17 Ca 0.23 -1.14 0.03 0.00 -0.26 0.00 0.00 60.65 59.51 2ron s ILE 17 Cb -0.12 -2.47 0.16 0.00 1.25 0.00 0.00 42.46 41.28 2ron s ILE 17 CO -0.04 0.00 0.39 0.00 0.24 0.00 0.00 174.94 175.53 2ron n PHE 19 N 4.28 -1.63 -1.07 0.00 3.72 -1.26 -4.77 117.46 116.73 2ron n PHE 19 Ca 0.11 0.30 -0.30 0.00 -0.05 0.00 0.00 57.45 57.51 2ron n PHE 19 Cb 0.46 -3.14 0.25 0.00 -0.94 0.00 0.00 39.48 36.11 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 -6.74 -1.56 0.04 -1.08 0.04 -1.26 -5.05 135.00 119.41 2ron s PRO 20 Ca 0.43 -0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.33 2ron s PRO 20 Cb -0.20 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2ron s PRO 20 CO 0.92 -3.91 -0.14 -0.59 0.04 0.00 0.00 177.00 173.33 2ron s PHE 21 N -3.02 1.18 0.00 0.56 -0.71 -1.26 -5.08 117.98 109.65 2ron s PHE 21 Ca 0.72 -0.37 -0.07 0.00 -1.04 0.00 0.00 56.93 56.17 2ron s PHE 21 Cb -0.08 -0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 2ron s PHE 21 CO 0.56 0.03 0.84 0.00 -1.34 0.00 0.00 175.22 175.31 2ron h ALA 22 N 4.83 -0.80 -0.65 1.99 0.00 -1.98 -3.42 119.26 119.23 2ron h ALA 22 Ca -0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ron h ALA 22 Cb 1.18 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ron h ALA 22 CO 0.43 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 179.31 2ron n GLY 23 N -0.35 3.59 0.20 0.00 0.00 -1.26 -2.31 105.19 105.06 2ron n GLY 23 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.30 -0.02 0.00 -1.26 -4.45 105.19 99.76 2ron n GLY 24 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.32 0.00 1.61 -0.00 -1.89 -1.16 116.97 115.86 2ron h TYR 25 Ca 0.00 0.01 -0.17 0.00 -0.00 0.00 0.00 58.73 58.57 2ron h TYR 25 Cb 0.83 -0.11 -0.03 0.00 -0.00 0.00 0.00 36.73 37.43 2ron h TYR 25 CO 0.00 0.20 -0.95 1.03 -0.00 0.00 0.00 178.16 178.44 2ron h SER 26 N 0.34 0.00 -0.32 0.10 0.87 -1.71 -2.03 113.55 110.80 2ron h SER 26 Ca 0.12 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.58 2ron h SER 26 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2ron h SER 26 CO -0.03 0.72 -0.21 0.00 -0.53 0.00 0.00 176.83 176.78 2ron h ALA 27 N 1.28 0.46 0.05 6.23 0.00 -1.33 0.25 119.26 126.19 2ron h ALA 27 Ca -0.06 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 2ron h ALA 27 Cb 1.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2ron h ALA 27 CO 0.08 0.42 -1.29 1.03 0.00 0.00 0.00 179.25 179.48 2ron h SER 28 N 0.47 0.15 1.06 0.00 0.87 -1.44 -3.31 113.55 111.35 2ron h SER 28 Ca 0.06 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.29 2ron h SER 28 Cb 0.77 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 2ron h SER 28 CO 0.06 1.16 -0.69 0.15 -0.53 0.00 0.00 176.83 176.98 2ron h PHE 29 N 0.03 0.00 0.01 2.24 3.57 -1.38 -3.17 116.94 118.23 2ron h PHE 29 Ca -0.13 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.39 2ron h PHE 29 Cb 1.90 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.59 2ron h PHE 29 CO 0.02 0.69 -0.50 -0.09 -2.23 0.00 0.00 178.31 176.21 2ron h ARG 30 N 0.00 -0.63 0.00 1.11 2.43 -0.58 -1.17 114.38 115.54 2ron h ARG 30 Ca -0.01 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2ron h ARG 30 Cb 1.40 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2ron h ARG 30 CO 0.09 -0.42 -0.10 -1.00 -1.51 0.00 0.00 179.97 177.03 2ron h PRO 31 N -0.65 0.00 -0.25 0.20 0.13 -1.72 0.14 132.00 129.86 2ron h PRO 31 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.11 2ron h PRO 31 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 2ron h PRO 31 CO -0.34 0.10 -0.02 1.25 -0.23 0.00 0.00 178.00 178.76 2ron h LEU 32 N 0.00 0.44 0.00 1.56 7.12 -1.23 -1.80 115.31 121.40 2ron h LEU 32 Ca -0.00 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2ron h LEU 32 Cb 0.56 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 2ron h LEU 32 CO 0.01 0.66 -1.02 0.00 -0.13 0.00 0.00 178.44 177.96 2ron n HIS 33 N -4.61 0.76 0.18 1.25 1.44 -0.56 -2.22 115.22 111.46 2ron n HIS 33 Ca -0.04 0.22 0.06 0.00 -2.01 0.00 0.00 57.72 55.96 2ron n HIS 33 Cb 0.26 -0.83 0.19 0.00 0.12 0.00 0.00 29.99 29.73 2ron n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ron h ALA 34 N 2.14 0.84 0.00 1.59 0.00 -0.93 0.28 119.26 123.17 2ron h ALA 34 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2ron h ALA 34 Cb 0.93 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2ron h ALA 34 CO 0.00 0.43 -1.82 1.19 0.00 0.00 0.00 179.25 179.04 2ron n PHE 35 N -3.27 0.00 -0.03 0.00 3.72 -0.68 -4.53 117.46 112.68 2ron n PHE 35 Ca 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.40 2ron n PHE 35 Cb 0.60 -0.52 -0.13 0.00 -0.94 0.00 0.00 39.48 38.50 2ron n PHE 35 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2ron n LEU 36 N -2.27 0.38 -4.39 4.37 7.94 -0.94 -4.99 117.00 117.10 2ron n LEU 36 Ca -0.13 0.17 -0.19 0.00 -1.11 0.00 0.00 56.01 54.75 2ron n LEU 36 Cb 0.68 0.21 -0.10 0.00 0.53 0.00 0.00 43.42 44.73 2ron n LEU 36 CO 0.31 0.25 -0.26 -1.10 -1.11 0.00 0.00 177.39 175.47 2ron s GLN 37 N -2.88 1.55 -0.12 1.96 -0.21 1.00 -5.02 119.66 115.93 2ron s GLN 37 Ca -0.07 -1.85 -0.32 0.00 0.02 0.00 0.00 55.36 53.14 2ron s GLN 37 Cb 0.09 -0.58 0.13 0.00 1.00 0.00 0.00 33.01 33.64 2ron s GLN 37 CO 0.84 -0.24 1.08 0.20 -2.12 0.00 0.00 175.29 175.04 2ron s GLY 38 N -3.41 -0.34 -1.16 3.09 0.00 -1.26 -4.18 107.32 100.07 2ron s GLY 38 Ca 0.37 1.48 -0.15 0.00 0.00 0.00 0.00 44.72 46.42 2ron s GLY 38 CO 0.15 0.53 0.78 -2.21 0.00 0.00 0.00 173.10 172.35 2ron n GLU 39 N -0.05 -1.95 -4.04 2.90 2.13 -1.26 -4.79 120.64 113.58 2ron n GLU 39 Ca -0.04 0.54 -0.31 0.00 0.66 0.00 0.00 57.16 58.01 2ron n GLU 39 Cb 0.59 -4.54 -0.06 0.00 0.27 0.00 0.00 31.44 27.70 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ron s GLU 41 N -2.19 3.18 -0.49 0.00 2.12 0.15 -4.71 118.70 116.76 2ron s GLU 41 Ca 0.28 1.90 -0.28 0.00 0.36 0.00 0.00 54.97 57.24 2ron s GLU 41 Cb -0.12 -4.33 0.03 0.00 0.26 0.00 0.00 34.13 29.96 2ron s GLU 41 CO 0.20 -2.05 1.08 -1.64 -0.54 0.00 0.00 175.26 172.32 2ron s MET 42 N 6.19 3.63 -0.17 4.30 -1.94 -0.68 -2.93 119.30 127.70 2ron s MET 42 Ca 0.96 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 55.32 2ron s MET 42 Cb -0.31 -3.93 0.03 0.00 2.01 0.00 0.00 34.83 32.63 2ron s MET 42 CO 0.35 -1.38 -0.10 -1.17 -0.01 0.00 0.00 175.02 172.70 2ron s LEU 43 N 4.31 1.82 -0.02 -0.03 2.96 -1.02 -1.36 118.68 125.35 2ron s LEU 43 Ca 0.44 -0.65 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2ron s LEU 43 Cb -0.08 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.54 2ron s LEU 43 CO 0.29 -0.13 0.01 0.00 -1.32 0.00 0.00 176.35 175.21 2ron s ALA 44 N 1.52 0.19 0.88 5.97 0.00 -0.73 0.05 121.76 129.63 2ron s ALA 44 Ca 0.02 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 2ron s ALA 44 Cb -0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 2ron s ALA 44 CO -0.09 -0.08 0.37 0.00 0.00 0.00 0.00 175.76 175.95 2ron n ALA 45 N 4.11 -2.44 -2.41 0.00 0.00 -0.63 -1.94 120.51 117.19 2ron n ALA 45 Ca -0.27 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.59 2ron n ALA 45 Cb 0.51 -1.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 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 -3.24 0.82 0.96 0.00 2.02 -0.24 -4.55 118.70 114.46 2ron s GLU 46 Ca 0.58 -1.09 -0.12 0.00 0.02 0.00 0.00 54.97 54.36 2ron s GLU 46 Cb -0.25 0.30 0.17 0.00 0.10 0.00 0.00 34.13 34.44 2ron s GLU 46 CO 0.65 -0.24 1.09 -1.25 0.02 0.00 0.00 175.26 175.54 2ron s PRO 47 N -3.90 0.75 0.02 0.39 0.04 -1.26 -2.83 135.00 128.20 2ron s PRO 47 Ca 0.08 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.46 2ron s PRO 47 Cb 0.06 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 2ron s PRO 47 CO -0.09 -2.54 1.43 -1.25 0.04 0.00 0.00 177.00 174.59 2ron s PRO 48 N -4.95 4.28 0.00 0.56 0.04 -1.26 -3.69 135.00 129.97 2ron s PRO 48 Ca 0.65 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2ron s PRO 48 Cb -0.18 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2ron s PRO 48 CO 0.57 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2ron n GLY 49 N 3.67 0.72 3.26 0.56 0.00 -1.26 -5.00 105.19 107.13 2ron n GLY 49 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2ron n GLY 49 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ron s HIS 50 N 0.88 2.62 0.00 1.61 2.46 -1.26 -5.05 115.29 116.55 2ron s HIS 50 Ca 0.00 -0.95 0.00 0.00 0.47 0.00 0.00 55.06 54.58 2ron s HIS 50 Cb 0.00 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 2ron s HIS 50 CO 0.00 -0.37 0.00 0.41 -2.47 0.00 0.00 174.74 172.31 2ron n GLY 51 N 3.52 4.19 0.12 1.59 0.00 -1.26 -4.94 105.19 108.41 2ron n GLY 51 Ca -0.19 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 2ron n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ron n THR 52 N -0.13 1.59 -0.87 2.61 -2.24 -1.26 -4.31 114.28 109.67 2ron n THR 52 Ca 0.00 -0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 2ron n THR 52 Cb 0.00 -1.86 0.27 0.00 -2.10 0.00 0.00 70.33 66.64 2ron n THR 52 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ron n ASN 53 N -4.02 4.51 -4.46 3.42 6.94 -1.26 -4.85 115.26 115.54 2ron n ASN 53 Ca -0.39 -3.15 -0.43 0.00 -0.02 0.00 0.00 54.58 50.59 2ron n ASN 53 Cb 0.85 -0.74 -0.04 0.00 -2.36 0.00 0.00 39.78 37.50 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2ron s GLN 54 N -2.79 3.13 -0.15 -3.83 1.11 -1.26 -5.01 119.66 110.86 2ron s GLN 54 Ca 0.51 -0.80 0.02 0.00 0.01 0.00 0.00 55.36 55.09 2ron s GLN 54 Cb 0.41 -4.21 0.02 0.00 -1.01 0.00 0.00 33.01 28.22 2ron s GLN 54 CO 0.12 -1.75 -0.19 0.99 0.01 0.00 0.00 175.29 174.47 2ron s THR 55 N 3.94 1.88 0.00 -0.19 2.01 -1.26 -3.32 115.64 118.70 2ron s THR 55 Ca 0.22 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 2ron s THR 55 Cb -0.17 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.58 2ron s THR 55 CO 0.11 0.51 0.86 0.28 -0.69 0.00 0.00 174.62 175.69 2ron h SER 56 N 7.63 -0.36 -4.03 3.53 0.02 -1.95 -3.47 113.55 114.93 2ron h SER 56 Ca -0.37 0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.25 2ron h SER 56 Cb 1.16 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2ron h SER 56 CO 0.56 -0.18 -0.46 0.00 -1.14 0.00 0.00 176.83 175.60 2ron n ALA 57 N -2.32 -0.83 -3.61 3.77 0.00 -1.26 -2.28 120.51 113.99 2ron n ALA 57 Ca -0.05 0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.25 2ron n ALA 57 Cb 0.17 -2.34 0.05 0.00 0.00 0.00 0.00 19.45 17.33 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 -3.84 -6.39 -0.91 0.00 -0.00 -1.26 -4.87 119.36 102.08 2ron n ILE 58 Ca -0.14 -1.02 0.02 0.00 -0.00 0.00 0.00 62.75 61.61 2ron n ILE 58 Cb 0.62 -4.70 0.03 0.00 -0.00 0.00 0.00 39.64 35.59 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 -4.02 1.18 -0.00 0.38 1.02 -0.96 -4.77 120.64 113.46 2ron n GLU 59 Ca -0.10 -1.35 -0.08 0.00 -0.02 0.00 0.00 57.16 55.61 2ron n GLU 59 Cb 0.60 -0.87 0.08 0.00 -0.02 0.00 0.00 31.44 31.23 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 0.61 -0.06 1.62 2.03 -1.91 -2.13 116.42 116.57 2ron h ASP 60 Ca 0.00 -0.29 0.04 0.00 -0.73 0.00 0.00 57.03 56.05 2ron h ASP 60 Cb 0.93 -0.17 -0.05 0.00 -0.83 0.00 0.00 39.33 39.21 2ron h ASP 60 CO 0.00 0.98 -0.24 -0.07 -1.03 0.00 0.00 179.24 178.88 2ron h LEU 61 N 0.45 -0.73 -0.05 0.15 3.38 -1.99 0.19 115.31 116.72 2ron h LEU 61 Ca 0.03 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2ron h LEU 61 Cb 0.99 0.31 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2ron h LEU 61 CO 0.09 -0.30 -0.02 -0.33 0.09 0.00 0.00 178.44 177.97 2ron h GLU 62 N -0.34 0.10 -0.89 1.13 4.39 -1.92 0.28 114.58 117.32 2ron h GLU 62 Ca 0.08 -0.04 0.20 0.00 0.34 0.00 0.00 59.36 59.94 2ron h GLU 62 Cb 0.46 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 2ron h GLU 62 CO -0.26 0.46 0.59 1.49 -1.16 0.00 0.00 179.01 180.13 2ron h GLU 63 N -0.28 0.42 0.00 2.33 4.81 -1.17 0.38 114.58 121.08 2ron h GLU 63 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ron h GLU 63 Cb 0.43 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2ron h GLU 63 CO 0.01 0.28 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.26 2ron h LEU 64 N 0.43 0.00 -1.94 1.64 -0.00 -0.49 -2.15 115.31 112.80 2ron h LEU 64 Ca 0.46 0.00 0.25 0.00 -0.00 0.00 0.00 57.88 58.60 2ron h LEU 64 Cb 1.11 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.74 2ron h LEU 64 CO -0.18 0.61 0.68 0.71 -0.00 0.00 0.00 178.44 180.26 2ron h THR 65 N -0.98 0.45 0.07 0.22 1.35 -0.27 0.26 112.91 114.01 2ron h THR 65 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 2ron h THR 65 Cb 0.23 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2ron h THR 65 CO 0.00 0.00 -1.09 -0.78 -0.25 0.00 0.00 175.52 173.40 2ron h ASP 66 N 0.00 0.22 0.38 5.36 1.82 -0.38 0.26 116.42 124.08 2ron h ASP 66 Ca 0.41 -0.80 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 2ron h ASP 66 Cb 1.78 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.71 2ron h ASP 66 CO -0.00 1.46 0.00 -0.11 -1.61 0.00 0.00 179.24 178.98 2ron n LEU 67 N -4.18 0.12 -0.03 2.28 7.94 -0.30 -0.05 117.00 122.77 2ron n LEU 67 Ca -0.24 0.54 -0.07 0.00 -1.11 0.00 0.00 56.01 55.13 2ron n LEU 67 Cb 0.77 -0.53 -0.02 0.00 0.53 0.00 0.00 43.42 44.16 2ron n LEU 67 CO 0.34 -0.39 -0.62 -1.22 -1.11 0.00 0.00 177.39 174.40 2ron n TYR 68 N -1.64 0.00 -0.52 1.96 4.01 0.78 -4.68 117.16 117.07 2ron n TYR 68 Ca 0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.69 2ron n TYR 68 Cb 0.13 -0.26 0.20 0.00 -0.31 0.00 0.00 39.34 39.11 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 -3.49 2.78 -0.29 -0.72 4.76 0.91 -4.61 118.16 117.49 2ron n LYS 69 Ca -0.13 -2.25 -0.02 0.00 -2.87 0.00 0.00 58.31 53.04 2ron n LYS 69 Cb 0.49 -1.95 0.03 0.00 -1.84 0.00 0.00 35.03 31.76 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 1.70 -0.07 -6.73 1.97 4.15 -0.55 -3.38 115.11 112.20 2ron h GLN 70 Ca 0.26 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.35 2ron h GLN 70 Cb 2.03 0.02 0.20 0.00 0.21 0.00 0.00 27.48 29.93 2ron h GLN 70 CO 0.61 -0.05 -0.17 0.39 -1.93 0.00 0.00 178.83 177.69 2ron n GLU 71 N -5.46 -4.29 -1.51 1.69 1.02 -1.26 -4.70 120.64 106.13 2ron n GLU 71 Ca 0.08 -1.27 -0.43 0.00 -0.02 0.00 0.00 57.16 55.52 2ron n GLU 71 Cb 0.38 -1.83 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 2ron n GLU 71 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ron n LEU 72 N -4.80 1.90 -4.56 -4.62 4.77 -1.26 -4.90 117.00 103.53 2ron n LEU 72 Ca 0.12 0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 2ron n LEU 72 Cb 0.54 -1.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.22 2ron n LEU 72 CO 0.36 -1.03 -0.19 0.54 -1.33 0.00 0.00 177.39 175.73 2ron s ASN 73 N 9.54 3.09 0.49 -1.43 4.22 -1.26 -5.14 114.94 124.44 2ron s ASN 73 Ca 1.10 -1.71 0.07 0.00 -2.14 0.00 0.00 52.86 50.18 2ron s ASN 73 Cb -0.65 0.58 0.08 0.00 1.28 0.00 0.00 41.25 42.54 2ron s ASN 73 CO 0.40 -0.96 0.66 0.18 -2.04 0.00 0.00 177.10 175.33 2ron n LEU 74 N -1.00 0.00 -4.42 3.54 4.32 -1.26 -5.08 117.00 113.10 2ron n LEU 74 Ca -0.09 -1.95 -0.33 0.00 -0.02 0.00 0.00 56.01 53.63 2ron n LEU 74 Cb 0.65 -0.36 0.13 0.00 -1.62 0.00 0.00 43.42 42.22 2ron n LEU 74 CO 0.35 -0.70 -0.08 0.54 -1.22 0.00 0.00 177.39 176.28 2ron n ARG 75 N -2.06 -0.48 0.00 3.23 1.74 -1.26 -5.00 116.66 112.83 2ron n ARG 75 Ca 0.13 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2ron n ARG 75 Cb 0.48 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2ron n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ron n PRO 76 N -1.95 -0.30 -2.22 5.56 -0.04 -1.26 -4.91 135.00 129.88 2ron n PRO 76 Ca 0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 2ron n PRO 76 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 2ron n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ron s ASP 77 N -1.51 6.34 0.10 3.54 1.11 -1.26 -4.92 116.67 120.07 2ron s ASP 77 Ca 0.00 1.26 -0.35 0.00 0.18 0.00 0.00 52.55 53.64 2ron s ASP 77 Cb 0.00 -2.53 -0.15 0.00 1.07 0.00 0.00 42.92 41.30 2ron s ASP 77 CO 0.00 -1.35 1.57 0.03 1.18 0.00 0.00 175.17 176.60 2ron h ARG 78 N 10.79 -0.83 -7.12 8.23 3.08 -1.91 -3.43 114.38 123.20 2ron h ARG 78 Ca -0.30 0.06 -0.50 0.00 0.07 0.00 0.00 59.98 59.30 2ron h ARG 78 Cb 1.13 0.19 0.08 0.00 0.08 0.00 0.00 29.97 31.45 2ron h ARG 78 CO 1.04 -0.55 0.41 -1.25 -1.07 0.00 0.00 179.97 178.55 2ron s PRO 79 N -5.85 3.19 -0.30 0.04 0.04 -1.26 -4.55 135.00 126.30 2ron s PRO 79 Ca -0.17 1.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.31 2ron s PRO 79 Cb 0.05 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.75 2ron s PRO 79 CO 0.61 -0.97 0.73 0.12 0.04 0.00 0.00 177.00 177.53 2ron s PHE 80 N -1.94 -1.20 -0.16 0.56 2.19 0.11 -3.42 117.98 114.11 2ron s PHE 80 Ca 0.71 1.96 -0.00 0.00 0.33 0.00 0.00 56.93 59.93 2ron s PHE 80 Cb -0.23 0.67 -0.00 0.00 -1.31 0.00 0.00 43.02 42.15 2ron s PHE 80 CO 0.31 -0.60 -0.14 0.14 1.83 0.00 0.00 175.22 176.76 2ron s VAL 81 N 2.79 2.77 -0.19 3.12 -7.23 -0.37 -3.80 120.40 117.50 2ron s VAL 81 Ca -0.02 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.40 2ron s VAL 81 Cb -0.11 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2ron s VAL 81 CO -0.19 0.51 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.80 2ron s LEU 82 N 0.87 2.77 -0.37 1.32 0.20 -1.23 -0.05 118.68 122.19 2ron s LEU 82 Ca -0.04 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.43 2ron s LEU 82 Cb -0.15 -1.67 0.11 0.00 -0.43 0.00 0.00 46.19 44.04 2ron s LEU 82 CO -0.01 0.05 0.09 -0.36 -0.29 0.00 0.00 176.35 175.83 2ron s PHE 83 N 1.06 3.67 0.00 5.38 0.08 -0.83 -4.27 117.98 123.07 2ron s PHE 83 Ca 0.00 -3.00 0.00 0.00 0.12 0.00 0.00 56.93 54.05 2ron s PHE 83 Cb -0.15 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 2ron s PHE 83 CO -0.01 -0.92 0.00 0.41 -0.10 0.00 0.00 175.22 174.60 2ron n GLY 84 N 4.09 1.01 3.99 4.36 0.00 -1.26 -2.29 105.19 115.09 2ron n GLY 84 Ca 0.04 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 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 1.35 1.36 -0.37 1.61 0.09 -1.26 -4.87 115.29 113.20 2ron s HIS 85 Ca 0.00 -0.31 0.08 0.00 -0.00 0.00 0.00 55.06 54.82 2ron s HIS 85 Cb 0.00 -3.06 0.65 0.00 -0.00 0.00 0.00 32.58 30.16 2ron s HIS 85 CO 0.00 -1.88 1.69 0.43 -0.00 0.00 0.00 174.74 174.99 2ron n SER 86 N -2.94 4.38 0.00 1.40 7.64 -1.26 -4.37 113.62 118.47 2ron n SER 86 Ca 0.16 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.94 2ron n SER 86 Cb 0.61 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2ron n SER 86 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ron n MET 87 N -0.20 0.00 0.00 1.43 2.81 -1.26 -5.06 117.12 114.84 2ron n MET 87 Ca 0.38 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 2ron n MET 87 Cb 1.30 -0.20 0.00 0.00 -0.71 0.00 0.00 33.22 33.61 2ron n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ron n GLY 88 N 2.65 1.53 0.00 3.03 0.00 -1.26 -5.06 105.19 106.08 2ron n GLY 88 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -0.05 0.24 -0.02 0.00 -1.26 -4.64 105.19 99.45 2ron n GLY 89 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 2ron n GLY 89 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ron h MET 90 N 0.00 0.59 0.13 1.61 4.05 -1.95 -2.26 114.93 117.10 2ron h MET 90 Ca 0.00 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.14 2ron h MET 90 Cb 0.00 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2ron h MET 90 CO 0.00 0.85 -0.06 0.82 0.23 0.00 0.00 176.91 178.75 2ron h ILE 91 N 0.50 0.80 -0.70 1.77 2.04 -1.96 -0.92 117.51 119.04 2ron h ILE 91 Ca 0.05 -1.26 0.14 0.00 1.00 0.00 0.00 64.86 64.79 2ron h ILE 91 Cb 0.83 1.41 -0.10 0.00 -0.74 0.00 0.00 36.82 38.22 2ron h ILE 91 CO 0.07 0.23 0.21 0.00 0.00 0.00 0.00 178.15 178.66 2ron h THR 92 N -0.92 0.60 -0.22 -0.27 1.03 -1.96 -1.26 112.91 109.91 2ron h THR 92 Ca -0.02 -0.11 -0.15 0.00 -0.01 0.00 0.00 66.41 66.12 2ron h THR 92 Cb 0.51 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 67.83 2ron h THR 92 CO 0.03 0.06 -0.46 0.15 -0.01 0.00 0.00 175.52 175.29 2ron h PHE 93 N 0.33 0.88 -0.69 0.00 3.04 -1.51 -2.16 116.94 116.83 2ron h PHE 93 Ca 0.38 -0.33 0.15 0.00 3.98 0.00 0.00 57.97 62.16 2ron h PHE 93 Cb 0.61 -0.16 -0.11 0.00 2.56 0.00 0.00 35.95 38.85 2ron h PHE 93 CO -0.22 1.11 0.10 -0.09 -2.02 0.00 0.00 178.31 177.18 2ron h ARG 94 N 0.40 0.19 -0.11 1.11 2.43 -0.04 0.35 114.38 118.72 2ron h ARG 94 Ca 0.00 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 2ron h ARG 94 Cb 1.07 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2ron h ARG 94 CO 0.10 0.13 -0.64 -0.07 -1.51 0.00 0.00 179.97 177.97 2ron h LEU 95 N 0.20 0.76 0.65 3.80 4.07 -1.36 -2.17 115.31 121.26 2ron h LEU 95 Ca 0.38 -0.65 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 2ron h LEU 95 Cb 0.63 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 2ron h LEU 95 CO -0.53 1.29 -0.41 0.00 -1.08 0.00 0.00 178.44 177.72 2ron h ALA 96 N 0.49 -1.21 -0.43 1.53 0.00 -0.55 -0.69 119.26 118.40 2ron h ALA 96 Ca -0.05 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2ron h ALA 96 Cb 1.29 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2ron h ALA 96 CO 0.13 -1.17 0.16 0.37 0.00 0.00 0.00 179.25 178.74 2ron h GLN 97 N -0.99 0.33 -0.28 0.00 -0.00 -0.49 -0.45 115.11 113.23 2ron h GLN 97 Ca -0.09 -0.02 0.07 0.00 -0.00 0.00 0.00 58.65 58.61 2ron h GLN 97 Cb 0.80 -0.07 -0.07 0.00 0.00 0.00 0.00 27.48 28.13 2ron h GLN 97 CO 0.09 0.22 -0.23 -0.22 0.00 0.00 0.00 178.83 178.68 2ron h LYS 98 N 0.34 -0.21 0.00 1.69 3.11 -1.30 0.77 116.57 120.97 2ron h LYS 98 Ca 0.20 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.01 2ron h LYS 98 Cb 0.17 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 2ron h LYS 98 CO -0.19 -0.14 -0.21 -0.07 -2.81 0.00 0.00 179.45 176.04 2ron h LEU 99 N -0.21 0.00 0.11 5.20 4.07 -0.73 -1.31 115.31 122.44 2ron h LEU 99 Ca 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2ron h LEU 99 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2ron h LEU 99 CO -0.41 0.21 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.02 2ron h GLU 100 N 0.00 -0.15 -0.72 1.13 4.81 0.80 -0.18 114.58 120.28 2ron h GLU 100 Ca -0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2ron h GLU 100 Cb 0.41 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 2ron h GLU 100 CO 0.03 -0.10 0.47 0.07 -0.73 0.00 0.00 179.01 178.75 2ron h ARG 101 N -0.19 0.66 -0.53 1.92 0.11 -1.26 -0.87 114.38 114.22 2ron h ARG 101 Ca -0.02 -0.04 -0.07 0.00 0.10 0.00 0.00 59.98 59.96 2ron h ARG 101 Cb 0.12 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 2ron h ARG 101 CO 0.03 0.44 0.05 0.93 0.10 0.00 0.00 179.97 181.51 2ron h GLU 102 N 0.68 0.86 -0.31 0.08 4.39 -1.26 -2.97 114.58 116.05 2ron h GLU 102 Ca 0.32 -0.22 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 2ron h GLU 102 Cb 0.37 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2ron h GLU 102 CO -0.11 0.82 -0.48 0.78 -1.16 0.00 0.00 179.01 178.87 2ron h GLY 103 N 0.99 0.92 -5.66 -3.84 0.00 0.36 -3.46 103.07 92.39 2ron h GLY 103 Ca 0.16 -1.01 0.15 0.00 0.00 0.00 0.00 47.33 46.63 2ron h GLY 103 CO 0.01 0.91 0.28 -1.50 0.00 0.00 0.00 176.54 176.24 2ron s ILE 104 N -4.22 -0.32 -0.00 2.60 1.10 -0.78 -4.75 121.20 114.82 2ron s ILE 104 Ca -0.10 0.00 -0.24 0.00 -0.51 0.00 0.00 60.65 59.80 2ron s ILE 104 Cb 0.11 -1.00 -0.15 0.00 0.15 0.00 0.00 42.46 41.57 2ron s ILE 104 CO 0.88 0.00 1.06 0.15 -2.11 0.00 0.00 174.94 174.92 2ron h PHE 105 N 6.96 -0.53 -1.14 3.50 3.57 -1.83 -3.40 116.94 124.07 2ron h PHE 105 Ca -0.20 -0.01 -0.36 0.00 3.53 0.00 0.00 57.97 60.92 2ron h PHE 105 Cb 1.14 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.02 2ron h PHE 105 CO 0.17 -0.21 0.94 -1.25 -2.23 0.00 0.00 178.31 175.73 2ron s PRO 106 N -4.33 2.57 0.51 6.41 0.04 -1.26 -4.95 135.00 133.99 2ron s PRO 106 Ca -0.13 0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.00 2ron s PRO 106 Cb 0.02 -4.83 0.03 0.00 0.04 0.00 0.00 34.50 29.75 2ron s PRO 106 CO 0.45 -3.17 0.48 -0.65 0.04 0.00 0.00 177.00 174.16 2ron s GLN 107 N 7.03 2.36 0.00 4.56 -0.21 -1.26 -4.88 119.66 127.26 2ron s GLN 107 Ca 0.69 -1.78 0.00 0.00 0.02 0.00 0.00 55.36 54.29 2ron s GLN 107 Cb -0.09 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.62 2ron s GLN 107 CO 0.07 -0.54 0.00 0.00 -2.12 0.00 0.00 175.29 172.70 2ron n ALA 108 N -1.80 2.66 -2.61 6.09 0.00 -1.26 -4.99 120.51 118.60 2ron n ALA 108 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2ron n ALA 108 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 2ron n ALA 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ron s VAL 109 N -0.66 4.42 -0.03 0.00 1.01 -1.25 -2.71 120.40 121.18 2ron s VAL 109 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 2ron s VAL 109 Cb 0.00 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.89 2ron s VAL 109 CO 0.00 -1.00 0.10 -0.63 0.00 0.00 0.00 175.10 173.57 2ron s ILE 110 N 3.89 0.01 -0.04 2.22 1.09 -0.85 0.04 121.20 127.56 2ron s ILE 110 Ca 0.33 -0.10 0.05 0.00 -1.10 0.00 0.00 60.65 59.82 2ron s ILE 110 Cb -0.11 -0.19 -0.01 0.00 -1.06 0.00 0.00 42.46 41.09 2ron s ILE 110 CO 0.22 -0.06 -0.18 -0.51 -0.10 0.00 0.00 174.94 174.31 2ron s ILE 111 N -0.14 1.51 -0.17 2.92 -1.16 -1.25 -2.94 121.20 119.96 2ron s ILE 111 Ca -0.02 -0.77 -0.03 0.00 -0.51 0.00 0.00 60.65 59.32 2ron s ILE 111 Cb -0.02 -1.29 -0.02 0.00 0.61 0.00 0.00 42.46 41.74 2ron s ILE 111 CO 0.00 0.43 -0.05 -0.44 -2.81 0.00 0.00 174.94 172.07 2ron s SER 112 N -0.03 4.54 0.49 4.50 0.01 -1.11 -3.55 113.70 118.55 2ron s SER 112 Ca -0.03 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.01 2ron s SER 112 Cb -0.11 -1.74 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 2ron s SER 112 CO 0.02 0.12 0.04 0.00 0.41 0.00 0.00 173.24 173.83 2ron s ALA 113 N 0.67 3.87 -1.14 1.44 0.00 -1.26 -3.24 121.76 122.11 2ron s ALA 113 Ca -0.03 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 2ron s ALA 113 Cb -0.15 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2ron s ALA 113 CO 0.02 -0.10 0.83 -0.89 0.00 0.00 0.00 175.76 175.62 2ron n ILE 114 N -1.20 -6.83 -2.98 0.00 5.41 -1.26 -4.70 119.36 107.81 2ron n ILE 114 Ca -0.17 -1.02 -0.43 0.00 1.00 0.00 0.00 62.75 62.13 2ron n ILE 114 Cb 0.66 -5.05 -0.06 0.00 -0.71 0.00 0.00 39.64 34.49 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -5.40 3.44 0.97 0.38 1.11 -1.26 -4.48 119.66 114.42 2ron s GLN 115 Ca 0.38 -0.07 -0.12 0.00 0.01 0.00 0.00 55.36 55.56 2ron s GLN 115 Cb -0.10 -3.92 0.17 0.00 -1.01 0.00 0.00 33.01 28.15 2ron s GLN 115 CO 0.81 -1.06 1.09 -1.25 0.01 0.00 0.00 175.29 174.89 2ron s PRO 116 N 3.21 0.67 0.06 2.91 0.04 -1.26 -2.81 135.00 137.81 2ron s PRO 116 Ca 0.29 0.61 -0.19 0.00 0.04 0.00 0.00 61.00 61.75 2ron s PRO 116 Cb -0.12 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 2ron s PRO 116 CO 0.21 -2.59 1.37 -1.00 0.04 0.00 0.00 177.00 175.03 2ron h PRO 117 N -1.79 0.45 -6.62 0.56 0.13 -1.94 -3.44 132.00 119.34 2ron h PRO 117 Ca -0.53 -0.23 -0.59 0.00 -0.87 0.00 0.00 66.00 63.78 2ron h PRO 117 Cb 1.32 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.56 2ron h PRO 117 CO 0.57 0.80 0.38 -2.39 -0.23 0.00 0.00 178.00 177.13 2ron n HIS 118 N -4.48 1.88 -4.12 1.56 1.44 -1.26 -4.91 115.22 105.33 2ron n HIS 118 Ca -0.05 0.60 -0.08 0.00 -2.01 0.00 0.00 57.72 56.17 2ron n HIS 118 Cb 0.39 -2.36 -0.10 0.00 0.12 0.00 0.00 29.99 28.04 2ron n HIS 118 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2ron s ILE 119 N -0.93 0.39 -0.68 0.61 -0.00 -1.26 -4.77 121.20 114.56 2ron s ILE 119 Ca 0.59 -1.85 -0.26 0.00 -0.00 0.00 0.00 60.65 59.13 2ron s ILE 119 Cb -0.63 -1.57 -0.05 0.00 -0.00 0.00 0.00 42.46 40.20 2ron s ILE 119 CO 0.60 -0.95 2.08 -1.58 -0.00 0.00 0.00 174.94 175.09 2ron s GLN 120 N -3.88 2.35 -0.09 0.37 2.00 -1.26 -4.90 119.66 114.25 2ron s GLN 120 Ca 0.09 0.57 -0.37 0.00 -2.00 0.00 0.00 55.36 53.65 2ron s GLN 120 Cb 0.07 -4.64 -0.14 0.00 0.80 0.00 0.00 33.01 29.09 2ron s GLN 120 CO -0.08 -3.24 1.70 2.89 -0.50 0.00 0.00 175.29 176.06 2ron n ARG 121 N 9.02 1.64 -4.26 1.67 1.85 -1.26 -4.95 116.66 120.37 2ron n ARG 121 Ca 0.32 0.60 -0.19 0.00 -1.00 0.00 0.00 57.85 57.58 2ron n ARG 121 Cb 0.50 -2.34 -0.08 0.00 -1.05 0.00 0.00 32.46 29.49 2ron n ARG 121 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2ron s LYS 122 N 2.85 1.76 -0.12 2.89 1.02 -1.26 -5.10 119.74 121.78 2ron s LYS 122 Ca 0.91 -1.99 -0.28 0.00 0.02 0.00 0.00 55.97 54.63 2ron s LYS 122 Cb -0.87 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 2ron s LYS 122 CO 0.54 -0.66 0.95 0.21 -0.92 0.00 0.00 175.35 175.47 2ron s LYS 123 N -3.42 4.39 -0.17 1.68 2.20 -1.26 -4.97 119.74 118.18 2ron s LYS 123 Ca 0.40 1.27 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 2ron s LYS 123 Cb 0.02 -3.55 0.12 0.00 -1.51 0.00 0.00 37.83 32.92 2ron s LYS 123 CO 0.27 -0.30 0.98 0.54 -0.36 0.00 0.00 175.35 176.48 2ron s VAL 124 N 1.99 0.00 -0.17 4.02 0.11 -1.26 -5.05 120.40 120.05 2ron s VAL 124 Ca 0.45 0.00 0.15 0.00 -2.93 0.00 0.00 61.98 59.65 2ron s VAL 124 Cb -0.18 -1.00 0.35 0.00 -1.53 0.00 0.00 36.38 34.03 2ron s VAL 124 CO 0.16 0.00 1.18 -0.24 -3.33 0.00 0.00 175.10 172.88 2ron n SER 125 N 1.01 1.97 0.26 3.54 2.88 -1.26 -4.68 113.62 117.33 2ron n SER 125 Ca -0.11 -3.47 0.15 0.00 -1.33 0.00 0.00 58.87 54.10 2ron n SER 125 Cb 0.57 -0.48 0.58 0.00 -0.75 0.00 0.00 64.21 64.14 2ron n SER 125 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2ron h HIS 126 N 0.52 0.00 -2.77 0.66 2.07 -2.02 -3.44 115.15 110.17 2ron h HIS 126 Ca -0.00 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.39 2ron h HIS 126 Cb 1.02 0.00 -0.25 0.00 2.57 0.00 0.00 27.41 30.75 2ron h HIS 126 CO 0.39 0.07 -0.28 -1.17 -3.07 0.00 0.00 177.93 173.87 2ron s LEU 127 N -6.36 0.39 0.00 6.12 2.96 -1.26 -5.02 118.68 115.50 2ron s LEU 127 Ca 0.01 0.79 0.14 0.00 -0.22 0.00 0.00 54.13 54.86 2ron s LEU 127 Cb 0.09 1.31 0.67 0.00 0.50 0.00 0.00 46.19 48.76 2ron s LEU 127 CO 0.58 -0.15 1.44 -0.81 -1.32 0.00 0.00 176.35 176.09 2ron n PRO 128 N 3.21 0.09 -0.00 0.98 -0.04 -1.26 -2.10 135.00 135.88 2ron n PRO 128 Ca -0.16 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2ron n PRO 128 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.41 1.45 -0.20 3.54 8.00 -1.26 -4.69 116.55 121.98 2ron n ASP 129 Ca 0.05 -1.43 0.09 0.00 0.71 0.00 0.00 54.79 54.21 2ron n ASP 129 Cb 0.15 -0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.63 2ron n ASP 129 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2ron h ASP 130 N 0.08 0.62 0.81 -2.24 3.04 -1.79 0.86 116.42 117.79 2ron h ASP 130 Ca 0.00 0.02 -0.08 0.00 -3.24 0.00 0.00 57.03 53.73 2ron h ASP 130 Cb 0.22 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.39 2ron h ASP 130 CO 0.00 0.37 -0.36 0.06 -2.04 0.00 0.00 179.24 177.27 2ron h GLN 131 N 0.68 0.00 -0.04 4.15 3.07 -1.84 0.36 115.11 121.50 2ron h GLN 131 Ca 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.05 2ron h GLN 131 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 2ron h GLN 131 CO -0.13 0.36 -0.15 0.35 0.09 0.00 0.00 178.83 179.34 2ron h PHE 132 N 0.00 0.23 -0.07 0.06 3.57 -1.17 -2.13 116.94 117.42 2ron h PHE 132 Ca -0.00 -0.10 -0.24 0.00 3.53 0.00 0.00 57.97 61.16 2ron h PHE 132 Cb 0.86 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.58 2ron h PHE 132 CO 0.00 0.79 -0.90 1.37 -2.23 0.00 0.00 178.31 177.34 2ron h LEU 133 N -0.40 0.86 -1.24 0.59 8.10 -1.37 0.11 115.31 121.96 2ron h LEU 133 Ca -0.01 -0.63 -0.04 0.00 0.11 0.00 0.00 57.88 57.32 2ron h LEU 133 Cb 0.80 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 2ron h LEU 133 CO 0.03 1.42 0.09 0.44 -4.11 0.00 0.00 178.44 176.31 2ron h ASP 134 N 0.44 0.56 0.08 0.17 3.32 -1.02 0.24 116.42 120.21 2ron h ASP 134 Ca -0.08 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.67 2ron h ASP 134 Cb 1.53 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.93 2ron h ASP 134 CO 0.18 0.57 -1.08 -0.74 -1.72 0.00 0.00 179.24 176.45 2ron h HIS 135 N 0.60 0.32 -0.18 4.55 2.76 -1.38 -3.35 115.15 118.46 2ron h HIS 135 Ca 0.14 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.04 2ron h HIS 135 Cb 0.24 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 2ron h HIS 135 CO 0.01 1.42 -0.06 0.82 -1.30 0.00 0.00 177.93 178.82 2ron h ILE 136 N -0.54 1.16 -6.95 6.26 2.04 -0.72 -3.46 117.51 115.31 2ron h ILE 136 Ca -0.24 -0.65 -0.59 0.00 1.00 0.00 0.00 64.86 64.38 2ron h ILE 136 Cb 1.55 1.09 -0.30 0.00 -0.74 0.00 0.00 36.82 38.42 2ron h ILE 136 CO 0.02 0.21 -0.87 2.30 0.00 0.00 0.00 178.15 179.80 2ron n ILE 137 N -4.32 -0.38 0.06 -0.67 -5.35 0.82 -4.71 119.36 104.81 2ron n ILE 137 Ca -0.00 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2ron n ILE 137 Cb 0.23 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 2ron n ILE 137 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2ron n GLN 138 N -4.04 0.00 -3.78 6.28 7.27 -1.26 -4.40 117.38 117.44 2ron n GLN 138 Ca -0.06 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.77 2ron n GLN 138 Cb 0.52 -0.42 0.02 0.00 2.41 0.00 0.00 30.24 32.76 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ron n LEU 139 N -3.43 -2.81 -0.06 1.69 7.99 -1.26 -0.34 117.00 118.78 2ron n LEU 139 Ca 0.00 -0.91 -0.01 0.00 -0.01 0.00 0.00 56.01 55.08 2ron n LEU 139 Cb 0.05 -2.48 -0.00 0.00 -0.11 0.00 0.00 43.42 40.88 2ron n LEU 139 CO 0.00 0.42 -0.01 0.61 -1.51 0.00 0.00 177.39 176.90 2ron n GLY 140 N -1.73 0.41 0.00 -0.72 0.00 -1.26 -4.89 105.19 97.00 2ron n GLY 140 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.78 -0.22 3.54 -0.02 0.00 0.54 -5.12 105.19 102.13 2ron n GLY 141 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2ron n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ron s MET 142 N 0.00 0.79 0.93 1.61 -1.94 -1.25 -5.07 119.30 114.37 2ron s MET 142 Ca 0.00 -0.31 -0.12 0.00 -1.71 0.00 0.00 55.69 53.55 2ron s MET 142 Cb 0.00 0.35 0.15 0.00 2.01 0.00 0.00 34.83 37.34 2ron s MET 142 CO 0.00 -0.35 1.09 -1.25 -0.01 0.00 0.00 175.02 174.51 2ron s PRO 143 N -3.04 0.96 -0.27 2.03 0.04 -1.26 -4.22 135.00 129.23 2ron s PRO 143 Ca 0.06 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.56 2ron s PRO 143 Cb -0.01 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.88 2ron s PRO 143 CO -0.07 -2.42 1.10 0.00 0.04 0.00 0.00 177.00 175.65 2ron s ALA 144 N -2.94 -2.01 0.00 8.56 0.00 -1.26 -5.04 121.76 119.07 2ron s ALA 144 Ca 0.64 1.81 0.00 0.00 0.00 0.00 0.00 51.96 54.41 2ron s ALA 144 Cb -0.18 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2ron s ALA 144 CO 0.57 -0.22 0.00 0.39 0.00 0.00 0.00 175.76 176.50 2ron n GLU 145 N 1.90 0.00 0.00 0.00 1.02 -1.26 -4.88 120.64 117.42 2ron n GLU 145 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2ron n GLU 145 Cb 0.56 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2ron n LEU 146 N -2.44 1.83 0.01 -4.62 -0.00 -1.26 -4.63 117.00 105.89 2ron n LEU 146 Ca 0.00 -1.83 0.03 0.00 -0.00 0.00 0.00 56.01 54.21 2ron n LEU 146 Cb 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.47 2ron n LEU 146 CO 0.00 0.46 -0.54 1.33 -0.00 0.00 0.00 177.39 178.64 2ron n VAL 147 N -0.45 0.83 0.19 1.47 0.24 -1.26 -4.12 118.33 115.23 2ron n VAL 147 Ca 0.00 -0.65 0.17 0.00 -2.04 0.00 0.00 64.34 61.81 2ron n VAL 147 Cb 0.27 -0.43 0.80 0.00 -1.47 0.00 0.00 33.84 33.00 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 0.00 0.69 7.34 4.11 -1.91 -2.39 114.58 122.41 2ron h GLU 148 Ca -0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.22 2ron h GLU 148 Cb 1.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.73 2ron h GLU 148 CO 0.02 0.00 -0.33 -0.97 0.07 0.00 0.00 179.01 177.80 2ron h ASN 149 N 0.00 -0.78 0.29 3.06 -1.24 -1.91 0.26 115.58 115.27 2ron h ASN 149 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2ron h ASN 149 Cb 0.49 0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.74 2ron h ASN 149 CO -0.00 -0.47 0.00 0.07 -1.29 0.00 0.00 177.43 175.74 2ron h LYS 150 N -1.06 0.00 0.06 6.67 2.10 -1.69 -2.49 116.57 120.16 2ron h LYS 150 Ca -0.09 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.31 2ron h LYS 150 Cb 0.74 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.05 2ron h LYS 150 CO 0.15 0.00 -1.29 0.93 -2.00 0.00 0.00 179.45 177.25 2ron h GLU 151 N 0.00 0.13 0.00 0.07 4.39 -1.02 -1.96 114.58 116.20 2ron h GLU 151 Ca 0.00 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 2ron h GLU 151 Cb 0.15 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2ron h GLU 151 CO 0.00 1.11 -0.02 -0.39 -1.16 0.00 0.00 179.01 178.55 2ron h VAL 152 N -0.58 0.10 0.01 3.13 -1.51 -0.12 0.51 116.25 117.80 2ron h VAL 152 Ca -0.30 -0.24 -0.37 0.00 -1.23 0.00 0.00 66.70 64.55 2ron h VAL 152 Cb 1.55 1.22 -0.06 0.00 -2.13 0.00 0.00 31.29 31.87 2ron h VAL 152 CO -0.04 0.02 -2.30 1.15 -1.23 0.00 0.00 177.57 175.17 2ron n MET 153 N -3.19 0.68 0.00 5.19 0.00 -0.97 -4.07 117.12 114.75 2ron n MET 153 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 57.70 57.80 2ron n MET 153 Cb 0.17 -1.57 0.00 0.00 0.00 0.00 0.00 33.22 31.82 2ron n MET 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2ron n SER 154 N -3.07 0.00 -0.07 3.17 7.64 -0.73 -4.48 113.62 116.08 2ron n SER 154 Ca -0.36 0.06 0.25 0.00 1.01 0.00 0.00 58.87 59.83 2ron n SER 154 Cb 1.07 -0.48 0.71 0.00 -1.01 0.00 0.00 64.21 64.50 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 155 N 0.00 0.00 -4.53 1.43 -1.00 -0.26 -3.43 116.94 109.15 2ron h PHE 155 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ron h PHE 155 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2ron h PHE 155 CO 0.00 0.00 -0.04 0.34 -1.61 0.00 0.00 178.31 177.00 2ron n PHE 156 N -3.87 -1.99 -0.99 -0.55 -0.00 0.53 -4.27 117.46 106.33 2ron n PHE 156 Ca 0.14 0.76 -0.34 0.00 -0.00 0.00 0.00 57.45 58.02 2ron n PHE 156 Cb 0.89 -3.20 0.10 0.00 -0.00 0.00 0.00 39.48 37.27 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 -1.35 0.25 0.19 -2.13 -0.00 -1.25 -4.55 117.00 108.17 2ron n LEU 157 Ca 0.01 0.44 0.05 0.00 -0.00 0.00 0.00 56.01 56.50 2ron n LEU 157 Cb 0.47 -1.21 0.37 0.00 -0.00 0.00 0.00 43.42 43.05 2ron n LEU 157 CO 0.34 -3.41 0.71 1.55 -0.00 0.00 0.00 177.39 176.58 2ron h PRO 158 N -1.07 0.00 -5.69 1.47 0.13 -1.86 -3.43 132.00 121.55 2ron h PRO 158 Ca -0.44 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.18 2ron h PRO 158 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ron h PRO 158 CO 0.38 0.37 1.60 0.45 -0.23 0.00 0.00 178.00 180.56 2ron n SER 159 N -3.76 2.43 0.17 1.44 2.88 -1.26 -4.85 113.62 110.67 2ron n SER 159 Ca -0.01 -0.23 -0.07 0.00 -1.33 0.00 0.00 58.87 57.23 2ron n SER 159 Cb 0.45 -1.52 -0.03 0.00 -0.75 0.00 0.00 64.21 62.36 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2ron h PHE 160 N 17.57 -0.44 -1.24 0.66 0.04 -1.94 -2.93 116.94 128.65 2ron h PHE 160 Ca -0.27 -0.01 0.36 0.00 2.80 0.00 0.00 57.97 60.84 2ron h PHE 160 Cb 1.27 0.15 -0.07 0.00 2.20 0.00 0.00 35.95 39.49 2ron h PHE 160 CO 0.96 -0.27 0.86 0.07 -0.60 0.00 0.00 178.31 179.33 2ron h ARG 161 N -0.78 0.11 0.46 1.51 0.11 -1.96 0.53 114.38 114.37 2ron h ARG 161 Ca -0.05 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2ron h ARG 161 Cb 0.36 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2ron h ARG 161 CO 0.08 0.07 -0.22 1.03 0.10 0.00 0.00 179.97 181.03 2ron h SER 162 N 0.11 -0.53 0.17 0.08 0.87 -1.94 -1.80 113.55 110.51 2ron h SER 162 Ca 0.64 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.21 2ron h SER 162 Cb 2.25 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 64.35 2ron h SER 162 CO -0.14 -0.34 -0.08 -0.78 -0.53 0.00 0.00 176.83 174.96 2ron h ASP 163 N -0.70 -0.19 -0.93 6.23 3.58 -1.11 0.31 116.42 123.61 2ron h ASP 163 Ca -0.06 -0.24 0.27 0.00 0.42 0.00 0.00 57.03 57.42 2ron h ASP 163 Cb 0.48 0.05 -0.15 0.00 1.72 0.00 0.00 39.33 41.43 2ron h ASP 163 CO 0.10 0.14 0.36 1.88 -2.88 0.00 0.00 179.24 178.85 2ron h TYR 164 N -0.54 0.57 0.06 0.28 -1.99 -0.09 0.57 116.97 115.82 2ron h TYR 164 Ca -0.02 0.05 -0.27 0.00 2.00 0.00 0.00 58.73 60.48 2ron h TYR 164 Cb 0.41 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 2ron h TYR 164 CO 0.03 -0.20 -1.36 -0.09 -0.00 0.00 0.00 178.16 176.54 2ron h ARG 165 N 0.25 0.13 0.00 4.88 2.43 -1.24 0.31 114.38 121.13 2ron h ARG 165 Ca 0.63 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2ron h ARG 165 Cb 1.33 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 2ron h ARG 165 CO -0.64 0.98 0.00 0.00 -1.51 0.00 0.00 179.97 178.80 2ron n ALA 166 N -2.53 2.15 0.00 2.80 0.00 0.11 0.11 120.51 123.15 2ron n ALA 166 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2ron n ALA 166 Cb 1.01 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 19.10 2ron n ALA 166 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ron n LEU 167 N -1.27 1.93 -0.06 0.00 7.99 0.16 -4.82 117.00 120.94 2ron n LEU 167 Ca 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 56.05 2ron n LEU 167 Cb 0.17 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.33 2ron n LEU 167 CO 0.17 0.30 -0.88 -0.62 -1.51 0.00 0.00 177.39 174.85 2ron n GLU 168 N -2.44 0.67 -2.68 3.23 -0.58 0.11 -4.97 120.64 113.97 2ron n GLU 168 Ca 0.00 0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.63 2ron n GLU 168 Cb 0.41 -1.60 -0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2ron n GLN 169 N -2.75 -2.64 -0.00 3.49 6.02 0.12 -4.78 117.38 116.84 2ron n GLN 169 Ca -0.23 0.58 0.02 0.00 -0.01 0.00 0.00 57.00 57.36 2ron n GLN 169 Cb 1.01 -5.21 -0.03 0.00 1.02 0.00 0.00 30.24 27.03 2ron n GLN 169 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ron n PHE 170 N -3.56 0.00 -1.46 1.08 3.72 -1.26 -5.04 117.46 110.95 2ron n PHE 170 Ca -0.11 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.91 2ron n PHE 170 Cb 0.59 -0.08 0.05 0.00 -0.94 0.00 0.00 39.48 39.11 2ron n PHE 170 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ron n GLU 171 N -1.51 0.56 -4.50 -1.08 -0.58 -1.26 -5.02 120.64 107.25 2ron n GLU 171 Ca -0.00 0.23 -0.25 0.00 -0.42 0.00 0.00 57.16 56.72 2ron n GLU 171 Cb 0.10 -1.90 -0.09 0.00 -0.57 0.00 0.00 31.44 28.99 2ron n GLU 171 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ron s LEU 172 N -0.52 2.01 0.61 -4.62 1.43 -1.26 -5.02 118.68 111.31 2ron s LEU 172 Ca 0.71 -1.62 0.36 0.00 -1.03 0.00 0.00 54.13 52.55 2ron s LEU 172 Cb -0.41 -0.14 2.02 0.00 0.03 0.00 0.00 46.19 47.69 2ron s LEU 172 CO 0.53 -0.88 2.27 1.88 0.23 0.00 0.00 176.35 180.37 2ron h TYR 173 N 1.85 0.00 -3.29 0.29 0.05 -2.05 -3.38 116.97 110.45 2ron h TYR 173 Ca -0.36 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 57.75 2ron h TYR 173 Cb 1.27 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.68 2ron h TYR 173 CO 1.33 0.02 -0.81 0.16 -1.05 0.00 0.00 178.16 177.81 2ron s ASP 174 N -5.69 3.71 0.00 3.88 -4.77 -1.26 -4.94 116.67 107.61 2ron s ASP 174 Ca -0.04 -0.71 0.00 0.00 -3.30 0.00 0.00 52.55 48.49 2ron s ASP 174 Cb 0.14 -1.57 0.00 0.00 -1.09 0.00 0.00 42.92 40.39 2ron s ASP 174 CO 0.49 -0.05 0.67 0.00 0.70 0.00 0.00 175.17 176.98 2ron n LEU 175 N 4.65 0.86 -4.79 2.11 -0.00 -1.26 -5.08 117.00 113.49 2ron n LEU 175 Ca -0.19 -0.86 -0.30 0.00 -0.00 0.00 0.00 56.01 54.66 2ron n LEU 175 Cb 0.49 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 44.01 2ron n LEU 175 CO 0.26 0.22 0.70 0.00 -0.00 0.00 0.00 177.39 178.57 2ron s ALA 176 N -0.40 2.10 -0.72 1.47 0.00 -1.26 -4.39 121.76 118.56 2ron s ALA 176 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2ron s ALA 176 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2ron s ALA 176 CO 0.00 -1.86 0.63 1.04 0.00 0.00 0.00 175.76 175.57 2ron n GLN 177 N -3.53 -1.63 -3.74 0.00 1.13 -1.19 -4.99 117.38 103.43 2ron n GLN 177 Ca 0.07 0.59 -0.19 0.00 -1.94 0.00 0.00 57.00 55.54 2ron n GLN 177 Cb 0.56 -4.47 -0.17 0.00 0.11 0.00 0.00 30.24 26.27 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2ron s ILE 178 N -3.27 0.01 -0.29 5.09 1.01 -1.26 -5.07 121.20 117.42 2ron s ILE 178 Ca 0.30 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 2ron s ILE 178 Cb -0.04 -0.20 0.14 0.00 0.01 0.00 0.00 42.46 42.37 2ron s ILE 178 CO 0.50 0.16 0.93 0.00 0.00 0.00 0.00 174.94 176.54 2ron s GLN 179 N 1.73 0.42 0.01 2.79 -2.07 -1.26 -2.67 119.66 118.61 2ron s GLN 179 Ca -0.00 0.74 0.00 0.00 -1.82 0.00 0.00 55.36 54.28 2ron s GLN 179 Cb -0.12 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 31.90 2ron s GLN 179 CO -0.03 -0.09 0.00 0.43 -1.32 0.00 0.00 175.29 174.28 2ron n SER 180 N 3.86 -0.11 -3.02 12.60 7.64 -1.26 -4.75 113.62 128.57 2ron n SER 180 Ca -0.18 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2ron n SER 180 Cb 0.57 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.30 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ron n PRO 181 N -2.80 0.01 -4.55 1.43 -0.04 -1.26 -3.95 135.00 123.83 2ron n PRO 181 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2ron n PRO 181 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.49 1.76 0.03 0.52 1.01 -1.10 -1.99 120.40 120.13 2ron s VAL 182 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2ron s VAL 182 Cb 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2ron s VAL 182 CO 0.00 0.49 -0.07 -1.00 0.00 0.00 0.00 175.10 174.52 2ron s HIS 183 N 0.91 0.61 -0.01 5.22 3.76 -0.90 -2.00 115.29 122.88 2ron s HIS 183 Ca -0.07 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 2ron s HIS 183 Cb -0.15 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.18 2ron s HIS 183 CO -0.02 -0.06 0.01 0.08 -0.85 0.00 0.00 174.74 173.89 2ron s VAL 184 N -1.03 0.05 -0.09 -0.90 1.01 -1.15 -3.61 120.40 114.67 2ron s VAL 184 Ca -0.07 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2ron s VAL 184 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 2ron s VAL 184 CO 0.00 0.07 -0.15 -0.36 0.00 0.00 0.00 175.10 174.66 2ron s PHE 185 N 0.54 2.73 0.20 5.22 0.40 -0.83 -2.76 117.98 123.48 2ron s PHE 185 Ca -0.05 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 2ron s PHE 185 Cb -0.07 -1.73 -0.00 0.00 0.51 0.00 0.00 43.02 41.73 2ron s PHE 185 CO -0.01 -0.05 0.37 0.54 0.70 0.00 0.00 175.22 176.77 2ron s ASN 186 N -0.15 -0.04 0.63 1.36 4.22 -1.20 -0.89 114.94 118.86 2ron s ASN 186 Ca -0.01 -0.85 0.00 0.00 -2.14 0.00 0.00 52.86 49.86 2ron s ASN 186 Cb -0.14 0.50 0.00 0.00 1.28 0.00 0.00 41.25 42.90 2ron s ASN 186 CO 0.03 -0.99 0.00 0.61 -2.04 0.00 0.00 177.10 174.71 2ron n GLY 187 N -0.29 0.98 4.49 0.45 0.00 -0.38 -4.33 105.19 106.12 2ron n GLY 187 Ca -0.06 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.12 -3.29 117.00 112.45 2ron n LEU 188 Ca 0.00 -1.24 0.05 0.00 -0.00 0.00 0.00 56.01 54.82 2ron n LEU 188 Cb 0.00 -1.58 0.25 0.00 -0.00 0.00 0.00 43.42 42.10 2ron n LEU 188 CO 0.00 0.13 1.24 -2.24 -0.00 0.00 0.00 177.39 176.52 2ron h ASP 189 N -0.93 0.88 0.00 1.45 2.03 -1.91 -3.16 116.42 114.78 2ron h ASP 189 Ca -0.60 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.71 2ron h ASP 189 Cb 1.37 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2ron h ASP 189 CO 0.87 0.55 0.00 0.47 -1.03 0.00 0.00 179.24 180.11 2ron n ASP 190 N -4.50 0.00 -4.28 4.15 8.00 -1.26 -0.16 116.55 118.50 2ron n ASP 190 Ca 0.14 0.86 -0.27 0.00 0.71 0.00 0.00 54.79 56.23 2ron n ASP 190 Cb 0.22 -0.36 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2ron s LYS 191 N -2.45 1.54 0.00 -1.24 2.20 -1.19 -3.21 119.74 115.39 2ron s LYS 191 Ca 0.00 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.63 2ron s LYS 191 Cb 0.00 -1.66 0.00 0.00 -1.51 0.00 0.00 37.83 34.66 2ron s LYS 191 CO 0.00 0.43 0.00 0.36 -0.36 0.00 0.00 175.35 175.78 2ron n LYS 192 N 1.88 3.17 -0.18 4.03 2.85 -1.26 -4.68 118.16 123.96 2ron n LYS 192 Ca -0.17 0.00 0.21 0.00 -1.05 0.00 0.00 58.31 57.31 2ron n LYS 192 Cb 0.53 -0.97 0.60 0.00 -0.65 0.00 0.00 35.03 34.53 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 0.24 1.34 0.27 0.00 -0.00 -1.99 -0.85 117.51 116.52 2ron h ILE 194 Ca 0.41 -1.77 -0.01 0.00 -0.00 0.00 0.00 64.86 63.49 2ron h ILE 194 Cb 1.26 1.81 0.00 0.00 -0.00 0.00 0.00 36.82 39.90 2ron h ILE 194 CO -0.10 0.53 -0.13 -0.09 -0.00 0.00 0.00 178.15 178.37 2ron h ARG 195 N 0.27 -0.34 -0.31 2.19 1.12 -0.82 -1.83 114.38 114.64 2ron h ARG 195 Ca 0.01 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 2ron h ARG 195 Cb 1.00 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 31.02 2ron h ARG 195 CO 0.09 0.01 -0.02 0.22 -3.11 0.00 0.00 179.97 177.16 2ron h ASP 196 N -0.80 0.46 0.48 -3.80 3.58 -1.44 0.64 116.42 115.52 2ron h ASP 196 Ca -0.04 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 2ron h ASP 196 Cb 0.51 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2ron h ASP 196 CO 0.06 0.54 -0.23 0.00 -2.88 0.00 0.00 179.24 176.73 2ron h ALA 197 N 1.52 -0.97 0.00 -0.78 0.00 -1.15 0.27 119.26 118.14 2ron h ALA 197 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ron h ALA 197 Cb 0.33 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ron h ALA 197 CO 0.01 -0.92 0.00 0.39 0.00 0.00 0.00 179.25 178.73 2ron n GLU 198 N -4.06 0.21 -0.04 0.00 -0.58 -0.69 -1.69 120.64 113.79 2ron n GLU 198 Ca -0.08 0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2ron n GLU 198 Cb 0.25 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.48 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ron n GLY 199 N 0.75 -0.85 0.03 0.62 0.00 0.22 -4.26 105.19 101.70 2ron n GLY 199 Ca 0.09 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2ron n GLY 199 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2ron n TRP 200 N -3.08 0.21 -0.15 1.61 -0.00 0.93 -4.19 117.44 112.77 2ron n TRP 200 Ca -0.26 0.06 0.13 0.00 -0.00 0.00 0.00 57.50 57.43 2ron n TRP 200 Cb 1.07 -0.39 0.47 0.00 -0.00 0.00 0.00 31.31 32.45 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 0.00 0.48 -0.00 5.87 5.09 -1.50 0.22 116.57 126.73 2ron h LYS 201 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 2ron h LYS 201 Cb 0.72 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.94 2ron h LYS 201 CO 0.00 0.32 -0.44 0.36 -2.09 0.00 0.00 179.45 177.60 2ron n LYS 202 N -4.49 0.09 -2.24 0.07 2.85 -1.26 -4.93 118.16 108.26 2ron n LYS 202 Ca 0.13 -0.05 -0.11 0.00 -1.05 0.00 0.00 58.31 57.23 2ron n LYS 202 Cb 0.43 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.29 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 -1.41 -1.30 -4.28 5.58 7.02 0.78 -3.19 117.44 120.64 2ron n TRP 203 Ca 0.06 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.20 2ron n TRP 203 Cb 0.34 -2.49 -0.11 0.00 -2.42 0.00 0.00 31.31 26.63 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 -2.42 3.21 -0.13 6.99 0.00 -1.26 -4.51 121.76 123.63 2ron s ALA 204 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 2ron s ALA 204 Cb 0.00 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.53 2ron s ALA 204 CO 0.00 0.32 0.08 0.15 0.00 0.00 0.00 175.76 176.31 2ron s LYS 205 N -0.03 0.02 0.99 0.00 1.02 -1.09 -4.94 119.74 115.72 2ron s LYS 205 Ca 0.03 0.07 -0.15 0.00 0.02 0.00 0.00 55.97 55.94 2ron s LYS 205 Cb -0.13 -1.40 0.03 0.00 -0.52 0.00 0.00 37.83 35.82 2ron s LYS 205 CO 0.02 -0.56 0.18 -0.25 -0.92 0.00 0.00 175.35 173.82 2ron n ASP 206 N 5.28 -2.49 -0.24 2.83 9.92 -1.26 -4.52 116.55 126.07 2ron n ASP 206 Ca -0.06 0.21 0.32 0.00 -0.53 0.00 0.00 54.79 54.73 2ron n ASP 206 Cb 0.49 -1.10 0.74 0.00 -0.64 0.00 0.00 41.12 40.61 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2ron h ILE 207 N -1.62 0.48 -2.86 0.53 -0.00 -1.52 -3.27 117.51 109.24 2ron h ILE 207 Ca -0.46 0.00 -0.58 0.00 -0.00 0.00 0.00 64.86 63.83 2ron h ILE 207 Cb 1.30 0.48 -0.40 0.00 -0.00 0.00 0.00 36.82 38.21 2ron h ILE 207 CO 0.34 0.00 -0.79 -0.89 -0.00 0.00 0.00 178.15 176.81 2ron s THR 208 N -4.96 0.57 -0.06 2.19 2.01 -1.23 -5.04 115.64 109.11 2ron s THR 208 Ca -0.05 -1.61 0.03 0.00 0.31 0.00 0.00 61.69 60.37 2ron s THR 208 Cb 0.22 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 2ron s THR 208 CO 0.79 -0.83 -0.15 0.72 -0.69 0.00 0.00 174.62 174.45 2ron s PHE 209 N 1.27 2.69 -0.27 4.92 -0.71 -1.24 -2.13 117.98 122.52 2ron s PHE 209 Ca 0.14 -0.29 -0.00 0.00 -1.04 0.00 0.00 56.93 55.73 2ron s PHE 209 Cb -0.20 -1.66 0.14 0.00 -1.21 0.00 0.00 43.02 40.08 2ron s PHE 209 CO -0.14 0.08 0.36 -1.58 -1.34 0.00 0.00 175.22 172.60 2ron s HIS 210 N -0.48 -0.77 0.44 3.49 2.46 -1.24 -5.04 115.29 114.15 2ron s HIS 210 Ca 0.06 0.30 -0.07 0.00 0.47 0.00 0.00 55.06 55.82 2ron s HIS 210 Cb -0.12 -0.21 -0.05 0.00 -0.13 0.00 0.00 32.58 32.07 2ron s HIS 210 CO 0.02 -0.88 0.76 1.14 -2.47 0.00 0.00 174.74 173.30 2ron s GLN 211 N 2.48 3.63 -0.29 2.88 -2.07 -1.25 -1.96 119.66 123.07 2ron s GLN 211 Ca 0.10 0.26 0.03 0.00 -1.82 0.00 0.00 55.36 53.93 2ron s GLN 211 Cb -0.14 -2.41 0.20 0.00 -1.09 0.00 0.00 33.01 29.57 2ron s GLN 211 CO -0.27 -0.11 0.62 0.12 -1.32 0.00 0.00 175.29 174.34 2ron s PHE 212 N -2.56 -1.71 0.11 9.60 5.36 -0.07 -4.93 117.98 123.79 2ron s PHE 212 Ca 0.48 1.20 0.08 0.00 -0.96 0.00 0.00 56.93 57.72 2ron s PHE 212 Cb -0.10 0.37 -0.04 0.00 -0.34 0.00 0.00 43.02 42.91 2ron s PHE 212 CO 0.39 -0.98 -0.12 0.16 -1.46 0.00 0.00 175.22 173.21 2ron s ASP 213 N 2.85 4.27 0.00 6.13 1.47 -1.26 -1.25 116.67 128.88 2ron s ASP 213 Ca 0.13 -0.43 0.00 0.00 1.18 0.00 0.00 52.55 53.43 2ron s ASP 213 Cb -0.11 -0.77 0.00 0.00 -0.34 0.00 0.00 42.92 41.71 2ron s ASP 213 CO -0.24 0.18 0.00 0.61 0.68 0.00 0.00 175.17 176.39 2ron n GLY 214 N 0.71 -0.09 0.00 2.12 0.00 -1.21 -4.66 105.19 102.07 2ron n GLY 214 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 2.02 0.77 0.45 -0.02 0.00 0.43 -4.82 105.19 104.01 2ron n GLY 215 Ca 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.45 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 0.28 -0.80 1.61 8.25 0.77 -4.01 115.22 121.32 2ron n HIS 216 Ca 0.00 -1.15 -0.30 0.00 -0.26 0.00 0.00 57.72 56.01 2ron n HIS 216 Cb 0.00 -0.24 0.17 0.00 1.12 0.00 0.00 29.99 31.05 2ron n HIS 216 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2ron s MET 217 N -2.99 0.71 0.53 -0.41 0.00 -1.20 -4.54 119.30 111.41 2ron s MET 217 Ca 0.36 1.23 0.29 0.00 0.00 0.00 0.00 55.69 57.57 2ron s MET 217 Cb 0.32 -1.72 1.43 0.00 0.00 0.00 0.00 34.83 34.87 2ron s MET 217 CO 0.02 -2.73 1.91 0.74 0.00 0.00 0.00 175.02 174.95 2ron h PHE 218 N -1.93 0.05 0.00 4.11 0.04 -1.90 0.17 116.94 117.48 2ron h PHE 218 Ca -0.49 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 59.87 2ron h PHE 218 Cb 1.28 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.35 2ron h PHE 218 CO 0.44 0.01 -2.40 1.28 -0.60 0.00 0.00 178.31 177.04 2ron n LEU 219 N -4.31 2.02 -0.07 1.54 7.99 -1.26 -3.95 117.00 118.96 2ron n LEU 219 Ca 0.17 0.22 0.24 0.00 -0.01 0.00 0.00 56.01 56.63 2ron n LEU 219 Cb 0.88 -0.76 0.71 0.00 -0.11 0.00 0.00 43.42 44.14 2ron n LEU 219 CO 0.38 0.60 1.22 -0.07 -1.51 0.00 0.00 177.39 178.01 2ron h LEU 220 N -0.72 0.00 0.18 2.23 3.38 -1.82 0.92 115.31 119.48 2ron h LEU 220 Ca -0.62 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.04 2ron h LEU 220 Cb 1.61 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.39 2ron h LEU 220 CO -0.33 0.00 -1.36 -1.28 0.09 0.00 0.00 178.44 175.56 2ron h SER 221 N 0.00 0.71 0.07 -0.43 0.87 -0.80 -3.35 113.55 110.62 2ron h SER 221 Ca 0.32 -0.74 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2ron h SER 221 Cb 1.32 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ron h SER 221 CO -0.00 1.57 -0.03 -0.61 -0.53 0.00 0.00 176.83 177.23 2ron h GLN 222 N 0.15 -0.09 -5.56 2.24 4.15 -1.03 -3.38 115.11 111.59 2ron h GLN 222 Ca -0.20 0.01 -0.64 0.00 0.77 0.00 0.00 58.65 58.59 2ron h GLN 222 Cb 2.06 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 29.63 2ron h GLN 222 CO 0.25 0.22 1.00 0.99 -1.93 0.00 0.00 178.83 179.36 2ron s THR 223 N -4.92 4.31 0.65 2.39 2.01 -0.15 -4.84 115.64 115.09 2ron s THR 223 Ca -0.15 -0.90 0.41 0.00 0.31 0.00 0.00 61.69 61.37 2ron s THR 223 Cb 0.03 -4.86 0.43 0.00 0.01 0.00 0.00 72.50 68.11 2ron s THR 223 CO 0.64 -1.66 2.35 1.05 -0.69 0.00 0.00 174.62 176.31 2ron h GLU 224 N 9.39 0.00 0.14 4.92 4.11 -1.78 -2.48 114.58 128.88 2ron h GLU 224 Ca 0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2ron h GLU 224 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2ron h GLU 224 CO 1.24 0.00 -0.07 0.93 0.07 0.00 0.00 179.01 181.18 2ron h GLU 225 N 0.00 -0.19 -0.65 1.06 5.08 -1.91 -1.70 114.58 116.28 2ron h GLU 225 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2ron h GLU 225 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2ron h GLU 225 CO 0.00 -0.06 0.36 0.28 -1.00 0.00 0.00 179.01 178.59 2ron h VAL 226 N -0.26 1.20 0.25 3.13 2.07 -1.77 -0.76 116.25 120.11 2ron h VAL 226 Ca -0.02 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2ron h VAL 226 Cb 0.21 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2ron h VAL 226 CO 0.03 0.22 -0.19 0.00 0.02 0.00 0.00 177.57 177.65 2ron h ALA 227 N 1.18 -0.97 -0.68 1.67 0.00 -1.46 -1.03 119.26 117.97 2ron h ALA 227 Ca 0.23 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.21 2ron h ALA 227 Cb 0.03 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2ron h ALA 227 CO -0.04 -0.97 0.46 0.93 0.00 0.00 0.00 179.25 179.64 2ron h GLU 228 N -0.43 0.24 0.30 0.00 5.08 -1.33 -1.72 114.58 116.73 2ron h GLU 228 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2ron h GLU 228 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2ron h GLU 228 CO 0.00 0.16 -0.14 0.00 -1.00 0.00 0.00 179.01 178.03 2ron h ARG 229 N 0.25 -0.39 0.61 2.33 2.47 -0.71 0.90 114.38 119.84 2ron h ARG 229 Ca 0.33 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 59.05 2ron h ARG 229 Cb 0.94 0.09 0.01 0.00 -1.65 0.00 0.00 29.97 29.36 2ron h ARG 229 CO -0.07 -0.23 -0.29 0.82 0.56 0.00 0.00 179.97 180.76 2ron h ILE 230 N -0.44 0.40 -0.74 2.04 1.08 -0.34 -2.67 117.51 116.84 2ron h ILE 230 Ca -0.04 -0.04 0.13 0.00 -0.39 0.00 0.00 64.86 64.52 2ron h ILE 230 Cb 0.33 0.41 -0.09 0.00 -3.07 0.00 0.00 36.82 34.41 2ron h ILE 230 CO 0.07 0.01 0.32 0.15 -0.69 0.00 0.00 178.15 178.00 2ron h PHE 231 N -0.84 0.55 0.00 1.37 3.04 -1.39 -0.29 116.94 119.38 2ron h PHE 231 Ca -0.08 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.90 2ron h PHE 231 Cb 0.64 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.01 2ron h PHE 231 CO -0.03 0.12 0.00 0.00 -2.02 0.00 0.00 178.31 176.38 2ron n ALA 232 N -2.48 -0.26 -0.31 2.41 0.00 0.31 -1.58 120.51 118.60 2ron n ALA 232 Ca 0.13 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.75 2ron n ALA 232 Cb 0.37 0.19 0.43 0.00 0.00 0.00 0.00 19.45 20.44 2ron n ALA 232 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2ron h ILE 233 N 0.00 0.64 -0.47 0.00 6.09 -1.34 0.28 117.51 122.71 2ron h ILE 233 Ca 0.00 -0.19 0.09 0.00 -1.37 0.00 0.00 64.86 63.39 2ron h ILE 233 Cb 0.00 0.04 -0.07 0.00 0.47 0.00 0.00 36.82 37.25 2ron h ILE 233 CO 0.00 0.10 0.04 0.25 -3.07 0.00 0.00 178.15 175.48 2ron h LEU 234 N 0.56 -0.11 0.00 2.19 7.12 -0.53 0.40 115.31 124.94 2ron h LEU 234 Ca 0.56 0.10 -0.06 0.00 0.13 0.00 0.00 57.88 58.61 2ron h LEU 234 Cb 1.16 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.44 2ron h LEU 234 CO -0.31 -0.02 -0.56 -1.13 -0.13 0.00 0.00 178.44 176.29 2ron h ASN 235 N 0.16 0.00 -0.08 1.25 -1.24 -0.06 -3.20 115.58 112.41 2ron h ASN 235 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2ron h ASN 235 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2ron h ASN 235 CO -0.36 0.24 0.00 0.00 -1.29 0.00 0.00 177.43 176.02 2ron n GLN 236 N -3.03 1.52 -0.22 6.67 6.02 0.81 -4.34 117.38 124.82 2ron n GLN 236 Ca 0.01 -0.77 -0.11 0.00 -0.01 0.00 0.00 57.00 56.12 2ron n GLN 236 Cb 0.64 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 30.42 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2ron h HIS 237 N 1.67 -1.54 -0.09 1.08 2.76 -0.25 -2.50 115.15 116.29 2ron h HIS 237 Ca 0.00 0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2ron h HIS 237 Cb 0.36 0.75 -0.00 0.00 1.55 0.00 0.00 27.41 30.07 2ron h HIS 237 CO 0.05 -0.44 -0.09 -1.00 -1.30 0.00 0.00 177.93 175.15 2ron h PRO 238 N -0.26 0.22 -6.19 5.26 0.13 -1.87 -3.42 132.00 125.87 2ron h PRO 238 Ca 0.14 -0.12 -0.58 0.00 -0.87 0.00 0.00 66.00 64.57 2ron h PRO 238 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2ron h PRO 238 CO -0.70 0.64 1.32 0.42 -0.23 0.00 0.00 178.00 179.45 2ron s ILE 239 N -4.29 3.35 0.00 -3.56 1.01 -0.94 -4.95 121.20 111.82 2ron s ILE 239 Ca -0.15 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.56 2ron s ILE 239 Cb 0.04 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2ron s ILE 239 CO 0.72 -0.25 1.18 -0.51 0.00 0.00 0.00 174.94 176.08 2ron s ILE 240 N 6.95 4.21 0.66 2.92 2.07 -1.26 -4.83 121.20 131.92 2ron s ILE 240 Ca 0.85 1.56 -0.11 0.00 -1.41 0.00 0.00 60.65 61.55 2ron s ILE 240 Cb -0.27 -4.00 -0.02 0.00 0.13 0.00 0.00 42.46 38.30 2ron s ILE 240 CO 0.34 0.07 1.05 -1.10 -1.91 0.00 0.00 174.94 173.38 2ron s GLN 241 N 1.59 3.29 0.00 3.50 -0.21 -1.26 -5.19 119.66 121.37 2ron s GLN 241 Ca 0.57 0.78 0.16 0.00 0.02 0.00 0.00 55.36 56.89 2ron s GLN 241 Cb -0.27 -2.04 0.93 0.00 1.00 0.00 0.00 33.01 32.63 2ron s GLN 241 CO 0.26 -0.80 1.34 -0.35 -2.12 0.00 0.00 175.29 173.61