#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 -0.45 0.34 7.83 0.01 -1.23 -4.85 113.70 115.35 2ron s SER 2 Ca 0.00 -0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.20 2ron s SER 2 Cb 0.00 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 2ron s SER 2 CO 0.00 -0.95 0.37 -1.58 0.41 0.00 0.00 173.24 171.49 2ron s GLN 3 N -3.61 2.87 -0.28 12.44 2.00 -1.21 -3.97 119.66 127.89 2ron s GLN 3 Ca 0.04 -1.20 -0.20 0.00 -2.00 0.00 0.00 55.36 52.01 2ron s GLN 3 Cb -0.02 -2.61 0.13 0.00 0.80 0.00 0.00 33.01 31.31 2ron s GLN 3 CO -0.08 0.06 0.95 -0.48 -0.50 0.00 0.00 175.29 175.25 2ron s LEU 4 N -4.07 -0.55 0.67 3.68 2.34 -1.26 -1.67 118.68 117.81 2ron s LEU 4 Ca 0.43 0.94 -0.14 0.00 0.06 0.00 0.00 54.13 55.42 2ron s LEU 4 Cb -0.07 1.90 0.00 0.00 -0.56 0.00 0.00 46.19 47.46 2ron s LEU 4 CO 0.28 -0.15 1.09 0.12 -1.06 0.00 0.00 176.35 176.63 2ron s PHE 5 N 0.93 2.75 -0.30 3.48 5.36 0.11 -4.89 117.98 125.42 2ron s PHE 5 Ca -0.04 1.53 -0.15 0.00 -0.96 0.00 0.00 56.93 57.31 2ron s PHE 5 Cb -0.04 -3.08 0.16 0.00 -0.34 0.00 0.00 43.02 39.72 2ron s PHE 5 CO -0.12 -1.53 0.98 -1.59 -1.46 0.00 0.00 175.22 171.51 2ron s LYS 6 N -4.32 0.31 -0.24 10.12 -2.85 -1.26 -2.10 119.74 119.40 2ron s LYS 6 Ca 0.64 0.73 -0.02 0.00 -1.00 0.00 0.00 55.97 56.32 2ron s LYS 6 Cb -0.18 0.39 0.12 0.00 -2.06 0.00 0.00 37.83 36.10 2ron s LYS 6 CO 0.44 -0.10 0.32 -1.12 0.10 0.00 0.00 175.35 175.00 2ron s SER 7 N 2.28 0.77 0.34 0.03 0.01 -0.48 -4.99 113.70 111.66 2ron s SER 7 Ca -0.04 -0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 2ron s SER 7 Cb -0.06 0.82 -0.05 0.00 0.21 0.00 0.00 66.02 66.94 2ron s SER 7 CO -0.17 -0.32 0.63 0.72 0.41 0.00 0.00 173.24 174.51 2ron s PHE 8 N 2.46 3.48 -0.31 2.43 -0.71 -1.26 -0.81 117.98 123.26 2ron s PHE 8 Ca 0.10 0.77 -0.02 0.00 -1.04 0.00 0.00 56.93 56.74 2ron s PHE 8 Cb -0.15 -2.22 0.10 0.00 -1.21 0.00 0.00 43.02 39.55 2ron s PHE 8 CO -0.18 0.06 0.13 0.34 -1.34 0.00 0.00 175.22 174.23 2ron s ASP 9 N -3.23 3.66 -2.19 1.98 -1.08 -1.26 -4.82 116.67 109.73 2ron s ASP 9 Ca 0.46 -1.53 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 2ron s ASP 9 Cb -0.10 -0.55 0.00 0.00 -1.46 0.00 0.00 42.92 40.80 2ron s ASP 9 CO 0.31 -0.41 0.00 0.00 0.52 0.00 0.00 175.17 175.59 2ron n ALA 10 N 4.95 -0.31 -3.69 3.66 0.00 -1.26 -2.78 120.51 121.07 2ron n ALA 10 Ca -0.03 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 2ron n ALA 10 Cb 0.41 -2.04 0.04 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.36 -5.32 0.00 0.00 7.64 -1.26 -4.95 113.62 108.37 2ron n SER 11 Ca -0.21 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.65 2ron n SER 11 Cb 0.68 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 2ron n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ron n GLU 12 N -4.21 0.00 -3.88 1.43 -0.58 -1.12 -4.83 120.64 107.45 2ron n GLU 12 Ca -0.09 0.34 -0.11 0.00 -0.42 0.00 0.00 57.16 56.87 2ron n GLU 12 Cb 0.59 -0.83 -0.13 0.00 -0.57 0.00 0.00 31.44 30.50 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2ron s LYS 13 N -1.00 0.16 -0.21 3.49 1.02 -1.26 -4.74 119.74 117.21 2ron s LYS 13 Ca 0.00 -0.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.76 2ron s LYS 13 Cb 0.00 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 2ron s LYS 13 CO 0.00 -0.03 0.29 0.99 -0.92 0.00 0.00 175.35 175.68 2ron s THR 14 N -0.40 5.28 -0.18 2.17 2.01 -1.21 -0.01 115.64 123.29 2ron s THR 14 Ca -0.05 0.47 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 2ron s THR 14 Cb -0.03 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.90 2ron s THR 14 CO 0.00 0.32 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.09 2ron s GLN 15 N 1.04 1.51 -0.24 4.92 -0.21 -1.08 -1.90 119.66 123.70 2ron s GLN 15 Ca 0.14 -0.63 -0.07 0.00 0.02 0.00 0.00 55.36 54.82 2ron s GLN 15 Cb -0.14 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 2ron s GLN 15 CO 0.06 -0.47 0.06 -1.17 -2.12 0.00 0.00 175.29 171.64 2ron s LEU 16 N 1.57 3.40 -0.26 2.90 0.20 0.99 -2.59 118.68 124.89 2ron s LEU 16 Ca -0.01 -0.21 -0.03 0.00 0.69 0.00 0.00 54.13 54.57 2ron s LEU 16 Cb -0.16 -1.91 0.09 0.00 -0.43 0.00 0.00 46.19 43.78 2ron s LEU 16 CO -0.08 -0.02 0.10 0.27 -0.29 0.00 0.00 176.35 176.34 2ron s ILE 17 N 1.52 0.17 -0.39 6.68 -4.36 -1.12 -0.13 121.20 123.57 2ron s ILE 17 Ca 0.06 -0.73 -0.19 0.00 -0.26 0.00 0.00 60.65 59.53 2ron s ILE 17 Cb -0.15 -1.03 0.01 0.00 1.25 0.00 0.00 42.46 42.54 2ron s ILE 17 CO 0.03 -0.57 0.53 0.00 0.24 0.00 0.00 174.94 175.17 2ron n PHE 19 N 5.85 -1.93 -0.71 0.00 3.72 -1.26 -4.84 117.46 118.30 2ron n PHE 19 Ca -0.05 0.52 -0.12 0.00 -0.05 0.00 0.00 57.45 57.76 2ron n PHE 19 Cb 0.48 -3.56 0.10 0.00 -0.94 0.00 0.00 39.48 35.56 2ron n PHE 19 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ron n PRO 20 N -4.14 -1.86 -3.71 -1.08 -0.04 -1.26 -5.02 135.00 117.89 2ron n PRO 20 Ca -0.12 -0.69 -0.13 0.00 -0.04 0.00 0.00 63.50 62.52 2ron n PRO 20 Cb 0.60 -0.65 -0.09 0.00 -0.04 0.00 0.00 33.50 33.32 2ron n PRO 20 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ron s PHE 21 N -1.78 -0.55 0.01 0.54 -0.71 -1.26 -5.09 117.98 109.15 2ron s PHE 21 Ca 0.28 1.30 -0.07 0.00 -1.04 0.00 0.00 56.93 57.40 2ron s PHE 21 Cb -0.03 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2ron s PHE 21 CO 0.21 -0.27 1.10 0.00 -1.34 0.00 0.00 175.22 174.93 2ron h ALA 22 N 5.63 -1.06 -0.59 1.99 0.00 -1.99 -3.42 119.26 119.82 2ron h ALA 22 Ca -0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ron h ALA 22 Cb 1.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ron h ALA 22 CO 0.22 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 178.83 2ron n GLY 23 N -1.10 3.47 0.00 0.00 0.00 -1.26 -2.33 105.19 103.97 2ron n GLY 23 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.28 -0.02 0.00 -1.26 -4.67 105.19 99.52 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 0.38 0.08 1.61 -0.00 -1.91 -1.25 116.97 115.88 2ron h TYR 25 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 58.73 58.72 2ron h TYR 25 Cb 0.78 -0.12 0.00 0.00 0.00 0.00 0.00 36.73 37.39 2ron h TYR 25 CO 0.00 0.32 -0.04 1.03 -0.00 0.00 0.00 178.16 179.47 2ron h SER 26 N 0.38 -0.09 0.05 0.10 0.87 -1.71 0.56 113.55 113.71 2ron h SER 26 Ca 0.10 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 2ron h SER 26 Cb 0.12 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2ron h SER 26 CO -0.01 0.20 -0.14 0.00 -0.53 0.00 0.00 176.83 176.35 2ron h ALA 27 N 0.50 1.54 -0.10 6.23 0.00 -1.68 0.74 119.26 126.49 2ron h ALA 27 Ca -0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 2ron h ALA 27 Cb 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ron h ALA 27 CO 0.02 0.33 -0.85 0.66 0.00 0.00 0.00 179.25 179.41 2ron h SER 28 N 0.19 0.89 0.98 0.00 4.64 -1.09 -3.20 113.55 115.95 2ron h SER 28 Ca 0.04 -0.62 -0.13 0.00 -0.47 0.00 0.00 61.79 60.61 2ron h SER 28 Cb 0.37 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2ron h SER 28 CO 0.02 1.42 -0.61 0.15 -0.87 0.00 0.00 176.83 176.94 2ron h PHE 29 N 0.47 0.00 -0.81 4.77 3.04 -0.56 -3.25 116.94 120.60 2ron h PHE 29 Ca -0.07 0.00 0.08 0.00 3.98 0.00 0.00 57.97 61.95 2ron h PHE 29 Cb 1.48 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.89 2ron h PHE 29 CO 0.09 0.61 -0.55 0.00 -2.02 0.00 0.00 178.31 176.43 2ron h ARG 30 N 0.00 -0.09 -0.35 1.11 2.47 -0.85 0.15 114.38 116.82 2ron h ARG 30 Ca -0.01 0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 2ron h ARG 30 Cb 1.26 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2ron h ARG 30 CO 0.08 -0.06 -0.35 -1.00 0.56 0.00 0.00 179.97 179.20 2ron h PRO 31 N -0.10 0.85 0.10 0.04 0.13 -1.72 -0.77 132.00 130.53 2ron h PRO 31 Ca 0.13 -0.45 0.02 0.00 -0.87 0.00 0.00 66.00 64.83 2ron h PRO 31 Cb 0.43 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.53 2ron h PRO 31 CO -0.81 1.09 -0.48 -0.07 -0.23 0.00 0.00 178.00 177.49 2ron h LEU 32 N 0.64 -1.45 -0.79 1.56 4.07 -1.29 -1.65 115.31 116.40 2ron h LEU 32 Ca 0.05 0.16 -0.13 0.00 0.08 0.00 0.00 57.88 58.05 2ron h LEU 32 Cb 0.93 0.54 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 2ron h LEU 32 CO 0.09 -0.52 -0.52 1.12 -1.08 0.00 0.00 178.44 177.52 2ron h HIS 33 N -0.70 0.27 -0.30 1.13 2.07 -0.83 -0.34 115.15 116.45 2ron h HIS 33 Ca 0.01 -0.09 0.09 0.00 -2.85 0.00 0.00 60.37 57.53 2ron h HIS 33 Cb 0.72 -0.05 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 2ron h HIS 33 CO -0.43 0.69 0.28 0.00 -3.07 0.00 0.00 177.93 175.40 2ron h ALA 34 N 1.29 2.06 0.00 6.11 0.00 -0.47 0.31 119.26 128.55 2ron h ALA 34 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ron h ALA 34 Cb 0.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ron h ALA 34 CO 0.08 -0.43 -0.96 0.34 0.00 0.00 0.00 179.25 178.28 2ron n PHE 35 N -3.99 0.00 -0.08 0.00 7.35 -0.68 -4.66 117.46 115.39 2ron n PHE 35 Ca 0.04 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.58 2ron n PHE 35 Cb 0.43 -0.11 -0.10 0.00 0.35 0.00 0.00 39.48 40.05 2ron n PHE 35 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2ron h LEU 36 N 0.00 0.00 -9.16 -2.13 7.12 0.14 -3.49 115.31 107.79 2ron h LEU 36 Ca 0.00 -0.58 -0.51 0.00 0.13 0.00 0.00 57.88 56.91 2ron h LEU 36 Cb 0.35 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.35 2ron h LEU 36 CO 0.00 1.15 -0.50 0.00 -0.13 0.00 0.00 178.44 178.96 2ron s GLN 37 N -2.23 1.84 -0.23 1.25 -2.07 0.97 -5.05 119.66 114.15 2ron s GLN 37 Ca -0.21 -2.10 -0.29 0.00 -1.82 0.00 0.00 55.36 50.94 2ron s GLN 37 Cb 0.02 -0.10 0.15 0.00 -1.09 0.00 0.00 33.01 31.99 2ron s GLN 37 CO 0.53 -0.58 1.17 0.20 -1.32 0.00 0.00 175.29 175.29 2ron s GLY 38 N -3.48 -0.07 -1.12 2.60 0.00 -1.26 -4.32 107.32 99.67 2ron s GLY 38 Ca 0.32 2.54 -0.10 0.00 0.00 0.00 0.00 44.72 47.49 2ron s GLY 38 CO 0.21 1.26 0.86 -2.21 0.00 0.00 0.00 173.10 173.23 2ron n GLU 39 N 0.94 -2.54 -4.20 2.90 4.07 -1.26 -5.02 120.64 115.54 2ron n GLU 39 Ca -0.07 0.71 -0.27 0.00 -0.06 0.00 0.00 57.16 57.47 2ron n GLU 39 Cb 0.58 -5.24 -0.06 0.00 -0.06 0.00 0.00 31.44 26.66 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ron s GLU 41 N -3.99 4.04 -0.21 0.00 2.02 0.98 -4.45 118.70 117.09 2ron s GLU 41 Ca 0.32 2.12 -0.04 0.00 0.02 0.00 0.00 54.97 57.39 2ron s GLU 41 Cb 0.02 -4.04 -0.01 0.00 0.10 0.00 0.00 34.13 30.20 2ron s GLU 41 CO 0.18 -1.02 -0.05 -1.64 0.02 0.00 0.00 175.26 172.75 2ron s MET 42 N 4.35 3.38 0.04 1.61 -1.94 0.01 -2.62 119.30 124.13 2ron s MET 42 Ca 0.76 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 54.09 2ron s MET 42 Cb -0.33 -2.98 -0.03 0.00 2.01 0.00 0.00 34.83 33.51 2ron s MET 42 CO 0.31 -0.16 0.02 -0.48 -0.01 0.00 0.00 175.02 174.70 2ron s LEU 43 N 1.39 2.18 0.30 -0.03 0.05 -1.07 -1.39 118.68 120.11 2ron s LEU 43 Ca 0.05 -0.75 -0.19 0.00 0.05 0.00 0.00 54.13 53.29 2ron s LEU 43 Cb -0.14 0.35 0.02 0.00 -2.05 0.00 0.00 46.19 44.37 2ron s LEU 43 CO -0.03 -0.53 0.70 0.00 -0.55 0.00 0.00 176.35 175.94 2ron s ALA 44 N -3.09 -0.97 0.09 1.48 0.00 -0.89 -2.79 121.76 115.59 2ron s ALA 44 Ca -0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 51.96 51.38 2ron s ALA 44 Cb 0.02 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.93 2ron s ALA 44 CO -0.07 -1.00 0.40 0.00 0.00 0.00 0.00 175.76 175.09 2ron s ALA 45 N -3.62 3.73 0.08 0.00 0.00 -0.89 0.07 121.76 121.12 2ron s ALA 45 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 2ron s ALA 45 Cb -0.05 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2ron s ALA 45 CO 0.08 0.58 -0.01 -1.21 0.00 0.00 0.00 175.76 175.20 2ron s GLU 46 N -2.05 0.71 0.93 0.00 2.02 -0.67 -4.12 118.70 115.53 2ron s GLU 46 Ca 0.35 -1.29 -0.12 0.00 0.02 0.00 0.00 54.97 53.93 2ron s GLU 46 Cb -0.14 0.18 0.15 0.00 0.10 0.00 0.00 34.13 34.42 2ron s GLU 46 CO 0.19 -0.14 1.09 -1.25 0.02 0.00 0.00 175.26 175.17 2ron s PRO 47 N -3.95 0.95 0.54 0.39 0.04 -1.26 -3.35 135.00 128.37 2ron s PRO 47 Ca 0.12 0.71 -0.19 0.00 0.04 0.00 0.00 61.00 61.67 2ron s PRO 47 Cb 0.08 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 2ron s PRO 47 CO -0.06 -2.42 1.13 -1.25 0.04 0.00 0.00 177.00 174.43 2ron s PRO 48 N -4.95 3.36 0.00 0.56 0.04 -1.26 -3.96 135.00 128.79 2ron s PRO 48 Ca 0.64 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2ron s PRO 48 Cb -0.18 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2ron s PRO 48 CO 0.57 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2ron n GLY 49 N 0.15 -0.26 0.31 0.56 0.00 -1.26 -4.98 105.19 99.71 2ron n GLY 49 Ca 0.12 0.27 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 2ron n GLY 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2ron h HIS 50 N 0.00 -0.72 -3.59 1.61 3.86 -2.00 -3.41 115.15 110.91 2ron h HIS 50 Ca 0.00 -0.02 -0.69 0.00 -1.16 0.00 0.00 60.37 58.50 2ron h HIS 50 Cb 0.00 0.24 -0.34 0.00 1.06 0.00 0.00 27.41 28.37 2ron h HIS 50 CO 0.00 -0.45 -0.60 0.20 0.86 0.00 0.00 177.93 177.94 2ron s GLY 51 N -2.05 1.91 -0.22 2.45 0.00 -1.26 -4.92 107.32 103.24 2ron s GLY 51 Ca -0.11 -2.28 0.15 0.00 0.00 0.00 0.00 44.72 42.47 2ron s GLY 51 CO 0.34 0.92 1.56 -0.37 0.00 0.00 0.00 173.10 175.55 2ron n THR 52 N 4.59 2.52 -0.00 0.90 5.66 -1.26 -4.28 114.28 122.40 2ron n THR 52 Ca -0.05 -1.78 -0.01 0.00 -3.05 0.00 0.00 64.05 59.16 2ron n THR 52 Cb 0.42 -0.28 -0.01 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.20 4.64 -4.98 1.09 5.15 -1.26 -4.95 115.26 114.75 2ron n ASN 53 Ca 0.26 -0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 54.05 2ron n ASN 53 Cb 1.05 0.44 -0.01 0.00 -0.53 0.00 0.00 39.78 40.73 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ron s GLN 54 N -2.02 3.08 -0.03 1.20 -2.07 -1.26 -4.92 119.66 113.63 2ron s GLN 54 Ca -0.01 -1.04 0.03 0.00 -1.82 0.00 0.00 55.36 52.52 2ron s GLN 54 Cb 0.00 -2.79 0.00 0.00 -1.09 0.00 0.00 33.01 29.14 2ron s GLN 54 CO 0.04 0.06 -0.12 -0.08 -1.32 0.00 0.00 175.29 173.87 2ron s THR 55 N -2.19 1.03 0.00 3.63 -1.32 -1.26 -3.49 115.64 112.04 2ron s THR 55 Ca 0.45 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 2ron s THR 55 Cb -0.09 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2ron s THR 55 CO 0.31 0.31 0.77 -1.54 -2.21 0.00 0.00 174.62 172.26 2ron n SER 56 N 3.28 0.00 -2.11 8.08 3.41 -1.25 -4.82 113.62 120.20 2ron n SER 56 Ca -0.19 0.77 -0.18 0.00 -0.26 0.00 0.00 58.87 59.01 2ron n SER 56 Cb 0.54 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.64 -0.53 -3.44 7.33 0.00 -1.26 -2.50 120.51 118.47 2ron n ALA 57 Ca 0.00 0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.42 2ron n ALA 57 Cb 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 19.45 17.56 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 -3.28 -7.71 -0.28 0.00 -0.00 -1.26 -4.93 119.36 101.91 2ron n ILE 58 Ca -0.21 -1.17 0.00 0.00 -0.00 0.00 0.00 62.75 61.37 2ron n ILE 58 Cb 0.64 -5.55 0.00 0.00 -0.00 0.00 0.00 39.64 34.73 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 -3.65 1.71 0.13 0.38 1.02 -1.04 -4.74 120.64 114.46 2ron n GLU 59 Ca -0.08 -1.09 0.15 0.00 -0.02 0.00 0.00 57.16 56.13 2ron n GLU 59 Cb 0.61 -0.86 0.69 0.00 -0.02 0.00 0.00 31.44 31.86 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 0.00 0.00 1.62 3.04 -1.92 0.46 116.42 119.62 2ron h ASP 60 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2ron h ASP 60 Cb 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 2ron h ASP 60 CO 0.00 0.00 0.00 -0.11 -2.04 0.00 0.00 179.24 177.09 2ron n LEU 61 N -4.36 0.38 -0.13 0.15 0.00 -1.26 -1.65 117.00 110.13 2ron n LEU 61 Ca 0.04 0.63 0.27 0.00 0.00 0.00 0.00 56.01 56.94 2ron n LEU 61 Cb 0.37 -0.37 0.72 0.00 0.00 0.00 0.00 43.42 44.14 2ron n LEU 61 CO 0.34 -0.37 1.24 1.05 0.00 0.00 0.00 177.39 179.66 2ron h GLU 62 N 0.00 0.00 0.67 1.96 4.11 -1.90 0.37 114.58 119.79 2ron h GLU 62 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2ron h GLU 62 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2ron h GLU 62 CO 0.00 0.00 -0.32 1.49 0.07 0.00 0.00 179.01 180.25 2ron h GLU 63 N 0.00 -0.87 0.18 1.06 4.57 -0.96 -2.15 114.58 116.41 2ron h GLU 63 Ca 0.38 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.61 2ron h GLU 63 Cb 1.55 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 30.34 2ron h GLU 63 CO -0.00 -0.58 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.09 2ron h LEU 64 N -1.24 -0.20 -1.04 1.64 -0.00 -0.55 0.33 115.31 114.24 2ron h LEU 64 Ca -0.09 -0.23 0.27 0.00 -0.00 0.00 0.00 57.88 57.82 2ron h LEU 64 Cb 0.69 0.05 -0.13 0.00 -0.00 0.00 0.00 40.66 41.28 2ron h LEU 64 CO 0.15 0.14 0.60 0.71 -0.00 0.00 0.00 178.44 180.04 2ron h THR 65 N -0.57 0.47 0.18 0.22 1.35 -0.43 0.15 112.91 114.28 2ron h THR 65 Ca -0.02 -0.17 -0.33 0.00 -0.55 0.00 0.00 66.41 65.34 2ron h THR 65 Cb 0.43 -0.07 0.01 0.00 -1.73 0.00 0.00 68.15 66.79 2ron h THR 65 CO 0.04 0.09 -1.56 0.44 -0.25 0.00 0.00 175.52 174.28 2ron h ASP 66 N 0.49 0.59 0.30 5.36 3.32 -1.28 0.28 116.42 125.48 2ron h ASP 66 Ca 0.67 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2ron h ASP 66 Cb 1.39 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2ron h ASP 66 CO -0.49 1.62 0.00 0.25 -1.72 0.00 0.00 179.24 178.90 2ron h LEU 67 N 0.10 0.00 0.00 1.55 5.85 0.19 0.33 115.31 123.33 2ron h LEU 67 Ca -0.27 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 2ron h LEU 67 Cb 2.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.09 2ron h LEU 67 CO 0.20 0.00 -1.42 -1.22 -0.34 0.00 0.00 178.44 175.66 2ron n TYR 68 N -2.37 0.00 -0.55 1.25 4.02 0.30 -4.65 117.16 115.17 2ron n TYR 68 Ca -0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 2ron n TYR 68 Cb 0.12 -0.28 0.22 0.00 -0.02 0.00 0.00 39.34 39.38 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ron n LYS 69 N -3.05 2.93 -0.29 -0.72 4.76 0.97 -4.51 118.16 118.24 2ron n LYS 69 Ca -0.14 -2.31 0.24 0.00 -2.87 0.00 0.00 58.31 53.23 2ron n LYS 69 Cb 0.62 -1.98 0.57 0.00 -1.84 0.00 0.00 35.03 32.40 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 1.86 0.29 -0.44 1.97 5.75 -0.49 0.17 115.11 124.23 2ron h GLN 70 Ca 0.24 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2ron h GLN 70 Cb 2.02 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 30.49 2ron h GLN 70 CO 0.61 0.19 -0.01 1.05 -2.65 0.00 0.00 178.83 178.02 2ron h GLU 71 N 0.30 0.77 -3.87 1.69 4.11 -1.84 -3.41 114.58 112.33 2ron h GLU 71 Ca 0.55 -0.25 -0.51 0.00 0.07 0.00 0.00 59.36 59.22 2ron h GLU 71 Cb 1.57 -0.07 -0.38 0.00 0.50 0.00 0.00 28.75 30.37 2ron h GLU 71 CO -0.20 0.84 -0.78 -0.51 0.07 0.00 0.00 179.01 178.43 2ron s LEU 72 N -9.40 1.19 -0.82 3.06 1.43 0.59 -5.07 118.68 109.66 2ron s LEU 72 Ca -0.13 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.19 2ron s LEU 72 Cb 0.11 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.57 2ron s LEU 72 CO 0.81 -0.22 2.03 0.20 0.23 0.00 0.00 176.35 179.40 2ron s ASN 73 N 1.79 4.92 -0.09 2.29 0.01 -1.22 -4.70 114.94 117.94 2ron s ASN 73 Ca 0.02 -0.32 -0.16 0.00 -0.71 0.00 0.00 52.86 51.69 2ron s ASN 73 Cb -0.15 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 2ron s ASN 73 CO -0.07 -2.89 0.40 -0.22 -1.51 0.00 0.00 177.10 172.81 2ron s LEU 74 N 10.83 4.34 0.88 0.60 1.98 -1.26 -5.06 118.68 130.99 2ron s LEU 74 Ca 0.75 0.79 -0.14 0.00 -2.89 0.00 0.00 54.13 52.64 2ron s LEU 74 Cb -0.09 -2.57 0.01 0.00 0.66 0.00 0.00 46.19 44.20 2ron s LEU 74 CO 0.05 0.15 0.44 0.54 -1.89 0.00 0.00 176.35 175.64 2ron n ARG 75 N 2.97 -0.10 0.00 1.98 1.74 -1.26 -5.00 116.66 116.99 2ron n ARG 75 Ca -0.11 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2ron n ARG 75 Cb 0.52 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.39 -0.43 -3.55 5.56 -0.04 -1.26 -5.04 135.00 128.85 2ron n PRO 76 Ca 0.08 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 2ron n PRO 76 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 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 6.59 0.00 3.54 1.01 -1.26 -5.02 116.67 120.02 2ron s ASP 77 Ca 0.00 0.77 -0.25 0.00 0.71 0.00 0.00 52.55 53.78 2ron s ASP 77 Cb 0.00 -2.17 -0.18 0.00 1.01 0.00 0.00 42.92 41.59 2ron s ASP 77 CO 0.00 0.06 1.26 0.03 0.21 0.00 0.00 175.17 176.73 2ron h ARG 78 N 3.05 -0.21 -7.02 8.23 3.08 -1.88 -3.45 114.38 116.18 2ron h ARG 78 Ca -0.47 0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.09 2ron h ARG 78 Cb 1.18 0.05 0.07 0.00 0.08 0.00 0.00 29.97 31.34 2ron h ARG 78 CO 0.69 0.15 0.47 -1.25 -1.07 0.00 0.00 179.97 178.96 2ron s PRO 79 N -4.56 3.65 -0.28 0.04 0.04 -1.26 -4.47 135.00 128.17 2ron s PRO 79 Ca -0.15 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 2ron s PRO 79 Cb 0.02 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 32.35 2ron s PRO 79 CO 0.59 -0.63 0.79 0.12 0.04 0.00 0.00 177.00 177.91 2ron s PHE 80 N -1.61 -0.79 -0.09 0.56 5.36 -0.83 -3.35 117.98 117.24 2ron s PHE 80 Ca 0.66 1.78 -0.02 0.00 -0.96 0.00 0.00 56.93 58.39 2ron s PHE 80 Cb -0.27 0.39 0.04 0.00 -0.34 0.00 0.00 43.02 42.84 2ron s PHE 80 CO 0.32 -0.38 0.04 0.14 -1.46 0.00 0.00 175.22 173.88 2ron s VAL 81 N 0.76 0.16 -0.13 3.12 -7.23 -0.80 -3.68 120.40 112.61 2ron s VAL 81 Ca -0.03 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.20 2ron s VAL 81 Cb -0.05 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 2ron s VAL 81 CO -0.07 0.09 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.56 2ron s LEU 82 N 2.05 3.36 -0.33 1.32 2.96 -1.23 -0.01 118.68 126.80 2ron s LEU 82 Ca 0.04 -0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2ron s LEU 82 Cb -0.13 -1.79 0.08 0.00 0.50 0.00 0.00 46.19 44.84 2ron s LEU 82 CO -0.05 0.24 0.04 -0.36 -1.32 0.00 0.00 176.35 174.90 2ron s PHE 83 N -0.08 3.44 0.00 5.38 0.08 0.82 -4.43 117.98 123.19 2ron s PHE 83 Ca 0.03 -2.30 0.00 0.00 0.12 0.00 0.00 56.93 54.78 2ron s PHE 83 Cb -0.13 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2ron s PHE 83 CO 0.02 -0.89 0.00 0.41 -0.10 0.00 0.00 175.22 174.67 2ron n GLY 84 N 4.51 1.04 3.91 4.36 0.00 -1.26 -3.21 105.19 114.55 2ron n GLY 84 Ca -0.07 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 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 1.02 1.55 -0.36 1.61 0.09 -1.26 -4.85 115.29 113.10 2ron s HIS 85 Ca 0.00 -0.85 0.08 0.00 -0.00 0.00 0.00 55.06 54.29 2ron s HIS 85 Cb 0.00 -1.92 0.69 0.00 -0.00 0.00 0.00 32.58 31.35 2ron s HIS 85 CO 0.00 -0.54 1.76 0.43 -0.00 0.00 0.00 174.74 176.39 2ron n SER 86 N -1.81 4.53 -0.03 1.40 7.64 -1.26 -3.92 113.62 120.17 2ron n SER 86 Ca -0.01 -3.19 -0.03 0.00 1.01 0.00 0.00 58.87 56.64 2ron n SER 86 Cb 0.64 -0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 2ron n SER 86 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2ron n MET 87 N -0.26 0.84 -3.71 1.43 0.00 -1.26 -5.09 117.12 109.08 2ron n MET 87 Ca 0.41 0.02 0.00 0.00 0.00 0.00 0.00 57.70 58.14 2ron n MET 87 Cb 1.38 -1.11 0.00 0.00 0.00 0.00 0.00 33.22 33.48 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 3.12 -0.61 0.00 3.17 0.00 -1.26 -5.10 105.19 104.52 2ron n GLY 88 Ca -0.09 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.31 0.00 -0.02 0.00 -1.26 -4.34 105.19 99.26 2ron n GLY 89 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ron n GLY 89 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ron n MET 90 N 0.00 0.00 -0.17 1.61 2.81 -1.26 -1.85 117.12 118.26 2ron n MET 90 Ca 0.00 0.42 -0.01 0.00 -1.81 0.00 0.00 57.70 56.30 2ron n MET 90 Cb 0.00 -1.26 0.07 0.00 -0.71 0.00 0.00 33.22 31.32 2ron n MET 90 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2ron h ILE 91 N 0.00 0.58 0.00 2.02 2.04 -1.97 0.28 117.51 120.45 2ron h ILE 91 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2ron h ILE 91 Cb 0.00 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2ron h ILE 91 CO 0.00 0.02 0.00 0.35 0.00 0.00 0.00 178.15 178.52 2ron n THR 92 N -5.24 0.00 -0.20 -0.27 -2.24 -1.25 -1.04 114.28 104.05 2ron n THR 92 Ca 0.07 1.47 0.00 0.00 -2.27 0.00 0.00 64.05 63.31 2ron n THR 92 Cb 0.30 -2.23 0.11 0.00 -2.10 0.00 0.00 70.33 66.40 2ron n THR 92 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2ron h PHE 93 N 0.00 0.27 -0.99 4.78 3.04 -1.21 -0.47 116.94 122.36 2ron h PHE 93 Ca 0.00 0.03 0.24 0.00 3.98 0.00 0.00 57.97 62.23 2ron h PHE 93 Cb 0.00 -0.03 -0.13 0.00 2.56 0.00 0.00 35.95 38.35 2ron h PHE 93 CO -0.30 0.02 0.57 -0.09 -2.02 0.00 0.00 178.31 176.49 2ron h ARG 94 N 0.31 0.54 0.26 1.11 2.43 -0.16 0.40 114.38 119.27 2ron h ARG 94 Ca 0.31 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2ron h ARG 94 Cb 0.43 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2ron h ARG 94 CO -0.36 0.36 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.26 2ron h LEU 95 N 0.55 -0.30 0.47 3.80 3.38 0.56 -2.15 115.31 121.62 2ron h LEU 95 Ca 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 2ron h LEU 95 Cb 1.21 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2ron h LEU 95 CO -0.49 0.19 -0.50 0.00 0.09 0.00 0.00 178.44 177.73 2ron h ALA 96 N -0.50 -1.14 0.02 1.53 0.00 -0.64 0.25 119.26 118.78 2ron h ALA 96 Ca -0.04 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ron h ALA 96 Cb 0.50 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2ron h ALA 96 CO 0.06 -1.18 -0.53 0.37 0.00 0.00 0.00 179.25 177.97 2ron h GLN 97 N -0.98 -0.66 -0.62 0.00 4.15 -0.37 -1.11 115.11 115.52 2ron h GLN 97 Ca -0.06 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.53 2ron h GLN 97 Cb 0.86 0.15 -0.09 0.00 0.21 0.00 0.00 27.48 28.61 2ron h GLN 97 CO -0.08 -0.44 0.12 -0.22 -1.93 0.00 0.00 178.83 176.28 2ron h LYS 98 N -0.68 0.24 -0.99 1.69 3.64 -1.30 0.35 116.57 119.52 2ron h LYS 98 Ca 0.01 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 2ron h LYS 98 Cb 0.73 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.41 2ron h LYS 98 CO -0.34 0.16 0.62 1.25 -2.27 0.00 0.00 179.45 178.86 2ron h LEU 99 N 0.24 0.85 0.14 5.20 5.85 0.34 0.26 115.31 128.19 2ron h LEU 99 Ca 0.33 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2ron h LEU 99 Cb 0.51 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ron h LEU 99 CO -0.43 0.41 -0.07 -0.08 -0.34 0.00 0.00 178.44 177.93 2ron h GLU 100 N 0.89 -0.18 -0.99 1.25 4.22 0.28 -0.95 114.58 119.09 2ron h GLU 100 Ca 0.51 0.01 0.19 0.00 0.08 0.00 0.00 59.36 60.15 2ron h GLU 100 Cb 0.63 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 2ron h GLU 100 CO -0.28 -0.12 0.61 0.07 -2.18 0.00 0.00 179.01 177.12 2ron h ARG 101 N -0.21 0.70 -0.51 1.92 0.11 -1.31 0.25 114.38 115.33 2ron h ARG 101 Ca -0.02 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 2ron h ARG 101 Cb 0.14 -0.16 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 2ron h ARG 101 CO 0.03 0.46 0.20 0.93 0.10 0.00 0.00 179.97 181.69 2ron h GLU 102 N 0.72 0.73 0.01 0.08 4.39 -0.46 -3.21 114.58 116.84 2ron h GLU 102 Ca 0.56 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 2ron h GLU 102 Cb 0.94 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2ron h GLU 102 CO -0.35 0.60 -0.00 0.78 -1.16 0.00 0.00 179.01 178.88 2ron h GLY 103 N 0.87 -0.01 -6.23 -3.84 0.00 0.81 -3.47 103.07 91.20 2ron h GLY 103 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.33 2ron h GLY 103 CO -0.02 -0.00 -0.47 -0.42 0.00 0.00 0.00 176.54 175.63 2ron s ILE 104 N -2.11 -0.36 -0.02 2.60 -1.09 0.26 -4.89 121.20 115.61 2ron s ILE 104 Ca -0.13 0.22 -0.21 0.00 -2.23 0.00 0.00 60.65 58.29 2ron s ILE 104 Cb -0.02 -0.49 -0.13 0.00 -1.58 0.00 0.00 42.46 40.24 2ron s ILE 104 CO 0.48 0.09 0.94 0.15 -1.23 0.00 0.00 174.94 175.37 2ron h PHE 105 N 7.96 -0.51 -1.43 3.97 3.57 -1.80 -3.37 116.94 125.33 2ron h PHE 105 Ca -0.21 -0.01 -0.41 0.00 3.53 0.00 0.00 57.97 60.87 2ron h PHE 105 Cb 1.13 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 2ron h PHE 105 CO 0.34 -0.20 1.08 -1.25 -2.23 0.00 0.00 178.31 176.05 2ron s PRO 106 N -3.99 2.59 0.26 6.41 0.04 -1.26 -4.95 135.00 134.10 2ron s PRO 106 Ca -0.12 0.22 0.09 0.00 0.04 0.00 0.00 61.00 61.23 2ron s PRO 106 Cb 0.01 -4.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.83 2ron s PRO 106 CO 0.40 -3.02 -0.01 1.14 0.04 0.00 0.00 177.00 175.56 2ron s GLN 107 N 7.03 2.29 0.00 4.56 -2.07 -1.26 -4.81 119.66 125.40 2ron s GLN 107 Ca 0.68 -1.39 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 2ron s GLN 107 Cb -0.10 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.65 2ron s GLN 107 CO 0.11 0.37 0.00 0.00 -1.32 0.00 0.00 175.29 174.46 2ron n ALA 108 N -0.80 0.00 -2.49 2.60 0.00 -1.26 -4.95 120.51 113.61 2ron n ALA 108 Ca -0.07 -0.08 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 2ron n ALA 108 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.40 4.86 -0.10 0.00 -7.23 -1.26 -3.38 120.40 112.89 2ron s VAL 109 Ca 0.00 1.44 -0.05 0.00 -1.81 0.00 0.00 61.98 61.56 2ron s VAL 109 Cb 0.00 -4.03 0.05 0.00 0.56 0.00 0.00 36.38 32.96 2ron s VAL 109 CO 0.00 0.36 0.23 -0.63 -0.31 0.00 0.00 175.10 174.75 2ron s ILE 110 N 0.06 -0.07 -0.04 -0.62 1.01 -0.73 -1.96 121.20 118.85 2ron s ILE 110 Ca 0.35 0.16 0.05 0.00 0.00 0.00 0.00 60.65 61.21 2ron s ILE 110 Cb -0.19 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 2ron s ILE 110 CO 0.20 0.07 -0.17 -0.51 0.00 0.00 0.00 174.94 174.52 2ron s ILE 111 N 1.33 1.43 0.40 2.92 2.07 -1.24 -3.01 121.20 125.10 2ron s ILE 111 Ca -0.09 -0.73 0.08 0.00 -1.41 0.00 0.00 60.65 58.50 2ron s ILE 111 Cb -0.11 -1.22 -0.05 0.00 0.13 0.00 0.00 42.46 41.21 2ron s ILE 111 CO -0.08 0.41 0.17 -0.44 -1.91 0.00 0.00 174.94 173.09 2ron s SER 112 N -0.07 4.46 0.32 4.50 0.01 -1.11 -3.52 113.70 118.30 2ron s SER 112 Ca -0.01 -1.02 -0.18 0.00 1.31 0.00 0.00 55.95 56.05 2ron s SER 112 Cb -0.10 -0.52 0.06 0.00 0.21 0.00 0.00 66.02 65.67 2ron s SER 112 CO 0.01 -0.50 0.87 0.00 0.41 0.00 0.00 173.24 174.04 2ron s ALA 113 N -2.57 -1.00 -1.14 1.44 0.00 -1.26 -3.48 121.76 113.74 2ron s ALA 113 Ca 0.41 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2ron s ALA 113 Cb 0.03 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2ron s ALA 113 CO 0.23 -1.01 0.81 -0.89 0.00 0.00 0.00 175.76 174.90 2ron n ILE 114 N -0.59 -6.63 -3.17 0.00 5.41 -1.23 -4.47 119.36 108.68 2ron n ILE 114 Ca -0.07 -1.00 -0.43 0.00 1.00 0.00 0.00 62.75 62.25 2ron n ILE 114 Cb 0.60 -4.91 -0.07 0.00 -0.71 0.00 0.00 39.64 34.55 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 -5.49 3.15 1.00 0.38 -0.21 -1.26 -4.36 119.66 112.86 2ron s GLN 115 Ca 0.38 -0.78 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 2ron s GLN 115 Cb -0.10 -4.06 0.19 0.00 1.00 0.00 0.00 33.01 30.04 2ron s GLN 115 CO 0.81 -1.15 1.09 -1.25 -2.12 0.00 0.00 175.29 172.68 2ron s PRO 116 N 2.61 0.44 0.25 2.91 0.04 -1.26 -3.37 135.00 136.62 2ron s PRO 116 Ca 0.16 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.76 2ron s PRO 116 Cb -0.18 -1.74 0.31 0.00 0.04 0.00 0.00 34.50 32.93 2ron s PRO 116 CO 0.13 -2.73 1.62 -1.00 0.04 0.00 0.00 177.00 175.07 2ron h PRO 117 N -1.89 0.38 -6.86 0.56 0.13 -1.96 -3.45 132.00 118.91 2ron h PRO 117 Ca -0.54 -0.20 -0.53 0.00 -0.87 0.00 0.00 66.00 63.86 2ron h PRO 117 Cb 1.33 0.01 0.08 0.00 0.13 0.00 0.00 31.00 32.54 2ron h PRO 117 CO 0.57 0.76 0.74 -3.38 -0.23 0.00 0.00 178.00 176.46 2ron s HIS 118 N -4.11 2.88 0.01 1.56 -3.43 -1.26 -4.86 115.29 106.08 2ron s HIS 118 Ca -0.06 1.18 -0.08 0.00 -0.80 0.00 0.00 55.06 55.30 2ron s HIS 118 Cb 0.13 -3.85 0.00 0.00 -1.43 0.00 0.00 32.58 27.42 2ron s HIS 118 CO 0.80 -2.57 0.16 0.96 -2.00 0.00 0.00 174.74 172.09 2ron s ILE 119 N -0.72 0.09 -0.07 -5.38 -0.00 -1.26 -4.83 121.20 109.02 2ron s ILE 119 Ca 0.54 -0.71 -0.31 0.00 -0.00 0.00 0.00 60.65 60.17 2ron s ILE 119 Cb -0.43 -0.51 -0.09 0.00 -0.00 0.00 0.00 42.46 41.42 2ron s ILE 119 CO 0.53 -0.39 2.01 1.67 -0.00 0.00 0.00 174.94 178.75 2ron n GLN 120 N 1.33 2.40 -1.67 0.37 -0.06 -1.26 -4.70 117.38 113.78 2ron n GLN 120 Ca -0.22 0.84 -0.48 0.00 -2.00 0.00 0.00 57.00 55.14 2ron n GLN 120 Cb 0.56 -2.91 -0.05 0.00 -4.06 0.00 0.00 30.24 23.78 2ron n GLN 120 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2ron n ARG 121 N 7.54 2.05 -3.54 3.69 1.85 -1.26 -4.96 116.66 122.03 2ron n ARG 121 Ca 0.24 0.75 -0.02 0.00 -1.00 0.00 0.00 57.85 57.81 2ron n ARG 121 Cb 0.37 -2.54 -0.05 0.00 -1.05 0.00 0.00 32.46 29.20 2ron n ARG 121 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2ron s LYS 122 N 2.49 0.51 0.55 2.89 2.20 -1.26 -5.11 119.74 122.01 2ron s LYS 122 Ca 0.87 1.23 -0.21 0.00 -0.36 0.00 0.00 55.97 57.50 2ron s LYS 122 Cb -0.72 0.63 -0.06 0.00 -1.51 0.00 0.00 37.83 36.17 2ron s LYS 122 CO 0.46 -0.31 1.15 0.36 -0.36 0.00 0.00 175.35 176.65 2ron n LYS 123 N 5.43 1.33 -4.02 4.03 -0.00 -1.26 -4.77 118.16 118.89 2ron n LYS 123 Ca -0.09 0.49 -0.13 0.00 -0.00 0.00 0.00 58.31 58.58 2ron n LYS 123 Cb 0.50 -2.33 -0.02 0.00 -0.00 0.00 0.00 35.03 33.17 2ron n LYS 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2ron s VAL 124 N -1.37 0.00 -0.23 0.58 -7.23 -1.26 -5.05 120.40 105.83 2ron s VAL 124 Ca 0.72 -1.44 0.13 0.00 -1.81 0.00 0.00 61.98 59.58 2ron s VAL 124 Cb -0.44 -2.71 0.49 0.00 0.56 0.00 0.00 36.38 34.27 2ron s VAL 124 CO 0.49 0.00 1.41 -0.24 -0.31 0.00 0.00 175.10 176.45 2ron n SER 125 N -1.45 2.94 -0.10 4.85 2.88 -1.26 -4.66 113.62 116.82 2ron n SER 125 Ca -0.01 -3.44 -0.13 0.00 -1.33 0.00 0.00 58.87 53.96 2ron n SER 125 Cb 0.61 -0.58 -0.04 0.00 -0.75 0.00 0.00 64.21 63.45 2ron n SER 125 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2ron n HIS 126 N -0.94 0.21 -3.93 0.66 -0.00 -1.26 -5.02 115.22 104.94 2ron n HIS 126 Ca 0.27 0.09 -0.14 0.00 -0.00 0.00 0.00 57.72 57.94 2ron n HIS 126 Cb 0.93 -0.66 -0.15 0.00 -0.00 0.00 0.00 29.99 30.11 2ron n HIS 126 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2ron s LEU 127 N -7.89 1.77 0.08 0.27 2.96 -1.26 -5.02 118.68 109.58 2ron s LEU 127 Ca -0.28 -0.02 0.17 0.00 -0.22 0.00 0.00 54.13 53.78 2ron s LEU 127 Cb 0.06 -0.10 0.71 0.00 0.50 0.00 0.00 46.19 47.36 2ron s LEU 127 CO 0.41 -0.02 1.53 -0.81 -1.32 0.00 0.00 176.35 176.14 2ron n PRO 128 N 3.34 0.06 -0.14 0.98 -0.04 -1.26 -1.89 135.00 136.04 2ron n PRO 128 Ca -0.16 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2ron n PRO 128 Cb 0.57 -1.61 0.19 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.72 3.29 -0.23 3.54 9.92 -1.26 -4.43 116.55 125.65 2ron n ASP 129 Ca 0.03 -1.98 0.01 0.00 -0.53 0.00 0.00 54.79 52.32 2ron n ASP 129 Cb 0.18 -0.18 0.13 0.00 -0.64 0.00 0.00 41.12 40.62 2ron n ASP 129 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2ron h ASP 130 N 4.48 0.38 1.50 -2.24 3.32 -1.78 0.19 116.42 122.27 2ron h ASP 130 Ca 0.00 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2ron h ASP 130 Cb 0.98 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2ron h ASP 130 CO 0.00 0.21 -0.20 0.06 -1.72 0.00 0.00 179.24 177.60 2ron h GLN 131 N 0.54 0.00 0.36 3.56 3.07 -1.82 -2.12 115.11 118.70 2ron h GLN 131 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.07 2ron h GLN 131 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2ron h GLN 131 CO -0.29 0.20 -0.17 0.74 0.09 0.00 0.00 178.83 179.40 2ron h PHE 132 N 0.00 -0.45 0.00 0.06 -1.00 -1.25 -2.13 116.94 112.18 2ron h PHE 132 Ca -0.00 -0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 2ron h PHE 132 Cb 1.00 0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.69 2ron h PHE 132 CO 0.00 -0.12 -0.50 1.37 -1.61 0.00 0.00 178.31 177.45 2ron h LEU 133 N -0.82 0.00 -0.16 1.54 -0.00 -1.41 -1.84 115.31 112.62 2ron h LEU 133 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2ron h LEU 133 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 2ron h LEU 133 CO 0.08 0.50 0.05 0.44 -0.00 0.00 0.00 178.44 179.52 2ron h ASP 134 N 0.00 0.23 0.01 0.17 5.19 -1.38 -0.37 116.42 120.27 2ron h ASP 134 Ca -0.01 -0.19 -0.23 0.00 -0.62 0.00 0.00 57.03 55.98 2ron h ASP 134 Cb 1.12 -0.06 0.02 0.00 0.18 0.00 0.00 39.33 40.59 2ron h ASP 134 CO 0.07 0.36 -0.92 -0.74 -3.12 0.00 0.00 179.24 174.88 2ron h HIS 135 N 0.09 0.91 0.00 4.55 2.76 -1.41 -3.21 115.15 118.84 2ron h HIS 135 Ca 0.05 -0.50 -0.01 0.00 -2.20 0.00 0.00 60.37 57.71 2ron h HIS 135 Cb 0.21 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 2ron h HIS 135 CO -0.01 1.33 -0.06 0.82 -1.30 0.00 0.00 177.93 178.71 2ron h ILE 136 N 0.23 0.94 -7.00 6.26 1.08 -1.32 -3.46 117.51 114.24 2ron h ILE 136 Ca -0.12 -0.23 -0.55 0.00 -0.39 0.00 0.00 64.86 63.58 2ron h ILE 136 Cb 1.59 1.13 -0.05 0.00 -3.07 0.00 0.00 36.82 36.42 2ron h ILE 136 CO 0.18 0.06 -0.90 2.30 -0.69 0.00 0.00 178.15 179.10 2ron n ILE 137 N -4.31 -2.03 0.00 -0.67 -5.35 -0.15 -4.82 119.36 102.03 2ron n ILE 137 Ca -0.03 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 2ron n ILE 137 Cb 0.15 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.29 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 -4.58 0.00 -2.54 6.28 7.27 -1.26 -4.50 117.38 118.05 2ron n GLN 138 Ca -0.14 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.82 2ron n GLN 138 Cb 0.53 -0.01 -0.00 0.00 2.41 0.00 0.00 30.24 33.16 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 -2.53 -1.00 0.00 1.69 7.99 -1.26 -3.99 117.00 117.89 2ron n LEU 139 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 2ron n LEU 139 Cb 0.00 -1.96 0.00 0.00 -0.11 0.00 0.00 43.42 41.35 2ron n LEU 139 CO 0.00 -0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.41 2ron n GLY 140 N -0.79 0.30 2.91 -0.72 0.00 -1.26 -4.73 105.19 100.89 2ron n GLY 140 Ca -0.11 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.57 2.51 -0.02 0.00 -1.26 -5.01 105.19 98.85 2ron n GLY 141 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.25 0.60 -0.24 1.61 0.00 -1.26 -5.03 119.30 113.74 2ron s MET 142 Ca -0.02 -1.30 -0.29 0.00 0.00 0.00 0.00 55.69 54.08 2ron s MET 142 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 34.83 33.37 2ron s MET 142 CO 0.46 -1.17 1.62 -1.25 0.00 0.00 0.00 175.02 174.68 2ron s PRO 143 N 1.13 3.75 -0.29 4.11 0.04 -1.26 -4.56 135.00 137.92 2ron s PRO 143 Ca 0.16 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2ron s PRO 143 Cb -0.22 -4.05 0.14 0.00 0.04 0.00 0.00 34.50 30.42 2ron s PRO 143 CO -0.05 -1.35 1.00 0.00 0.04 0.00 0.00 177.00 176.63 2ron s ALA 144 N 5.35 -2.25 0.00 8.56 0.00 -1.26 -5.02 121.76 127.14 2ron s ALA 144 Ca 0.72 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.83 2ron s ALA 144 Cb -0.24 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2ron s ALA 144 CO 0.30 -0.33 0.00 0.39 0.00 0.00 0.00 175.76 176.12 2ron n GLU 145 N 3.49 0.07 0.00 0.00 1.02 -1.26 -4.88 120.64 119.07 2ron n GLU 145 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2ron n GLU 145 Cb 0.57 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 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 -1.81 0.22 0.22 -4.62 -0.00 -1.26 -4.63 117.00 105.12 2ron n LEU 146 Ca 0.00 -0.57 0.11 0.00 -0.00 0.00 0.00 56.01 55.55 2ron n LEU 146 Cb 0.17 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 43.94 2ron n LEU 146 CO 0.00 0.05 0.79 -0.37 -0.00 0.00 0.00 177.39 177.86 2ron h VAL 147 N 0.02 0.32 -0.89 1.47 -1.51 -1.95 -3.18 116.25 110.52 2ron h VAL 147 Ca 0.00 -1.15 0.24 0.00 -1.23 0.00 0.00 66.70 64.56 2ron h VAL 147 Cb 0.01 1.90 -0.05 0.00 -2.13 0.00 0.00 31.29 31.02 2ron h VAL 147 CO 0.00 0.15 0.62 1.05 -1.23 0.00 0.00 177.57 178.17 2ron h GLU 148 N 0.00 0.14 0.00 5.19 -0.00 -1.91 0.11 114.58 118.10 2ron h GLU 148 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2ron h GLU 148 Cb 0.89 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.61 2ron h GLU 148 CO 0.02 0.09 0.00 -1.71 -0.00 0.00 0.00 179.01 177.41 2ron n ASN 149 N -4.36 0.00 -0.27 3.06 2.85 -1.20 -1.68 115.26 113.66 2ron n ASN 149 Ca 0.19 0.67 0.21 0.00 -0.11 0.00 0.00 54.58 55.55 2ron n ASN 149 Cb 0.87 -0.30 0.53 0.00 1.24 0.00 0.00 39.78 42.12 2ron n ASN 149 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 2ron h LYS 150 N 0.00 0.36 -0.58 1.20 2.10 -1.72 0.28 116.57 118.21 2ron h LYS 150 Ca 0.00 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 2ron h LYS 150 Cb 0.00 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.22 2ron h LYS 150 CO 0.00 0.24 0.24 0.93 -2.00 0.00 0.00 179.45 178.86 2ron h GLU 151 N 0.37 0.84 0.00 0.07 5.08 -0.82 0.35 114.58 120.47 2ron h GLU 151 Ca 0.51 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.65 2ron h GLU 151 Cb 1.35 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2ron h GLU 151 CO -0.20 0.68 -0.46 0.28 -1.00 0.00 0.00 179.01 178.31 2ron h VAL 152 N 0.83 1.14 -0.45 3.13 2.07 0.47 0.30 116.25 123.74 2ron h VAL 152 Ca 0.20 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2ron h VAL 152 Cb 0.15 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2ron h VAL 152 CO -0.02 0.45 0.00 0.23 0.02 0.00 0.00 177.57 178.25 2ron n MET 153 N -3.72 2.49 0.00 1.57 2.81 -0.77 -4.19 117.12 115.31 2ron n MET 153 Ca -0.01 -2.29 0.00 0.00 -1.81 0.00 0.00 57.70 53.59 2ron n MET 153 Cb 0.52 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 2ron n MET 153 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2ron n SER 154 N 1.36 0.00 0.23 7.83 7.64 0.12 -4.59 113.62 126.20 2ron n SER 154 Ca 0.19 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.25 2ron n SER 154 Cb 0.57 0.00 0.81 0.00 -1.01 0.00 0.00 64.21 64.58 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 -4.43 1.43 -1.00 -0.58 -3.39 116.94 108.96 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 0.00 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.59 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 -3.34 -1.73 -1.11 -0.55 -0.00 -0.78 -4.14 117.46 105.81 2ron n PHE 156 Ca 0.02 0.65 -0.35 0.00 -0.00 0.00 0.00 57.45 57.76 2ron n PHE 156 Cb 0.45 -3.16 0.08 0.00 -0.00 0.00 0.00 39.48 36.84 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 -1.70 -0.20 0.23 -2.13 -0.00 -1.26 -4.51 117.00 107.43 2ron n LEU 157 Ca -0.01 0.49 0.11 0.00 -0.00 0.00 0.00 56.01 56.60 2ron n LEU 157 Cb 0.52 -1.16 0.53 0.00 -0.00 0.00 0.00 43.42 43.30 2ron n LEU 157 CO 0.33 -3.56 0.84 1.55 -0.00 0.00 0.00 177.39 176.55 2ron h PRO 158 N -0.74 0.00 -5.76 1.47 0.13 -1.88 -3.42 132.00 121.81 2ron h PRO 158 Ca -0.45 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.25 2ron h PRO 158 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2ron h PRO 158 CO 0.39 0.20 1.34 0.45 -0.23 0.00 0.00 178.00 180.15 2ron s SER 159 N -6.17 4.79 0.51 1.44 0.15 -1.26 -4.78 113.70 108.38 2ron s SER 159 Ca -0.00 0.57 0.30 0.00 0.70 0.00 0.00 55.95 57.52 2ron s SER 159 Cb 0.11 -2.52 1.21 0.00 -1.71 0.00 0.00 66.02 63.11 2ron s SER 159 CO 0.62 -2.74 1.93 -0.26 1.20 0.00 0.00 173.24 174.00 2ron h PHE 160 N 16.61 0.00 0.00 3.44 0.04 -1.98 -2.56 116.94 132.49 2ron h PHE 160 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.56 2ron h PHE 160 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 2ron h PHE 160 CO 1.03 0.08 0.00 -2.13 -0.60 0.00 0.00 178.31 176.69 2ron n ARG 161 N -3.21 0.00 0.22 1.51 3.00 -1.26 -0.14 116.66 116.78 2ron n ARG 161 Ca 0.00 0.41 0.06 0.00 -0.00 0.00 0.00 57.85 58.32 2ron n ARG 161 Cb 0.35 -1.34 0.50 0.00 0.00 0.00 0.00 32.46 31.97 2ron n ARG 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ron h SER 162 N 0.00 0.00 0.00 6.15 0.87 -1.97 -2.20 113.55 116.40 2ron h SER 162 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ron h SER 162 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2ron h SER 162 CO 0.00 0.21 0.00 -0.67 -0.53 0.00 0.00 176.83 175.84 2ron n ASP 163 N -4.21 0.00 -0.34 6.23 2.03 -0.96 0.23 116.55 119.52 2ron n ASP 163 Ca -0.02 0.89 0.16 0.00 0.52 0.00 0.00 54.79 56.34 2ron n ASP 163 Cb 0.27 -0.49 0.38 0.00 -0.72 0.00 0.00 41.12 40.56 2ron n ASP 163 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2ron h TYR 164 N 0.00 0.97 -0.10 -0.67 -1.99 -0.58 0.44 116.97 115.04 2ron h TYR 164 Ca 0.00 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.63 2ron h TYR 164 Cb 0.00 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.43 2ron h TYR 164 CO 0.18 0.14 -0.52 -0.09 -0.00 0.00 0.00 178.16 177.86 2ron h ARG 165 N 0.62 0.27 -0.00 4.88 1.12 -1.41 0.54 114.38 120.41 2ron h ARG 165 Ca 0.60 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 59.31 2ron h ARG 165 Cb 1.13 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2ron h ARG 165 CO -0.40 0.73 -0.19 0.00 -3.11 0.00 0.00 179.97 177.00 2ron n ALA 166 N -2.48 2.81 0.21 2.80 0.00 0.14 0.70 120.51 124.69 2ron n ALA 166 Ca -0.02 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.26 2ron n ALA 166 Cb 0.56 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.47 0.21 0.00 0.00 7.99 0.98 -4.79 117.00 119.92 2ron n LEU 167 Ca 0.07 -0.28 0.00 0.00 -0.01 0.00 0.00 56.01 55.79 2ron n LEU 167 Cb 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2ron n LEU 167 CO 0.30 0.05 -0.20 -0.62 -1.51 0.00 0.00 177.39 175.41 2ron n GLU 168 N -1.45 0.13 -2.52 3.23 -0.58 0.19 -5.04 120.64 114.60 2ron n GLU 168 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 2ron n GLU 168 Cb 0.16 -0.70 0.01 0.00 -0.57 0.00 0.00 31.44 30.34 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 -1.84 -2.29 0.00 3.49 6.02 0.22 -4.84 117.38 118.14 2ron n GLN 169 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2ron n GLN 169 Cb 0.20 -5.19 0.00 0.00 1.02 0.00 0.00 30.24 26.27 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 -4.10 0.00 -0.87 1.08 3.72 -1.26 -5.05 117.46 110.97 2ron n PHE 170 Ca -0.15 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.91 2ron n PHE 170 Cb 0.63 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.26 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 -1.18 -0.19 -4.31 -1.08 4.71 -1.26 -5.02 120.64 112.30 2ron n GLU 171 Ca 0.00 -0.03 -0.20 0.00 -0.01 0.00 0.00 57.16 56.92 2ron n GLU 171 Cb 0.21 -1.58 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 2ron n GLU 171 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ron s LEU 172 N 1.84 1.78 0.49 -4.62 1.43 -1.26 -4.96 118.68 113.38 2ron s LEU 172 Ca 0.52 -1.75 0.33 0.00 -1.03 0.00 0.00 54.13 52.20 2ron s LEU 172 Cb -0.21 0.47 1.67 0.00 0.03 0.00 0.00 46.19 48.16 2ron s LEU 172 CO 0.72 -1.05 2.01 0.10 0.23 0.00 0.00 176.35 178.37 2ron h TYR 173 N 2.09 0.00 -3.45 0.29 -0.00 -2.02 -3.38 116.97 110.51 2ron h TYR 173 Ca -0.26 0.00 -0.72 0.00 0.00 0.00 0.00 58.73 57.75 2ron h TYR 173 Cb 1.24 0.00 -0.25 0.00 0.00 0.00 0.00 36.73 37.72 2ron h TYR 173 CO 1.68 0.00 -0.44 0.16 -0.00 0.00 0.00 178.16 179.57 2ron s ASP 174 N -4.85 5.86 0.00 0.10 -4.77 -1.26 -4.83 116.67 106.92 2ron s ASP 174 Ca -0.02 -1.26 0.00 0.00 -3.30 0.00 0.00 52.55 47.97 2ron s ASP 174 Cb 0.10 -2.07 0.00 0.00 -1.09 0.00 0.00 42.92 39.86 2ron s ASP 174 CO 0.38 -0.52 0.35 0.00 0.70 0.00 0.00 175.17 176.08 2ron n LEU 175 N 5.05 0.54 -4.72 2.11 -0.00 -1.26 -5.09 117.00 113.64 2ron n LEU 175 Ca -0.11 -0.54 -0.30 0.00 -0.00 0.00 0.00 56.01 55.06 2ron n LEU 175 Cb 0.44 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 44.01 2ron n LEU 175 CO 0.41 0.14 0.67 0.00 -0.00 0.00 0.00 177.39 178.60 2ron s ALA 176 N -0.12 1.48 -1.07 1.47 0.00 -1.26 -4.25 121.76 118.02 2ron s ALA 176 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 2ron s ALA 176 Cb 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 2ron s ALA 176 CO 0.00 -2.41 0.91 1.04 0.00 0.00 0.00 175.76 175.31 2ron n GLN 177 N -3.91 -2.51 -3.71 0.00 6.02 -1.05 -4.97 117.38 107.25 2ron n GLN 177 Ca 0.07 0.84 -0.17 0.00 -0.01 0.00 0.00 57.00 57.72 2ron n GLN 177 Cb 0.56 -5.71 -0.16 0.00 1.02 0.00 0.00 30.24 25.94 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 -3.40 -0.11 -0.29 5.09 -1.09 -1.26 -5.05 121.20 115.10 2ron s ILE 178 Ca 0.42 0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 59.00 2ron s ILE 178 Cb -0.06 -0.17 0.14 0.00 -1.58 0.00 0.00 42.46 40.79 2ron s ILE 178 CO 0.75 0.13 0.94 0.00 -1.23 0.00 0.00 174.94 175.53 2ron s GLN 179 N 1.69 0.40 0.03 2.79 -2.07 -1.26 -2.83 119.66 118.41 2ron s GLN 179 Ca -0.02 0.74 0.00 0.00 -1.82 0.00 0.00 55.36 54.26 2ron s GLN 179 Cb -0.12 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 31.96 2ron s GLN 179 CO -0.04 -0.09 0.00 0.45 -1.32 0.00 0.00 175.29 174.29 2ron n SER 180 N 4.00 -0.26 -2.82 12.60 2.88 -1.26 -4.78 113.62 123.98 2ron n SER 180 Ca -0.17 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2ron n SER 180 Cb 0.57 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 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 -2.82 -0.40 -4.91 -1.46 -0.04 -1.26 -3.90 135.00 120.21 2ron n PRO 181 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 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 -0.69 2.04 0.01 0.52 1.01 -1.22 -2.13 120.40 119.94 2ron s VAL 182 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2ron s VAL 182 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2ron s VAL 182 CO 0.00 0.55 -0.03 -1.00 0.00 0.00 0.00 175.10 174.62 2ron s HIS 183 N 0.60 0.26 -0.10 5.22 3.76 -0.92 -1.77 115.29 122.35 2ron s HIS 183 Ca -0.12 -0.27 -0.07 0.00 -0.15 0.00 0.00 55.06 54.44 2ron s HIS 183 Cb -0.17 -0.17 0.04 0.00 1.11 0.00 0.00 32.58 33.39 2ron s HIS 183 CO 0.03 -0.08 0.25 0.08 -0.85 0.00 0.00 174.74 174.17 2ron s VAL 184 N -0.73 -0.02 -0.02 -0.90 1.01 -1.16 -3.61 120.40 114.97 2ron s VAL 184 Ca -0.07 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2ron s VAL 184 Cb -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2ron s VAL 184 CO -0.00 0.03 -0.09 -0.36 0.00 0.00 0.00 175.10 174.67 2ron s PHE 185 N 0.69 2.83 -0.28 5.22 0.08 -0.83 -2.76 117.98 122.93 2ron s PHE 185 Ca -0.05 -0.07 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2ron s PHE 185 Cb -0.06 -1.63 0.14 0.00 -0.57 0.00 0.00 43.02 40.91 2ron s PHE 185 CO -0.04 0.31 0.34 -0.80 -0.10 0.00 0.00 175.22 174.93 2ron s ASN 186 N -1.11 1.09 0.00 1.36 0.01 -1.23 -1.52 114.94 113.55 2ron s ASN 186 Ca 0.14 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 2ron s ASN 186 Cb -0.11 0.77 0.00 0.00 0.41 0.00 0.00 41.25 42.32 2ron s ASN 186 CO 0.04 -0.37 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 2ron n GLY 187 N 5.33 -0.38 3.88 0.66 0.00 -0.46 -3.51 105.19 110.71 2ron n GLY 187 Ca -0.01 0.48 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.22 0.00 0.99 -0.00 -1.22 -2.98 117.00 113.58 2ron n LEU 188 Ca 0.00 -0.84 0.11 0.00 -0.00 0.00 0.00 56.01 55.28 2ron n LEU 188 Cb 0.00 -1.02 0.58 0.00 -0.00 0.00 0.00 43.42 42.99 2ron n LEU 188 CO 0.00 0.47 0.87 -0.90 -0.00 0.00 0.00 177.39 177.83 2ron n ASP 189 N -1.23 0.00 -0.00 1.45 5.75 -1.26 -3.15 116.55 118.11 2ron n ASP 189 Ca -0.11 -0.11 -0.00 0.00 -0.01 0.00 0.00 54.79 54.55 2ron n ASP 189 Cb 0.39 -0.25 -0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2ron n ASP 189 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2ron n ASP 190 N -1.25 0.07 -4.27 -1.12 5.68 -1.26 -0.32 116.55 114.08 2ron n ASP 190 Ca 0.11 0.01 -0.30 0.00 -0.50 0.00 0.00 54.79 54.12 2ron n ASP 190 Cb 0.17 -0.34 -0.16 0.00 -1.14 0.00 0.00 41.12 39.65 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2ron s LYS 191 N -1.07 2.17 -0.02 0.11 2.20 -1.26 -3.76 119.74 118.11 2ron s LYS 191 Ca -0.01 -0.86 0.08 0.00 -0.36 0.00 0.00 55.97 54.81 2ron s LYS 191 Cb 0.00 -1.98 -0.12 0.00 -1.51 0.00 0.00 37.83 34.23 2ron s LYS 191 CO 0.01 0.45 0.15 0.36 -0.36 0.00 0.00 175.35 175.97 2ron n LYS 192 N 2.70 0.56 -0.08 4.03 2.85 -1.26 -4.56 118.16 122.40 2ron n LYS 192 Ca -0.17 -0.06 0.25 0.00 -1.05 0.00 0.00 58.31 57.28 2ron n LYS 192 Cb 0.52 -1.18 0.72 0.00 -0.65 0.00 0.00 35.03 34.43 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 1.27 0.74 0.00 2.10 -1.99 -0.65 117.51 118.98 2ron h ILE 194 Ca 0.34 -1.52 -0.03 0.00 1.08 0.00 0.00 64.86 64.72 2ron h ILE 194 Cb 1.46 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.54 2ron h ILE 194 CO -0.00 0.51 -0.40 -0.09 -1.08 0.00 0.00 178.15 177.08 2ron h ARG 195 N 0.75 -1.02 -0.27 2.19 9.65 -0.93 -1.69 114.38 123.06 2ron h ARG 195 Ca 0.07 0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 2ron h ARG 195 Cb 0.93 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2ron h ARG 195 CO 0.09 -0.68 -0.06 -0.44 2.80 0.00 0.00 179.97 181.68 2ron h ASP 196 N -1.06 0.40 0.00 -3.80 5.19 -1.59 0.54 116.42 116.10 2ron h ASP 196 Ca -0.10 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2ron h ASP 196 Cb 0.83 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2ron h ASP 196 CO 0.13 0.51 0.00 0.00 -3.12 0.00 0.00 179.24 176.76 2ron n ALA 197 N -2.48 -0.42 1.05 3.45 0.00 -0.25 -0.05 120.51 121.80 2ron n ALA 197 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 2ron n ALA 197 Cb 0.26 0.06 0.59 0.00 0.00 0.00 0.00 19.45 20.36 2ron n ALA 197 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ron n GLU 198 N -2.05 0.20 0.04 0.00 1.02 -0.66 -1.94 120.64 117.25 2ron n GLU 198 Ca 0.00 0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 57.03 2ron n GLU 198 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.78 2ron n GLU 198 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2ron h GLY 199 N 4.22 0.25 0.72 0.62 0.00 0.24 -3.37 103.07 105.75 2ron h GLY 199 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 2ron h GLY 199 CO 0.00 0.56 -1.48 1.87 0.00 0.00 0.00 176.54 177.48 2ron n TRP 200 N -3.40 0.71 0.15 5.60 -0.00 0.92 -3.97 117.44 117.47 2ron n TRP 200 Ca -0.20 0.23 0.18 0.00 -0.00 0.00 0.00 57.50 57.70 2ron n TRP 200 Cb 1.05 -0.93 0.78 0.00 -0.00 0.00 0.00 31.31 32.20 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 0.00 0.00 5.87 5.09 -1.55 0.19 116.57 126.17 2ron h LYS 201 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.62 2ron h LYS 201 Cb 1.36 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.69 2ron h LYS 201 CO 0.02 0.00 -1.21 0.36 -2.09 0.00 0.00 179.45 176.53 2ron n LYS 202 N -3.94 0.31 -2.07 0.07 2.85 -1.26 -4.93 118.16 109.20 2ron n LYS 202 Ca 0.04 -0.04 -0.14 0.00 -1.05 0.00 0.00 58.31 57.11 2ron n LYS 202 Cb 0.40 -1.57 -0.03 0.00 -0.65 0.00 0.00 35.03 33.19 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 -1.95 -0.95 -3.80 5.58 7.02 0.67 -2.53 117.44 121.48 2ron n TRP 203 Ca 0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.13 2ron n TRP 203 Cb 0.44 -2.94 -0.11 0.00 -2.42 0.00 0.00 31.31 26.28 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 -2.54 3.31 -0.25 6.99 0.00 -1.26 -4.46 121.76 123.55 2ron s ALA 204 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 2ron s ALA 204 Cb 0.00 -2.11 0.08 0.00 0.00 0.00 0.00 23.12 21.08 2ron s ALA 204 CO 0.00 -0.29 0.05 0.15 0.00 0.00 0.00 175.76 175.67 2ron s LYS 205 N 1.25 0.82 1.00 0.00 1.02 -1.13 -4.92 119.74 117.78 2ron s LYS 205 Ca 0.05 -0.77 -0.15 0.00 0.02 0.00 0.00 55.97 55.12 2ron s LYS 205 Cb -0.14 -2.12 0.03 0.00 -0.52 0.00 0.00 37.83 35.07 2ron s LYS 205 CO 0.04 -0.78 0.12 -0.25 -0.92 0.00 0.00 175.35 173.56 2ron n ASP 206 N 4.91 -2.58 0.06 2.83 8.00 -1.26 -4.61 116.55 123.91 2ron n ASP 206 Ca -0.07 0.19 0.21 0.00 0.71 0.00 0.00 54.79 55.83 2ron n ASP 206 Cb 0.45 -1.07 0.72 0.00 -0.02 0.00 0.00 41.12 41.19 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2ron h ILE 207 N -1.62 0.34 -2.53 0.53 6.09 -1.54 -3.28 117.51 115.49 2ron h ILE 207 Ca -0.46 0.00 -0.54 0.00 -1.37 0.00 0.00 64.86 62.49 2ron h ILE 207 Cb 1.31 0.59 -0.38 0.00 0.47 0.00 0.00 36.82 38.80 2ron h ILE 207 CO 0.34 0.00 -0.81 -0.89 -3.07 0.00 0.00 178.15 173.72 2ron s THR 208 N -4.60 0.02 -0.07 2.19 2.01 -1.24 -5.06 115.64 108.89 2ron s THR 208 Ca -0.04 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.58 2ron s THR 208 Cb 0.15 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 2ron s THR 208 CO 0.54 -0.88 -0.15 0.72 -0.69 0.00 0.00 174.62 174.17 2ron s PHE 209 N 1.35 2.71 -0.25 4.92 -0.71 -1.24 -2.16 117.98 122.60 2ron s PHE 209 Ca 0.16 -0.28 -0.03 0.00 -1.04 0.00 0.00 56.93 55.74 2ron s PHE 209 Cb -0.21 -1.67 0.14 0.00 -1.21 0.00 0.00 43.02 40.08 2ron s PHE 209 CO -0.08 0.09 0.42 -1.58 -1.34 0.00 0.00 175.22 172.74 2ron s HIS 210 N -0.49 -0.97 -0.01 3.49 2.46 -1.24 -5.04 115.29 113.49 2ron s HIS 210 Ca 0.06 1.06 -0.12 0.00 0.47 0.00 0.00 55.06 56.54 2ron s HIS 210 Cb -0.12 0.15 -0.05 0.00 -0.13 0.00 0.00 32.58 32.43 2ron s HIS 210 CO 0.02 -0.73 0.34 -0.65 -2.47 0.00 0.00 174.74 171.25 2ron s GLN 211 N 2.61 3.77 -0.19 2.88 -0.21 -1.26 -1.97 119.66 125.29 2ron s GLN 211 Ca 0.13 0.23 -0.02 0.00 0.02 0.00 0.00 55.36 55.71 2ron s GLN 211 Cb -0.15 -3.17 0.06 0.00 1.00 0.00 0.00 33.01 30.75 2ron s GLN 211 CO -0.17 0.69 0.02 0.12 -2.12 0.00 0.00 175.29 173.83 2ron s PHE 212 N -1.13 1.26 0.07 0.91 2.19 -0.57 -4.98 117.98 115.73 2ron s PHE 212 Ca 0.23 -0.99 0.05 0.00 0.33 0.00 0.00 56.93 56.55 2ron s PHE 212 Cb -0.15 -1.12 -0.04 0.00 -1.31 0.00 0.00 43.02 40.40 2ron s PHE 212 CO 0.12 -0.63 -0.02 0.16 1.83 0.00 0.00 175.22 176.69 2ron s ASP 213 N 1.78 4.94 -0.01 6.13 -4.77 -1.26 -1.36 116.67 122.11 2ron s ASP 213 Ca -0.01 -0.18 -0.01 0.00 -3.30 0.00 0.00 52.55 49.05 2ron s ASP 213 Cb -0.17 -1.16 -0.00 0.00 -1.09 0.00 0.00 42.92 40.49 2ron s ASP 213 CO -0.08 0.20 -0.01 1.23 0.70 0.00 0.00 175.17 177.21 2ron h GLY 214 N 3.65 0.00 0.00 2.12 0.00 -1.48 -3.46 103.07 103.90 2ron h GLY 214 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2ron h GLY 214 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 2ron n GLY 215 N 1.82 0.78 0.27 4.60 0.00 -1.16 -4.94 105.19 106.56 2ron n GLY 215 Ca -0.01 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 -0.51 1.61 8.25 0.56 -4.07 115.22 121.06 2ron n HIS 216 Ca 0.00 -0.49 -0.29 0.00 -0.26 0.00 0.00 57.72 56.68 2ron n HIS 216 Cb 0.00 -0.10 0.24 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.70 -2.37 0.00 -0.41 0.00 -1.25 -4.33 117.12 108.07 2ron n MET 217 Ca 0.08 -0.67 0.22 0.00 0.00 0.00 0.00 57.70 57.33 2ron n MET 217 Cb 0.66 -2.04 0.72 0.00 0.00 0.00 0.00 33.22 32.56 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 -2.58 0.00 0.00 1.12 3.57 -1.91 0.55 116.94 117.69 2ron h PHE 218 Ca -0.61 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 60.60 2ron h PHE 218 Cb 1.34 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 2ron h PHE 218 CO 0.23 0.00 -1.97 -0.11 -2.23 0.00 0.00 178.31 174.23 2ron n LEU 219 N -4.12 1.37 -0.17 0.59 0.00 -1.26 -4.16 117.00 109.26 2ron n LEU 219 Ca 0.10 0.19 0.25 0.00 0.00 0.00 0.00 56.01 56.55 2ron n LEU 219 Cb 0.67 -0.52 0.67 0.00 0.00 0.00 0.00 43.42 44.24 2ron n LEU 219 CO 0.34 0.40 1.24 -0.07 0.00 0.00 0.00 177.39 179.30 2ron h LEU 220 N -0.57 0.10 -0.01 -1.96 3.38 -1.85 0.31 115.31 114.71 2ron h LEU 220 Ca -0.44 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.30 2ron h LEU 220 Cb 1.40 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2ron h LEU 220 CO -0.25 0.04 -1.09 -1.28 0.09 0.00 0.00 178.44 175.95 2ron h SER 221 N 0.10 0.31 0.80 -0.43 0.87 -1.03 -3.26 113.55 110.92 2ron h SER 221 Ca 0.41 -0.31 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 2ron h SER 221 Cb 1.47 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 2ron h SER 221 CO -0.05 1.20 -0.69 -0.61 -0.53 0.00 0.00 176.83 176.15 2ron h GLN 222 N 0.08 0.00 -4.11 2.24 -0.00 -0.68 -3.39 115.11 109.24 2ron h GLN 222 Ca -0.08 0.00 -0.74 0.00 -0.00 0.00 0.00 58.65 57.83 2ron h GLN 222 Cb 1.80 0.00 -0.29 0.00 0.00 0.00 0.00 27.48 28.99 2ron h GLN 222 CO 0.17 0.69 -0.28 0.99 0.00 0.00 0.00 178.83 180.40 2ron s THR 223 N -3.33 4.55 0.29 2.39 2.01 0.32 -4.91 115.64 116.96 2ron s THR 223 Ca -0.00 -1.98 0.24 0.00 0.31 0.00 0.00 61.69 60.26 2ron s THR 223 Cb 0.11 -3.94 0.23 0.00 0.01 0.00 0.00 72.50 68.92 2ron s THR 223 CO 0.77 -0.84 1.93 1.05 -0.69 0.00 0.00 174.62 176.83 2ron h GLU 224 N 8.27 0.00 0.32 4.92 4.11 -1.78 -3.12 114.58 127.30 2ron h GLU 224 Ca -0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 2ron h GLU 224 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2ron h GLU 224 CO 0.86 0.21 -0.19 1.49 0.07 0.00 0.00 179.01 181.45 2ron h GLU 225 N 0.00 -0.46 -0.82 1.06 4.57 -1.91 -1.96 114.58 115.06 2ron h GLU 225 Ca -0.00 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.37 2ron h GLU 225 Cb 0.57 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 29.16 2ron h GLU 225 CO 0.03 -0.31 0.35 -0.39 -1.18 0.00 0.00 179.01 177.52 2ron h VAL 226 N -0.48 0.63 -0.05 0.32 -1.51 -1.92 -1.22 116.25 112.03 2ron h VAL 226 Ca -0.04 -0.16 0.03 0.00 -1.23 0.00 0.00 66.70 65.30 2ron h VAL 226 Cb 0.38 0.11 -0.06 0.00 -2.13 0.00 0.00 31.29 29.59 2ron h VAL 226 CO 0.05 0.09 -0.43 0.00 -1.23 0.00 0.00 177.57 176.04 2ron h ALA 227 N 1.59 -0.67 -0.17 5.19 0.00 -1.47 -0.47 119.26 123.27 2ron h ALA 227 Ca 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2ron h ALA 227 Cb 0.74 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2ron h ALA 227 CO -0.43 -0.96 0.08 1.49 0.00 0.00 0.00 179.25 179.43 2ron h GLU 228 N -0.56 0.23 0.28 0.00 4.57 -0.60 -2.09 114.58 116.41 2ron h GLU 228 Ca 0.05 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2ron h GLU 228 Cb 0.65 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 2ron h GLU 228 CO -0.35 0.19 -0.21 -0.09 -1.18 0.00 0.00 179.01 177.37 2ron h ARG 229 N 0.24 -0.48 0.50 1.92 2.43 0.04 0.25 114.38 119.28 2ron h ARG 229 Ca 0.06 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2ron h ARG 229 Cb 0.03 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2ron h ARG 229 CO -0.01 -0.32 -0.24 0.82 -1.51 0.00 0.00 179.97 178.71 2ron h ILE 230 N -0.50 0.44 -0.65 1.20 5.03 -1.04 -2.68 117.51 119.31 2ron h ILE 230 Ca -0.02 -0.31 0.13 0.00 -0.12 0.00 0.00 64.86 64.53 2ron h ILE 230 Cb 0.44 0.57 -0.09 0.00 -3.03 0.00 0.00 36.82 34.70 2ron h ILE 230 CO -0.00 0.05 0.14 0.15 -0.68 0.00 0.00 178.15 177.80 2ron h PHE 231 N -0.88 0.21 0.06 1.37 3.04 -1.38 0.94 116.94 120.29 2ron h PHE 231 Ca -0.07 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2ron h PHE 231 Cb 0.60 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 2ron h PHE 231 CO -0.00 -0.05 -0.11 0.00 -2.02 0.00 0.00 178.31 176.12 2ron h ALA 232 N 1.53 -0.72 -0.52 2.41 0.00 -0.45 -1.28 119.26 120.22 2ron h ALA 232 Ca 0.35 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.38 2ron h ALA 232 Cb 0.55 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2ron h ALA 232 CO -0.45 -0.74 0.42 0.97 0.00 0.00 0.00 179.25 179.45 2ron h ILE 233 N -0.18 0.60 -0.31 0.00 6.09 -1.23 0.33 117.51 122.81 2ron h ILE 233 Ca -0.01 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.47 2ron h ILE 233 Cb 0.17 0.70 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 2ron h ILE 233 CO -0.04 0.00 0.15 0.25 -3.07 0.00 0.00 178.15 175.44 2ron h LEU 234 N 0.00 0.41 0.00 2.19 6.46 0.10 0.28 115.31 124.75 2ron h LEU 234 Ca 0.25 -0.12 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 2ron h LEU 234 Cb 1.08 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 2ron h LEU 234 CO -0.00 0.41 -0.89 -0.55 -0.62 0.00 0.00 178.44 176.79 2ron h ASN 235 N 0.37 0.00 0.20 1.25 7.08 -0.05 -3.25 115.58 121.18 2ron h ASN 235 Ca 0.11 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.33 2ron h ASN 235 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 2ron h ASN 235 CO -0.01 0.43 -0.11 0.00 -2.08 0.00 0.00 177.43 175.65 2ron n GLN 236 N -3.01 1.00 0.07 4.14 6.02 0.10 -4.24 117.38 121.46 2ron n GLN 236 Ca -0.03 -0.46 -0.15 0.00 -0.01 0.00 0.00 57.00 56.35 2ron n GLN 236 Cb 0.74 -1.49 -0.08 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 1.13 -1.37 -0.08 1.08 -0.00 -0.47 -3.06 115.15 112.38 2ron h HIS 237 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 2ron h HIS 237 Cb 0.40 0.60 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 2ron h HIS 237 CO 0.00 -0.54 -0.08 -1.00 -0.00 0.00 0.00 177.93 176.31 2ron h PRO 238 N -0.64 0.20 -2.59 5.26 0.13 -1.83 -3.46 132.00 129.07 2ron h PRO 238 Ca 0.03 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 2ron h PRO 238 Cb 0.70 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.58 2ron h PRO 238 CO -0.33 0.63 -0.22 0.96 -0.23 0.00 0.00 178.00 178.81 2ron s ILE 239 N -4.29 -0.01 0.17 -3.56 -4.36 -1.16 -5.14 121.20 102.84 2ron s ILE 239 Ca -0.15 0.04 -0.30 0.00 -0.26 0.00 0.00 60.65 59.98 2ron s ILE 239 Cb 0.04 -0.65 -0.08 0.00 1.25 0.00 0.00 42.46 43.01 2ron s ILE 239 CO 0.72 0.02 1.21 -0.51 0.24 0.00 0.00 174.94 176.62 2ron s ILE 240 N 0.89 3.59 0.28 8.37 2.07 -1.24 -4.22 121.20 130.94 2ron s ILE 240 Ca -0.05 1.30 0.10 0.00 -1.41 0.00 0.00 60.65 60.59 2ron s ILE 240 Cb -0.06 -3.83 -0.05 0.00 0.13 0.00 0.00 42.46 38.66 2ron s ILE 240 CO -0.07 0.19 -0.05 -1.10 -1.91 0.00 0.00 174.94 172.00 2ron s GLN 241 N 0.01 2.14 0.00 3.50 -1.52 -1.26 -5.08 119.66 117.45 2ron s GLN 241 Ca 0.54 -1.52 0.16 0.00 -1.95 0.00 0.00 55.36 52.59 2ron s GLN 241 Cb -0.33 -2.06 0.93 0.00 -0.22 0.00 0.00 33.01 31.34 2ron s GLN 241 CO 0.35 0.34 1.34 -0.35 -0.25 0.00 0.00 175.29 176.72