#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 -0.26 0.36 7.83 0.01 -1.24 -4.67 113.70 115.73 2ron s SER 2 Ca 0.00 0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.73 2ron s SER 2 Cb 0.00 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 2ron s SER 2 CO 0.00 -0.18 0.23 -1.58 0.41 0.00 0.00 173.24 172.12 2ron s GLN 3 N -0.58 2.49 -0.28 12.44 2.00 -0.88 -3.78 119.66 131.07 2ron s GLN 3 Ca 0.03 -1.50 -0.23 0.00 -2.00 0.00 0.00 55.36 51.66 2ron s GLN 3 Cb -0.02 -2.28 0.12 0.00 0.80 0.00 0.00 33.01 31.63 2ron s GLN 3 CO -0.05 0.03 1.01 -0.48 -0.50 0.00 0.00 175.29 175.30 2ron s LEU 4 N -3.94 -0.48 -0.02 3.68 2.34 -1.26 -0.06 118.68 118.94 2ron s LEU 4 Ca 0.41 0.88 0.03 0.00 0.06 0.00 0.00 54.13 55.51 2ron s LEU 4 Cb -0.03 1.88 -0.03 0.00 -0.56 0.00 0.00 46.19 47.45 2ron s LEU 4 CO 0.25 -0.15 -0.11 0.12 -1.06 0.00 0.00 176.35 175.40 2ron s PHE 5 N 0.47 2.79 0.15 3.48 5.36 -0.69 -4.89 117.98 124.65 2ron s PHE 5 Ca 0.01 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2ron s PHE 5 Cb -0.05 -1.62 -0.04 0.00 -0.34 0.00 0.00 43.02 40.97 2ron s PHE 5 CO -0.08 0.29 0.04 0.15 -1.46 0.00 0.00 175.22 174.15 2ron s LYS 6 N -1.06 1.01 -0.35 10.12 3.01 -1.26 -1.19 119.74 130.02 2ron s LYS 6 Ca 0.14 -1.48 -0.01 0.00 -1.01 0.00 0.00 55.97 53.61 2ron s LYS 6 Cb -0.11 0.04 0.19 0.00 -1.01 0.00 0.00 37.83 36.93 2ron s LYS 6 CO 0.03 -0.21 0.83 0.45 0.51 0.00 0.00 175.35 176.96 2ron s SER 7 N -3.10 -0.97 0.56 2.83 0.15 0.46 -4.95 113.70 108.68 2ron s SER 7 Ca 0.24 -0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.47 2ron s SER 7 Cb 0.07 1.31 -0.01 0.00 -1.71 0.00 0.00 66.02 65.68 2ron s SER 7 CO 0.03 -0.12 0.88 0.72 1.20 0.00 0.00 173.24 175.95 2ron s PHE 8 N 2.11 3.39 -0.27 3.44 -0.71 -1.26 -2.02 117.98 122.65 2ron s PHE 8 Ca 0.16 0.77 -0.00 0.00 -1.04 0.00 0.00 56.93 56.82 2ron s PHE 8 Cb -0.02 -2.61 0.16 0.00 -1.21 0.00 0.00 43.02 39.35 2ron s PHE 8 CO -0.14 -0.65 0.46 -0.51 -1.34 0.00 0.00 175.22 173.04 2ron s ASP 9 N -4.23 -0.31 -1.70 1.98 1.01 -1.26 -4.89 116.67 107.26 2ron s ASP 9 Ca 0.52 0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.99 2ron s ASP 9 Cb -0.11 1.46 0.00 0.00 1.01 0.00 0.00 42.92 45.29 2ron s ASP 9 CO 0.46 -0.31 0.00 0.00 0.21 0.00 0.00 175.17 175.54 2ron n ALA 10 N 5.38 -0.24 -3.86 5.23 0.00 -1.26 -3.21 120.51 122.55 2ron n ALA 10 Ca -0.01 0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.30 2ron n ALA 10 Cb 0.51 -1.72 0.03 0.00 0.00 0.00 0.00 19.45 18.27 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -0.66 -4.82 0.00 0.00 3.41 -1.26 -4.93 113.62 105.35 2ron n SER 11 Ca -0.16 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 2ron n SER 11 Cb 0.54 -2.61 0.00 0.00 -0.26 0.00 0.00 64.21 61.88 2ron n SER 11 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ron n GLU 12 N -4.58 0.00 -3.66 4.33 -0.58 -1.20 -4.94 120.64 110.01 2ron n GLU 12 Ca -0.10 0.48 -0.08 0.00 -0.42 0.00 0.00 57.16 57.04 2ron n GLU 12 Cb 0.58 -0.98 -0.08 0.00 -0.57 0.00 0.00 31.44 30.38 2ron n GLU 12 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2ron s LYS 13 N -1.00 0.59 0.12 3.49 -2.85 -1.26 -4.72 119.74 114.11 2ron s LYS 13 Ca 0.00 1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 55.72 2ron s LYS 13 Cb 0.00 0.09 -0.06 0.00 -2.06 0.00 0.00 37.83 35.80 2ron s LYS 13 CO 0.00 -0.15 1.00 0.99 0.10 0.00 0.00 175.35 177.29 2ron s THR 14 N 1.51 4.37 -0.40 3.79 2.01 -1.23 -1.93 115.64 123.75 2ron s THR 14 Ca -0.09 1.96 0.01 0.00 0.31 0.00 0.00 61.69 63.88 2ron s THR 14 Cb -0.06 -4.26 0.12 0.00 0.01 0.00 0.00 72.50 68.32 2ron s THR 14 CO -0.17 0.30 0.19 -1.10 -0.69 0.00 0.00 174.62 173.16 2ron s GLN 15 N -0.02 1.11 -0.10 4.92 -0.21 -0.93 -0.96 119.66 123.47 2ron s GLN 15 Ca 0.48 -1.72 -0.23 0.00 0.02 0.00 0.00 55.36 53.91 2ron s GLN 15 Cb -0.25 -2.23 -0.03 0.00 1.00 0.00 0.00 33.01 31.50 2ron s GLN 15 CO 0.31 -1.11 0.69 -1.17 -2.12 0.00 0.00 175.29 171.89 2ron s LEU 16 N 0.75 4.28 0.35 2.90 0.20 0.28 -2.47 118.68 124.97 2ron s LEU 16 Ca 0.15 1.12 0.02 0.00 0.69 0.00 0.00 54.13 56.11 2ron s LEU 16 Cb -0.22 -3.05 -0.01 0.00 -0.43 0.00 0.00 46.19 42.48 2ron s LEU 16 CO -0.06 -0.16 0.42 0.27 -0.29 0.00 0.00 176.35 176.53 2ron s ILE 17 N 1.07 0.00 -0.30 6.68 -4.36 -0.77 -0.18 121.20 123.34 2ron s ILE 17 Ca 0.36 -1.73 -0.08 0.00 -0.26 0.00 0.00 60.65 58.94 2ron s ILE 17 Cb -0.17 -2.63 0.17 0.00 1.25 0.00 0.00 42.46 41.09 2ron s ILE 17 CO 0.16 0.00 0.79 0.00 0.24 0.00 0.00 174.94 176.13 2ron n PHE 19 N 5.38 -2.26 -0.78 0.00 3.72 -1.26 -4.61 117.46 117.63 2ron n PHE 19 Ca -0.05 0.75 -0.16 0.00 -0.05 0.00 0.00 57.45 57.94 2ron n PHE 19 Cb 0.52 -4.01 0.13 0.00 -0.94 0.00 0.00 39.48 35.18 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 -3.61 -2.15 -3.64 -1.08 -0.04 -1.26 -4.91 135.00 118.31 2ron n PRO 20 Ca -0.10 -0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 62.33 2ron n PRO 20 Cb 0.62 -0.86 -0.07 0.00 -0.04 0.00 0.00 33.50 33.14 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 -2.04 -0.84 0.02 0.54 -0.71 -1.26 -5.08 117.98 108.60 2ron s PHE 21 Ca 0.37 1.87 -0.08 0.00 -1.04 0.00 0.00 56.93 58.06 2ron s PHE 21 Cb -0.04 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.15 2ron s PHE 21 CO 0.29 -0.41 1.12 0.00 -1.34 0.00 0.00 175.22 174.88 2ron h ALA 22 N 5.68 -0.80 -0.55 1.99 0.00 -1.99 -3.41 119.26 120.19 2ron h ALA 22 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ron h ALA 22 Cb 1.19 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2ron h ALA 22 CO 0.10 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 178.95 2ron n GLY 23 N -1.12 2.65 0.00 0.00 0.00 -1.26 -2.31 105.19 103.16 2ron n GLY 23 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.21 -0.02 0.00 -1.26 -4.66 105.19 99.46 2ron n GLY 24 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.15 0.00 1.61 -0.00 -1.88 -0.35 116.97 116.50 2ron h TYR 25 Ca 0.00 -0.03 -0.16 0.00 -0.00 0.00 0.00 58.73 58.55 2ron h TYR 25 Cb 0.49 -0.04 -0.02 0.00 -0.00 0.00 0.00 36.73 37.16 2ron h TYR 25 CO 0.00 0.39 -0.75 1.03 -0.00 0.00 0.00 178.16 178.83 2ron h SER 26 N 0.13 0.00 1.17 0.10 0.87 -1.69 -1.41 113.55 112.72 2ron h SER 26 Ca 0.02 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.44 2ron h SER 26 Cb 0.54 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2ron h SER 26 CO 0.04 0.75 -0.87 0.00 -0.53 0.00 0.00 176.83 176.22 2ron h ALA 27 N 1.25 0.64 0.19 6.23 0.00 -1.57 -2.46 119.26 123.54 2ron h ALA 27 Ca -0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 54.91 53.93 2ron h ALA 27 Cb 1.37 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.22 2ron h ALA 27 CO 0.10 0.78 -1.64 0.66 0.00 0.00 0.00 179.25 179.14 2ron h SER 28 N 0.00 0.63 0.56 0.00 4.64 -1.05 -3.35 113.55 114.98 2ron h SER 28 Ca -0.06 -0.85 -0.21 0.00 -0.47 0.00 0.00 61.79 60.20 2ron h SER 28 Cb 1.49 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2ron h SER 28 CO 0.06 1.70 -0.92 0.15 -0.87 0.00 0.00 176.83 176.96 2ron h PHE 29 N 0.11 0.34 -0.62 4.77 3.04 -1.38 -3.12 116.94 120.09 2ron h PHE 29 Ca -0.30 -0.20 0.07 0.00 3.98 0.00 0.00 57.97 61.52 2ron h PHE 29 Cb 2.10 -0.04 -0.10 0.00 2.56 0.00 0.00 35.95 40.48 2ron h PHE 29 CO 0.10 1.02 -0.54 -0.09 -2.02 0.00 0.00 178.31 176.78 2ron h ARG 30 N 0.12 -0.24 -0.08 1.11 2.43 -1.57 0.27 114.38 116.42 2ron h ARG 30 Ca -0.05 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 2ron h ARG 30 Cb 1.56 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 2ron h ARG 30 CO 0.14 -0.16 -0.47 -1.00 -1.51 0.00 0.00 179.97 176.98 2ron h PRO 31 N -0.25 0.20 0.08 0.20 0.13 -1.72 0.18 132.00 130.81 2ron h PRO 31 Ca 0.12 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ron h PRO 31 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2ron h PRO 31 CO -0.72 0.63 -0.04 1.25 -0.23 0.00 0.00 178.00 178.89 2ron h LEU 32 N 0.16 -0.09 -0.02 1.56 7.12 -1.01 -2.09 115.31 120.94 2ron h LEU 32 Ca 0.01 -0.08 -0.07 0.00 0.13 0.00 0.00 57.88 57.87 2ron h LEU 32 Cb 0.89 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.03 2ron h LEU 32 CO 0.07 0.02 -0.34 1.12 -0.13 0.00 0.00 178.44 179.18 2ron h HIS 33 N -0.19 0.00 -0.08 1.25 2.07 -0.56 -2.74 115.15 114.90 2ron h HIS 33 Ca -0.01 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.44 2ron h HIS 33 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 2ron h HIS 33 CO -0.04 0.34 -0.27 0.00 -3.07 0.00 0.00 177.93 174.89 2ron h ALA 34 N 1.66 1.39 0.00 6.11 0.00 -0.75 0.31 119.26 127.98 2ron h ALA 34 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2ron h ALA 34 Cb 1.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2ron h ALA 34 CO 0.04 0.43 -1.59 0.34 0.00 0.00 0.00 179.25 178.48 2ron n PHE 35 N -4.17 0.68 -0.06 0.00 7.35 -0.80 -4.38 117.46 116.08 2ron n PHE 35 Ca -0.01 0.22 -0.16 0.00 -0.76 0.00 0.00 57.45 56.74 2ron n PHE 35 Cb 0.36 -0.96 -0.13 0.00 0.35 0.00 0.00 39.48 39.10 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 0.04 -9.09 -2.13 5.85 -1.26 -3.49 115.31 105.23 2ron h LEU 36 Ca -0.17 -0.91 -0.50 0.00 0.84 0.00 0.00 57.88 57.14 2ron h LEU 36 Cb 1.49 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.37 2ron h LEU 36 CO 0.03 1.13 -0.50 0.00 -0.34 0.00 0.00 178.44 178.76 2ron s GLN 37 N -2.27 1.82 -0.16 1.25 0.00 0.11 -5.08 119.66 115.33 2ron s GLN 37 Ca -0.20 -2.08 -0.28 0.00 -0.00 0.00 0.00 55.36 52.80 2ron s GLN 37 Cb -0.01 0.02 0.07 0.00 0.00 0.00 0.00 33.01 33.09 2ron s GLN 37 CO 0.69 -0.60 0.71 0.20 0.00 0.00 0.00 175.29 176.28 2ron s GLY 38 N -3.46 -0.55 -1.09 2.60 0.00 -1.26 -4.10 107.32 99.46 2ron s GLY 38 Ca 0.35 1.70 -0.07 0.00 0.00 0.00 0.00 44.72 46.69 2ron s GLY 38 CO 0.23 1.37 0.90 1.18 0.00 0.00 0.00 173.10 176.78 2ron n GLU 39 N 1.81 -2.75 -2.75 2.90 -0.58 -1.26 -5.02 120.64 112.99 2ron n GLU 39 Ca -0.16 0.79 -0.22 0.00 -0.42 0.00 0.00 57.16 57.15 2ron n GLU 39 Cb 0.56 -5.54 0.09 0.00 -0.57 0.00 0.00 31.44 25.97 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ron s GLU 41 N -4.94 4.22 0.01 0.00 2.12 -0.81 -4.47 118.70 114.82 2ron s GLU 41 Ca 0.64 1.21 0.07 0.00 0.36 0.00 0.00 54.97 57.25 2ron s GLU 41 Cb -0.06 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 2ron s GLU 41 CO 0.42 -0.62 -0.21 0.00 -0.54 0.00 0.00 175.26 174.31 2ron s MET 42 N 3.14 2.11 -0.23 4.30 0.23 -0.86 -2.20 119.30 125.79 2ron s MET 42 Ca 0.41 -0.94 -0.27 0.00 -1.03 0.00 0.00 55.69 53.87 2ron s MET 42 Cb -0.15 -2.15 0.10 0.00 -1.53 0.00 0.00 34.83 31.10 2ron s MET 42 CO 0.07 0.56 0.86 -0.48 -2.03 0.00 0.00 175.02 174.00 2ron s LEU 43 N -1.06 -0.58 0.11 0.18 0.05 -1.03 -0.40 118.68 115.94 2ron s LEU 43 Ca 0.12 1.00 0.01 0.00 0.05 0.00 0.00 54.13 55.30 2ron s LEU 43 Cb -0.10 2.19 -0.04 0.00 -2.05 0.00 0.00 46.19 46.18 2ron s LEU 43 CO 0.02 -0.28 -0.02 0.00 -0.55 0.00 0.00 176.35 175.52 2ron s ALA 44 N -0.09 0.91 -0.25 1.48 0.00 -0.34 -1.85 121.76 121.62 2ron s ALA 44 Ca -0.01 -1.39 -0.19 0.00 0.00 0.00 0.00 51.96 50.38 2ron s ALA 44 Cb -0.04 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2ron s ALA 44 CO -0.00 -0.33 0.54 0.00 0.00 0.00 0.00 175.76 175.97 2ron s ALA 45 N -3.79 3.59 0.25 0.00 0.00 0.10 -1.70 121.76 120.21 2ron s ALA 45 Ca 0.15 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.64 2ron s ALA 45 Cb 0.07 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2ron s ALA 45 CO -0.03 -0.70 0.33 -1.21 0.00 0.00 0.00 175.76 174.15 2ron s GLU 46 N 2.24 3.32 0.94 0.00 0.41 0.92 -4.25 118.70 122.27 2ron s GLU 46 Ca 0.23 -0.84 -0.12 0.00 -0.41 0.00 0.00 54.97 53.83 2ron s GLU 46 Cb -0.16 -2.82 0.15 0.00 -1.78 0.00 0.00 34.13 29.53 2ron s GLU 46 CO 0.09 0.40 1.09 -1.25 -0.49 0.00 0.00 175.26 175.10 2ron s PRO 47 N -3.97 0.89 0.11 0.39 0.04 -1.26 -2.08 135.00 129.13 2ron s PRO 47 Ca 0.34 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 61.77 2ron s PRO 47 Cb -0.09 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2ron s PRO 47 CO 0.28 -2.46 1.36 -1.25 0.04 0.00 0.00 177.00 174.98 2ron s PRO 48 N -4.95 4.34 0.00 0.56 0.04 -1.26 -3.60 135.00 130.13 2ron s PRO 48 Ca 0.64 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2ron s PRO 48 Cb -0.18 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2ron s PRO 48 CO 0.57 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2ron n GLY 49 N 3.40 3.27 0.19 0.56 0.00 -1.26 -5.00 105.19 106.37 2ron n GLY 49 Ca 0.11 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2ron n GLY 49 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2ron h HIS 50 N 0.00 0.71 -2.91 1.61 -0.00 -2.03 -3.41 115.15 109.13 2ron h HIS 50 Ca 0.00 -0.18 -0.55 0.00 -0.00 0.00 0.00 60.37 59.64 2ron h HIS 50 Cb 0.00 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.20 2ron h HIS 50 CO 0.00 0.86 1.13 0.20 -0.00 0.00 0.00 177.93 180.12 2ron s GLY 51 N -3.48 0.90 -0.00 5.26 0.00 -1.26 -4.76 107.32 103.98 2ron s GLY 51 Ca -0.13 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2ron s GLY 51 CO 0.80 2.90 0.02 -0.37 0.00 0.00 0.00 173.10 176.45 2ron n THR 52 N 7.05 0.00 -0.65 0.90 5.66 -1.26 -4.50 114.28 121.47 2ron n THR 52 Ca 0.16 -0.43 -0.09 0.00 -3.05 0.00 0.00 64.05 60.64 2ron n THR 52 Cb 0.49 0.94 0.21 0.00 -1.55 0.00 0.00 70.33 70.42 2ron n THR 52 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ron n ASN 53 N -1.08 4.05 -3.71 1.09 4.13 -1.26 -3.95 115.26 114.53 2ron n ASN 53 Ca 0.00 -3.05 -0.12 0.00 1.68 0.00 0.00 54.58 53.09 2ron n ASN 53 Cb 0.01 -0.72 -0.10 0.00 -1.54 0.00 0.00 39.78 37.43 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ron s GLN 54 N -2.51 0.47 -0.13 3.52 0.00 -1.26 -4.98 119.66 114.77 2ron s GLN 54 Ca 0.44 0.68 0.01 0.00 -0.00 0.00 0.00 55.36 56.49 2ron s GLN 54 Cb 0.36 0.15 -0.00 0.00 0.00 0.00 0.00 33.01 33.51 2ron s GLN 54 CO 0.10 -0.10 -0.18 0.95 0.00 0.00 0.00 175.29 176.07 2ron s THR 55 N 0.67 2.55 0.06 3.63 -4.23 -1.26 -0.15 115.64 116.90 2ron s THR 55 Ca -0.04 -0.83 -0.24 0.00 -1.18 0.00 0.00 61.69 59.41 2ron s THR 55 Cb -0.05 -2.04 -0.11 0.00 1.34 0.00 0.00 72.50 71.63 2ron s THR 55 CO -0.04 0.53 1.37 0.77 -0.54 0.00 0.00 174.62 176.71 2ron h SER 56 N 6.92 -0.94 -3.73 3.99 4.64 -1.93 -3.46 113.55 119.04 2ron h SER 56 Ca -0.26 0.08 -0.28 0.00 -0.47 0.00 0.00 61.79 60.86 2ron h SER 56 Cb 1.21 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 2ron h SER 56 CO 0.53 -0.44 -0.36 0.00 -0.87 0.00 0.00 176.83 175.70 2ron n ALA 57 N -2.64 -0.76 -3.67 5.18 0.00 -1.26 -2.01 120.51 115.35 2ron n ALA 57 Ca -0.08 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2ron n ALA 57 Cb 0.30 -1.66 0.04 0.00 0.00 0.00 0.00 19.45 18.14 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 -3.51 -5.76 0.11 0.00 2.08 -1.26 -4.90 119.36 106.13 2ron n ILE 58 Ca -0.16 -0.91 0.05 0.00 0.56 0.00 0.00 62.75 62.29 2ron n ILE 58 Cb 0.62 -4.32 0.10 0.00 -0.75 0.00 0.00 39.64 35.29 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ron n GLU 59 N -4.13 1.79 0.16 0.38 1.02 -0.85 -4.57 120.64 114.44 2ron n GLU 59 Ca -0.13 -1.62 0.18 0.00 -0.02 0.00 0.00 57.16 55.57 2ron n GLU 59 Cb 0.61 -1.23 0.80 0.00 -0.02 0.00 0.00 31.44 31.59 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 2.00 0.00 0.00 1.62 3.04 -1.90 0.29 116.42 121.47 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 0.59 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 2ron h ASP 60 CO 0.00 0.00 0.00 0.18 -2.04 0.00 0.00 179.24 177.38 2ron n LEU 61 N -3.76 0.00 -0.09 0.15 7.99 -1.26 -1.02 117.00 119.01 2ron n LEU 61 Ca 0.04 0.71 -0.00 0.00 -0.01 0.00 0.00 56.01 56.74 2ron n LEU 61 Cb 0.44 -0.21 0.27 0.00 -0.11 0.00 0.00 43.42 43.82 2ron n LEU 61 CO 0.27 -0.21 1.06 1.05 -1.51 0.00 0.00 177.39 178.05 2ron h GLU 62 N 0.00 0.74 0.00 3.23 9.09 -1.90 -2.14 114.58 123.60 2ron h GLU 62 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.30 2ron h GLU 62 Cb 0.00 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 26.97 2ron h GLU 62 CO 0.00 0.61 0.00 -1.91 0.05 0.00 0.00 179.01 177.76 2ron n GLU 63 N -4.34 0.00 -0.27 1.06 4.07 0.08 -1.94 120.64 119.29 2ron n GLU 63 Ca 0.04 0.60 0.07 0.00 -0.06 0.00 0.00 57.16 57.81 2ron n GLU 63 Cb 0.16 -1.50 0.22 0.00 -0.06 0.00 0.00 31.44 30.26 2ron n GLU 63 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ron h LEU 64 N 0.00 0.28 -0.35 4.31 3.38 -1.10 0.38 115.31 122.22 2ron h LEU 64 Ca 0.00 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2ron h LEU 64 Cb 0.00 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2ron h LEU 64 CO 0.00 0.08 -0.49 0.74 0.09 0.00 0.00 178.44 178.85 2ron h THR 65 N 0.43 0.00 0.00 0.22 2.02 -1.24 -0.20 112.91 114.14 2ron h THR 65 Ca 0.45 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.56 2ron h THR 65 Cb 0.73 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2ron h THR 65 CO -0.44 0.00 -0.36 -0.78 0.37 0.00 0.00 175.52 174.31 2ron h ASP 66 N -0.36 0.00 -0.96 4.18 1.82 -0.80 0.33 116.42 120.63 2ron h ASP 66 Ca 0.06 0.00 0.15 0.00 -0.39 0.00 0.00 57.03 56.86 2ron h ASP 66 Cb 0.53 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 40.45 2ron h ASP 66 CO -0.52 0.36 0.57 0.25 -1.61 0.00 0.00 179.24 178.29 2ron h LEU 67 N 0.00 0.76 0.00 2.28 7.12 0.16 0.34 115.31 125.97 2ron h LEU 67 Ca -0.00 0.08 -0.19 0.00 0.13 0.00 0.00 57.88 57.89 2ron h LEU 67 Cb 0.92 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.96 2ron h LEU 67 CO 0.05 0.33 -1.73 -1.22 -0.13 0.00 0.00 178.44 175.74 2ron n TYR 68 N -4.75 0.00 -0.18 1.25 4.01 -0.81 -4.54 117.16 112.14 2ron n TYR 68 Ca 0.20 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.89 2ron n TYR 68 Cb 0.46 -0.50 0.16 0.00 -0.31 0.00 0.00 39.34 39.15 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 -2.77 2.42 -0.15 -0.72 5.02 0.12 -4.55 118.16 117.53 2ron n LYS 69 Ca -0.22 -1.75 -0.07 0.00 -2.02 0.00 0.00 58.31 54.25 2ron n LYS 69 Cb 0.76 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2ron h GLN 70 N 1.37 -0.23 0.06 1.97 4.15 -0.45 -2.82 115.11 119.16 2ron h GLN 70 Ca 0.19 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 2ron h GLN 70 Cb 1.73 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.47 2ron h GLN 70 CO 0.47 -0.16 -0.09 1.49 -1.93 0.00 0.00 178.83 178.61 2ron h GLU 71 N -0.24 -0.16 -4.48 1.69 4.81 -1.84 -3.36 114.58 111.00 2ron h GLU 71 Ca 0.18 0.01 -0.72 0.00 -0.13 0.00 0.00 59.36 58.70 2ron h GLU 71 Cb 0.55 0.04 -0.21 0.00 0.63 0.00 0.00 28.75 29.76 2ron h GLU 71 CO -0.60 -0.10 -0.03 -0.51 -0.73 0.00 0.00 179.01 177.04 2ron s LEU 72 N -5.65 5.64 -0.80 1.64 1.43 -1.07 -5.00 118.68 114.88 2ron s LEU 72 Ca -0.03 -1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 51.30 2ron s LEU 72 Cb 0.01 -2.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 2ron s LEU 72 CO 0.11 -0.99 2.12 0.20 0.23 0.00 0.00 176.35 178.02 2ron s ASN 73 N 3.49 4.70 0.73 2.29 0.01 -1.18 -4.75 114.94 120.23 2ron s ASN 73 Ca 0.08 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 52.04 2ron s ASN 73 Cb -0.26 -2.55 0.13 0.00 0.41 0.00 0.00 41.25 38.99 2ron s ASN 73 CO 0.06 -3.08 1.00 -0.76 -1.51 0.00 0.00 177.10 172.81 2ron s LEU 74 N 11.65 2.96 0.52 0.60 1.43 -1.26 -5.09 118.68 129.49 2ron s LEU 74 Ca 0.79 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 2ron s LEU 74 Cb -0.10 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 2ron s LEU 74 CO 0.07 -1.90 0.89 -0.13 0.23 0.00 0.00 176.35 175.51 2ron s ARG 75 N -5.15 3.64 0.00 1.70 1.81 -1.26 -5.00 118.95 114.68 2ron s ARG 75 Ca 0.67 0.51 0.00 0.00 -1.72 0.00 0.00 55.73 55.18 2ron s ARG 75 Cb -0.05 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.20 2ron s ARG 75 CO 0.45 -0.31 0.00 -0.35 -0.68 0.00 0.00 175.30 174.40 2ron n PRO 76 N -2.22 -0.46 -3.49 3.54 -0.04 -1.26 -5.03 135.00 126.04 2ron n PRO 76 Ca 0.03 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.13 2ron n PRO 76 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.95 2ron n PRO 76 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ron s ASP 77 N -1.51 6.75 -0.02 3.54 -4.77 -1.26 -5.03 116.67 114.37 2ron s ASP 77 Ca 0.00 0.93 -0.17 0.00 -3.30 0.00 0.00 52.55 50.02 2ron s ASP 77 Cb 0.00 -2.23 -0.09 0.00 -1.09 0.00 0.00 42.92 39.50 2ron s ASP 77 CO 0.00 0.20 0.72 0.03 0.70 0.00 0.00 175.17 176.83 2ron h ARG 78 N 3.98 -0.58 -7.22 2.11 3.08 -1.90 -3.46 114.38 110.39 2ron h ARG 78 Ca -0.50 0.04 -0.51 0.00 0.07 0.00 0.00 59.98 59.08 2ron h ARG 78 Cb 1.20 0.13 0.11 0.00 0.08 0.00 0.00 29.97 31.49 2ron h ARG 78 CO 0.65 -0.39 0.36 -1.25 -1.07 0.00 0.00 179.97 178.27 2ron s PRO 79 N -3.53 2.68 -0.28 0.04 0.04 -1.26 -4.49 135.00 128.20 2ron s PRO 79 Ca -0.09 1.34 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 2ron s PRO 79 Cb 0.01 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.73 2ron s PRO 79 CO 0.26 -1.34 0.96 0.12 0.04 0.00 0.00 177.00 177.05 2ron s PHE 80 N -2.46 -0.57 -0.06 0.56 5.36 -0.73 -3.56 117.98 116.52 2ron s PHE 80 Ca 0.66 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 2ron s PHE 80 Cb -0.20 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 42.88 2ron s PHE 80 CO 0.45 -0.28 -0.03 0.14 -1.46 0.00 0.00 175.22 174.03 2ron s VAL 81 N 0.63 0.53 -0.17 3.12 -7.23 -0.13 -3.76 120.40 113.39 2ron s VAL 81 Ca -0.01 -0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.06 2ron s VAL 81 Cb -0.05 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.29 2ron s VAL 81 CO -0.09 0.24 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.66 2ron s LEU 82 N 1.25 2.96 -0.28 1.32 2.96 -1.23 -0.55 118.68 125.12 2ron s LEU 82 Ca -0.06 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2ron s LEU 82 Cb -0.14 -1.71 0.08 0.00 0.50 0.00 0.00 46.19 44.92 2ron s LEU 82 CO -0.02 0.11 0.02 -0.36 -1.32 0.00 0.00 176.35 174.78 2ron s PHE 83 N 0.72 2.38 0.00 5.38 0.08 0.75 -4.06 117.98 123.24 2ron s PHE 83 Ca -0.03 -1.95 0.00 0.00 0.12 0.00 0.00 56.93 55.07 2ron s PHE 83 Cb -0.15 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 2ron s PHE 83 CO 0.02 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.72 2ron n GLY 84 N 4.66 2.67 3.67 4.36 0.00 -1.26 -2.72 105.19 116.57 2ron n GLY 84 Ca -0.05 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 2ron n GLY 84 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ron s HIS 85 N 4.63 1.80 -0.39 1.61 -3.43 -1.26 -4.83 115.29 113.41 2ron s HIS 85 Ca 0.00 -1.12 0.06 0.00 -0.80 0.00 0.00 55.06 53.20 2ron s HIS 85 Cb 0.00 -1.41 0.52 0.00 -1.43 0.00 0.00 32.58 30.25 2ron s HIS 85 CO 0.00 -0.01 1.50 0.43 -2.00 0.00 0.00 174.74 174.66 2ron n SER 86 N -1.34 3.91 -0.05 7.38 7.64 -1.26 -4.20 113.62 125.69 2ron n SER 86 Ca -0.15 -2.88 -0.05 0.00 1.01 0.00 0.00 58.87 56.80 2ron n SER 86 Cb 0.66 -0.68 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.11 0.32 0.00 1.43 2.81 -1.26 -5.09 117.12 115.22 2ron n MET 87 Ca 0.30 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 2ron n MET 87 Cb 1.11 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 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 1.49 1.22 0.00 3.03 0.00 -1.26 -5.11 105.19 104.55 2ron n GLY 88 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.64 -1.78 0.19 -0.02 0.00 -1.26 -4.84 105.19 96.84 2ron n GLY 89 Ca 0.00 0.71 -0.13 0.00 0.00 0.00 0.00 46.02 46.60 2ron n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ron h MET 90 N 0.00 0.61 -0.16 1.61 -0.00 -1.97 -2.45 114.93 112.57 2ron h MET 90 Ca 0.00 -0.32 -0.17 0.00 -0.00 0.00 0.00 59.70 59.22 2ron h MET 90 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.60 2ron h MET 90 CO 0.00 0.91 -0.60 -0.84 -0.00 0.00 0.00 176.91 176.39 2ron h ILE 91 N 0.32 1.33 0.73 -0.10 3.07 -1.96 -1.34 117.51 119.56 2ron h ILE 91 Ca 0.04 -1.88 -0.04 0.00 1.55 0.00 0.00 64.86 64.54 2ron h ILE 91 Cb 0.80 1.85 0.01 0.00 -0.27 0.00 0.00 36.82 39.21 2ron h ILE 91 CO 0.06 0.58 -0.35 0.71 -1.05 0.00 0.00 178.15 178.10 2ron h THR 92 N 0.40 0.26 -0.49 0.16 1.35 -1.95 -2.55 112.91 110.08 2ron h THR 92 Ca -0.00 -0.07 -0.04 0.00 -0.55 0.00 0.00 66.41 65.74 2ron h THR 92 Cb 1.15 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 2ron h THR 92 CO 0.11 0.01 0.14 0.15 -0.25 0.00 0.00 175.52 175.68 2ron h PHE 93 N -1.03 0.80 -0.73 4.73 3.04 -1.52 -2.10 116.94 120.13 2ron h PHE 93 Ca -0.10 -0.09 0.16 0.00 3.98 0.00 0.00 57.97 61.92 2ron h PHE 93 Cb 0.76 -0.23 -0.13 0.00 2.56 0.00 0.00 35.95 38.91 2ron h PHE 93 CO -0.01 0.71 -0.04 -0.09 -2.02 0.00 0.00 178.31 176.86 2ron h ARG 94 N 0.66 0.07 -0.20 1.11 2.43 -1.21 0.43 114.38 117.69 2ron h ARG 94 Ca 0.16 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 2ron h ARG 94 Cb 0.30 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2ron h ARG 94 CO -0.00 0.05 -0.61 -0.07 -1.51 0.00 0.00 179.97 177.83 2ron h LEU 95 N 0.08 0.76 0.32 3.80 4.07 -1.31 -2.16 115.31 120.86 2ron h LEU 95 Ca 0.39 -0.43 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 2ron h LEU 95 Cb 0.66 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.19 2ron h LEU 95 CO -0.67 1.19 -0.16 0.00 -1.08 0.00 0.00 178.44 177.72 2ron h ALA 96 N 0.82 -0.97 -0.67 1.53 0.00 -0.10 -1.94 119.26 117.93 2ron h ALA 96 Ca -0.00 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.93 2ron h ALA 96 Cb 1.19 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 2ron h ALA 96 CO 0.12 -0.94 0.23 0.37 0.00 0.00 0.00 179.25 179.04 2ron h GLN 97 N -0.49 0.37 0.08 0.00 4.15 -0.40 -0.63 115.11 118.19 2ron h GLN 97 Ca -0.04 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.36 2ron h GLN 97 Cb 0.33 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 2ron h GLN 97 CO 0.07 0.25 -0.37 -0.22 -1.93 0.00 0.00 178.83 176.62 2ron h LYS 98 N 0.38 -0.51 -0.31 1.69 1.63 -1.41 -0.31 116.57 117.74 2ron h LYS 98 Ca 0.36 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 60.28 2ron h LYS 98 Cb 0.51 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2ron h LYS 98 CO -0.38 -0.34 0.24 1.25 -3.45 0.00 0.00 179.45 176.78 2ron h LEU 99 N -0.53 0.00 0.13 5.20 7.12 -0.99 0.24 115.31 126.49 2ron h LEU 99 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2ron h LEU 99 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 2ron h LEU 99 CO -0.21 0.00 -0.06 -0.08 -0.13 0.00 0.00 178.44 177.96 2ron h GLU 100 N 0.00 -0.17 -0.51 1.25 4.81 0.46 0.32 114.58 120.75 2ron h GLU 100 Ca 0.14 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2ron h GLU 100 Cb 0.63 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2ron h GLU 100 CO -0.00 -0.11 0.27 0.07 -0.73 0.00 0.00 179.01 178.51 2ron h ARG 101 N -0.21 0.72 -0.96 1.92 0.11 -0.97 -0.80 114.38 114.19 2ron h ARG 101 Ca -0.02 -0.09 0.06 0.00 0.10 0.00 0.00 59.98 60.03 2ron h ARG 101 Cb 0.13 -0.14 -0.06 0.00 1.11 0.00 0.00 29.97 31.01 2ron h ARG 101 CO 0.03 0.58 0.63 0.93 0.10 0.00 0.00 179.97 182.23 2ron h GLU 102 N 0.69 1.10 -0.12 0.08 4.39 -0.62 -2.35 114.58 117.76 2ron h GLU 102 Ca 0.18 -0.07 -0.21 0.00 0.34 0.00 0.00 59.36 59.60 2ron h GLU 102 Cb 0.07 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2ron h GLU 102 CO -0.03 0.73 -0.79 0.78 -1.16 0.00 0.00 179.01 178.54 2ron h GLY 103 N 1.13 0.72 -5.54 -3.84 0.00 -0.51 -3.46 103.07 91.58 2ron h GLY 103 Ca 0.41 -1.04 0.17 0.00 0.00 0.00 0.00 47.33 46.87 2ron h GLY 103 CO -0.15 0.93 0.24 -1.50 0.00 0.00 0.00 176.54 176.05 2ron s ILE 104 N -3.66 -0.46 -0.00 2.60 1.10 -0.34 -4.92 121.20 115.51 2ron s ILE 104 Ca -0.09 0.00 -0.24 0.00 -0.51 0.00 0.00 60.65 59.81 2ron s ILE 104 Cb 0.09 -1.00 -0.16 0.00 0.15 0.00 0.00 42.46 41.54 2ron s ILE 104 CO 0.88 0.00 1.16 0.15 -2.11 0.00 0.00 174.94 175.02 2ron h PHE 105 N 7.39 -0.36 -1.54 3.50 3.04 -1.77 -3.38 116.94 123.82 2ron h PHE 105 Ca -0.16 -0.01 -0.43 0.00 3.98 0.00 0.00 57.97 61.35 2ron h PHE 105 Cb 1.12 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.71 2ron h PHE 105 CO 0.19 -0.01 1.14 -1.25 -2.02 0.00 0.00 178.31 176.36 2ron s PRO 106 N -4.42 2.60 0.24 6.41 0.04 -1.26 -4.96 135.00 133.65 2ron s PRO 106 Ca -0.14 0.29 0.09 0.00 0.04 0.00 0.00 61.00 61.29 2ron s PRO 106 Cb 0.02 -4.62 -0.04 0.00 0.04 0.00 0.00 34.50 29.89 2ron s PRO 106 CO 0.52 -2.96 -0.03 1.14 0.04 0.00 0.00 177.00 175.72 2ron s GLN 107 N 7.03 2.24 0.00 4.56 1.03 -1.26 -4.83 119.66 128.43 2ron s GLN 107 Ca 0.68 -1.37 0.00 0.00 0.04 0.00 0.00 55.36 54.71 2ron s GLN 107 Cb -0.11 -2.17 0.00 0.00 0.03 0.00 0.00 33.01 30.77 2ron s GLN 107 CO 0.13 0.38 0.00 0.00 -2.54 0.00 0.00 175.29 173.27 2ron n ALA 108 N -0.64 0.00 -2.72 2.60 0.00 -1.26 -4.94 120.51 113.55 2ron n ALA 108 Ca -0.07 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 2ron n ALA 108 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.47 5.30 -0.14 0.00 -7.23 -1.26 -3.08 120.40 113.52 2ron s VAL 109 Ca 0.00 0.48 -0.06 0.00 -1.81 0.00 0.00 61.98 60.59 2ron s VAL 109 Cb 0.00 -3.55 0.06 0.00 0.56 0.00 0.00 36.38 33.45 2ron s VAL 109 CO 0.00 0.56 0.31 -0.63 -0.31 0.00 0.00 175.10 175.03 2ron s ILE 110 N -0.77 -0.21 -0.06 -0.62 -1.09 -0.86 -1.78 121.20 115.81 2ron s ILE 110 Ca 0.18 0.17 0.06 0.00 -2.23 0.00 0.00 60.65 58.83 2ron s ILE 110 Cb -0.14 -0.48 -0.01 0.00 -1.58 0.00 0.00 42.46 40.25 2ron s ILE 110 CO 0.07 0.07 -0.24 -0.51 -1.23 0.00 0.00 174.94 173.10 2ron s ILE 111 N 1.76 1.97 -0.13 2.92 -1.16 -1.25 -2.97 121.20 122.34 2ron s ILE 111 Ca -0.06 -1.02 -0.03 0.00 -0.51 0.00 0.00 60.65 59.04 2ron s ILE 111 Cb -0.11 -1.67 -0.03 0.00 0.61 0.00 0.00 42.46 41.26 2ron s ILE 111 CO -0.10 0.55 -0.03 -0.94 -2.81 0.00 0.00 174.94 171.61 2ron s SER 112 N -0.12 4.90 0.44 4.50 1.04 -1.11 -3.49 113.70 119.87 2ron s SER 112 Ca -0.04 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.37 2ron s SER 112 Cb -0.14 -1.62 -0.02 0.00 0.10 0.00 0.00 66.02 64.34 2ron s SER 112 CO 0.04 0.24 0.11 0.00 0.98 0.00 0.00 173.24 174.61 2ron s ALA 113 N -0.09 3.29 -1.16 5.32 0.00 -1.26 -3.83 121.76 124.04 2ron s ALA 113 Ca 0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 2ron s ALA 113 Cb -0.13 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2ron s ALA 113 CO 0.02 -0.26 0.78 -0.89 0.00 0.00 0.00 175.76 175.41 2ron n ILE 114 N -1.03 -5.98 -3.05 0.00 5.41 -1.26 -4.76 119.36 108.70 2ron n ILE 114 Ca -0.10 -0.94 -0.43 0.00 1.00 0.00 0.00 62.75 62.28 2ron n ILE 114 Cb 0.65 -4.47 -0.06 0.00 -0.71 0.00 0.00 39.64 35.05 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 -5.80 3.32 0.98 0.38 -0.21 -1.26 -4.54 119.66 112.53 2ron s GLN 115 Ca 0.39 -0.29 -0.12 0.00 0.02 0.00 0.00 55.36 55.36 2ron s GLN 115 Cb -0.13 -3.95 0.18 0.00 1.00 0.00 0.00 33.01 30.11 2ron s GLN 115 CO 0.84 -1.07 1.09 -1.25 -2.12 0.00 0.00 175.29 172.79 2ron s PRO 116 N 3.01 0.57 0.15 2.91 0.04 -1.26 -3.09 135.00 137.32 2ron s PRO 116 Ca 0.25 0.57 -0.10 0.00 0.04 0.00 0.00 61.00 61.76 2ron s PRO 116 Cb -0.13 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2ron s PRO 116 CO 0.20 -2.65 1.48 -1.00 0.04 0.00 0.00 177.00 175.07 2ron h PRO 117 N -1.84 0.91 -6.68 0.56 0.13 -1.94 -3.44 132.00 119.70 2ron h PRO 117 Ca -0.54 -0.48 -0.58 0.00 -0.87 0.00 0.00 66.00 63.54 2ron h PRO 117 Cb 1.32 0.02 0.17 0.00 0.13 0.00 0.00 31.00 32.63 2ron h PRO 117 CO 0.57 1.13 -0.10 -2.39 -0.23 0.00 0.00 178.00 176.98 2ron n HIS 118 N -4.05 0.16 -3.83 1.56 1.44 -1.26 -4.95 115.22 104.29 2ron n HIS 118 Ca -0.02 0.44 -0.12 0.00 -2.01 0.00 0.00 57.72 56.02 2ron n HIS 118 Cb 0.55 -2.06 -0.09 0.00 0.12 0.00 0.00 29.99 28.51 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 -1.60 0.08 -0.33 0.61 -0.00 -1.26 -4.68 121.20 114.03 2ron s ILE 119 Ca 0.72 -0.69 -0.35 0.00 -0.00 0.00 0.00 60.65 60.33 2ron s ILE 119 Cb -0.43 -0.63 -0.11 0.00 -0.00 0.00 0.00 42.46 41.28 2ron s ILE 119 CO 0.50 -0.38 2.16 1.67 -0.00 0.00 0.00 174.94 178.89 2ron n GLN 120 N 1.16 1.17 -1.47 0.37 7.27 -1.26 -4.78 117.38 119.85 2ron n GLN 120 Ca -0.21 0.33 -0.48 0.00 0.07 0.00 0.00 57.00 56.71 2ron n GLN 120 Cb 0.57 -2.50 -0.07 0.00 2.41 0.00 0.00 30.24 30.65 2ron n GLN 120 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2ron n ARG 121 N 8.06 1.02 -4.47 3.69 0.63 -1.25 -4.90 116.66 119.43 2ron n ARG 121 Ca 0.39 0.24 -0.25 0.00 -0.92 0.00 0.00 57.85 57.32 2ron n ARG 121 Cb 0.24 -2.53 -0.08 0.00 0.45 0.00 0.00 32.46 30.54 2ron n ARG 121 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2ron s LYS 122 N 6.73 1.92 -0.23 -0.14 1.02 -1.26 -5.05 119.74 122.72 2ron s LYS 122 Ca 1.10 -2.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.90 2ron s LYS 122 Cb -0.79 -0.39 0.01 0.00 -0.52 0.00 0.00 37.83 36.15 2ron s LYS 122 CO 0.46 -0.54 -0.07 -1.59 -0.92 0.00 0.00 175.35 172.69 2ron s LYS 123 N -3.63 3.02 0.01 1.68 -2.85 -1.26 -4.57 119.74 112.14 2ron s LYS 123 Ca 0.26 -0.86 -0.05 0.00 -1.00 0.00 0.00 55.97 54.33 2ron s LYS 123 Cb 0.02 -2.96 -0.01 0.00 -2.06 0.00 0.00 37.83 32.82 2ron s LYS 123 CO 0.18 -0.32 0.08 0.08 0.10 0.00 0.00 175.35 175.46 2ron s VAL 124 N 1.37 0.10 -0.38 1.79 1.01 -1.26 -5.04 120.40 118.00 2ron s VAL 124 Ca 0.02 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2ron s VAL 124 Cb -0.16 -0.48 0.59 0.00 0.00 0.00 0.00 36.38 36.33 2ron s VAL 124 CO -0.05 -0.47 1.61 -1.20 0.00 0.00 0.00 175.10 174.99 2ron n SER 125 N 1.35 4.17 0.20 3.32 7.64 -1.26 -4.53 113.62 124.50 2ron n SER 125 Ca -0.22 -3.00 -0.08 0.00 1.01 0.00 0.00 58.87 56.57 2ron n SER 125 Cb 0.56 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 63.01 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2ron h HIS 126 N 1.96 -0.48 -2.98 1.43 6.17 -2.03 -3.47 115.15 115.76 2ron h HIS 126 Ca 0.25 -0.01 -0.46 0.00 0.71 0.00 0.00 60.37 60.86 2ron h HIS 126 Cb 2.08 0.16 -0.15 0.00 2.52 0.00 0.00 27.41 32.02 2ron h HIS 126 CO 1.06 -0.30 -0.74 -0.51 0.71 0.00 0.00 177.93 178.15 2ron s LEU 127 N -7.06 2.53 0.15 0.26 1.43 -1.26 -5.03 118.68 109.70 2ron s LEU 127 Ca -0.08 -0.98 0.19 0.00 -1.03 0.00 0.00 54.13 52.23 2ron s LEU 127 Cb 0.01 -0.69 0.82 0.00 0.03 0.00 0.00 46.19 46.36 2ron s LEU 127 CO 0.23 -0.15 1.60 -0.81 0.23 0.00 0.00 176.35 177.45 2ron n PRO 128 N -0.23 0.11 -0.55 1.29 -0.04 -1.26 -2.31 135.00 132.01 2ron n PRO 128 Ca -0.09 0.35 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2ron n PRO 128 Cb 0.60 -1.71 0.21 0.00 -0.04 0.00 0.00 33.50 32.56 2ron n PRO 128 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2ron n ASP 129 N -1.91 2.78 0.16 3.54 5.68 -1.26 -4.77 116.55 120.77 2ron n ASP 129 Ca 0.03 -3.45 -0.07 0.00 -0.50 0.00 0.00 54.79 50.80 2ron n ASP 129 Cb 0.20 -0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 39.59 2ron n ASP 129 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2ron h ASP 130 N 1.06 -0.36 -0.89 -1.12 3.58 -1.79 -2.11 116.42 114.79 2ron h ASP 130 Ca 0.09 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.72 2ron h ASP 130 Cb 1.41 0.09 -0.07 0.00 1.72 0.00 0.00 39.33 42.48 2ron h ASP 130 CO 0.23 -0.20 0.58 0.06 -2.88 0.00 0.00 179.24 177.02 2ron h GLN 131 N -0.54 0.55 0.00 0.28 3.07 -1.84 0.24 115.11 116.88 2ron h GLN 131 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2ron h GLN 131 Cb 0.33 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2ron h GLN 131 CO 0.07 0.37 0.00 1.19 0.09 0.00 0.00 178.83 180.55 2ron n PHE 132 N -4.55 0.00 0.33 0.06 3.01 -1.21 -1.85 117.46 113.24 2ron n PHE 132 Ca 0.18 0.00 0.21 0.00 1.01 0.00 0.00 57.45 58.85 2ron n PHE 132 Cb 0.56 -0.48 1.14 0.00 -0.01 0.00 0.00 39.48 40.69 2ron n PHE 132 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 2ron h LEU 133 N 0.00 0.00 -0.87 4.37 8.10 -1.19 0.22 115.31 125.94 2ron h LEU 133 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.89 2ron h LEU 133 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2ron h LEU 133 CO 0.00 0.00 -0.24 0.44 -4.11 0.00 0.00 178.44 174.53 2ron h ASP 134 N 0.00 0.57 0.03 0.17 3.32 -0.28 0.25 116.42 120.48 2ron h ASP 134 Ca 0.00 -0.19 -0.38 0.00 0.02 0.00 0.00 57.03 56.47 2ron h ASP 134 Cb 0.03 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 2ron h ASP 134 CO -0.00 0.80 -2.32 1.57 -1.72 0.00 0.00 179.24 177.57 2ron n HIS 135 N -4.12 0.37 0.05 4.55 -0.00 -0.39 -3.87 115.22 111.81 2ron n HIS 135 Ca -0.00 0.09 -0.05 0.00 0.46 0.00 0.00 57.72 58.21 2ron n HIS 135 Cb 0.41 -1.05 0.14 0.00 -0.12 0.00 0.00 29.99 29.38 2ron n HIS 135 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 2ron h ILE 136 N -0.10 1.33 -7.05 3.57 2.04 -0.70 -3.45 117.51 113.14 2ron h ILE 136 Ca -0.54 -1.69 -0.61 0.00 1.00 0.00 0.00 64.86 63.03 2ron h ILE 136 Cb 1.89 1.74 -0.36 0.00 -0.74 0.00 0.00 36.82 39.35 2ron h ILE 136 CO -0.07 0.51 -0.88 2.30 0.00 0.00 0.00 178.15 180.01 2ron n ILE 137 N -3.98 -0.06 -0.05 -0.67 -5.35 0.86 -4.29 119.36 105.82 2ron n ILE 137 Ca -0.02 -0.03 -0.04 0.00 -0.27 0.00 0.00 62.75 62.39 2ron n ILE 137 Cb 0.54 -0.51 -0.01 0.00 -1.74 0.00 0.00 39.64 37.91 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 -3.96 0.34 -3.82 6.28 7.27 -1.26 -4.42 117.38 117.81 2ron n GLN 138 Ca 0.09 0.37 -0.24 0.00 0.07 0.00 0.00 57.00 57.28 2ron n GLN 138 Cb 0.45 -1.35 0.01 0.00 2.41 0.00 0.00 30.24 31.75 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 -3.93 -2.67 -0.18 1.69 7.99 -1.26 -0.75 117.00 117.90 2ron n LEU 139 Ca -0.06 -0.93 -0.02 0.00 -0.01 0.00 0.00 56.01 54.98 2ron n LEU 139 Cb 0.24 -2.42 -0.01 0.00 -0.11 0.00 0.00 43.42 41.12 2ron n LEU 139 CO 0.10 0.42 -0.02 0.61 -1.51 0.00 0.00 177.39 176.99 2ron n GLY 140 N -1.79 0.57 0.00 -0.72 0.00 -1.26 -4.92 105.19 97.07 2ron n GLY 140 Ca -0.28 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.55 0.71 3.54 -0.02 0.00 0.07 -5.12 105.19 101.82 2ron n GLY 141 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 0.72 0.80 0.66 1.61 -1.94 -1.25 -5.04 119.30 114.86 2ron s MET 142 Ca 0.00 -0.32 -0.15 0.00 -1.71 0.00 0.00 55.69 53.51 2ron s MET 142 Cb 0.00 0.35 -0.00 0.00 2.01 0.00 0.00 34.83 37.19 2ron s MET 142 CO 0.00 -0.35 1.11 -1.25 -0.01 0.00 0.00 175.02 174.52 2ron s PRO 143 N -3.05 2.80 -0.29 2.03 0.04 -1.26 -4.20 135.00 131.06 2ron s PRO 143 Ca 0.06 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 2ron s PRO 143 Cb -0.01 -1.95 0.15 0.00 0.04 0.00 0.00 34.50 32.73 2ron s PRO 143 CO -0.07 -1.25 0.99 0.00 0.04 0.00 0.00 177.00 176.71 2ron s ALA 144 N -2.35 -2.35 0.00 8.56 0.00 -1.26 -5.05 121.76 119.31 2ron s ALA 144 Ca 0.67 2.17 0.00 0.00 0.00 0.00 0.00 51.96 54.80 2ron s ALA 144 Cb -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2ron s ALA 144 CO 0.42 -0.41 0.00 -0.85 0.00 0.00 0.00 175.76 174.91 2ron n GLU 145 N 3.81 1.34 -0.27 0.00 0.28 -1.26 -4.61 120.64 119.93 2ron n GLU 145 Ca -0.17 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 56.92 2ron n GLU 145 Cb 0.57 -0.67 0.26 0.00 1.43 0.00 0.00 31.44 33.04 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2ron n LEU 146 N -1.00 3.09 0.00 -1.84 -0.00 -1.26 -4.10 117.00 111.90 2ron n LEU 146 Ca 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 56.01 54.51 2ron n LEU 146 Cb 0.17 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 2ron n LEU 146 CO 0.00 0.75 -0.46 1.33 -0.00 0.00 0.00 177.39 179.01 2ron n VAL 147 N 1.20 0.00 -0.09 1.47 0.24 -1.26 -4.68 118.33 115.21 2ron n VAL 147 Ca 0.19 0.00 0.25 0.00 -2.04 0.00 0.00 64.34 62.74 2ron n VAL 147 Cb 0.50 -0.34 0.72 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.42 7.34 4.11 -1.82 -0.99 114.58 123.64 2ron h GLU 148 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2ron h GLU 148 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2ron h GLU 148 CO 0.00 0.00 -0.20 -0.97 0.07 0.00 0.00 179.01 177.91 2ron h ASN 149 N 0.00 -0.48 -0.65 3.06 -1.24 -1.83 -2.42 115.58 112.02 2ron h ASN 149 Ca 0.35 0.02 0.19 0.00 0.71 0.00 0.00 56.30 57.56 2ron h ASN 149 Cb 1.43 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.58 2ron h ASN 149 CO -0.00 -0.17 0.47 0.07 -1.29 0.00 0.00 177.43 176.50 2ron h LYS 150 N -0.92 0.01 -0.01 6.67 2.10 -1.72 0.30 116.57 123.01 2ron h LYS 150 Ca -0.06 -0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.47 2ron h LYS 150 Cb 0.44 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.75 2ron h LYS 150 CO 0.10 0.01 -0.58 0.93 -2.00 0.00 0.00 179.45 177.91 2ron h GLU 151 N 0.01 0.03 0.00 0.07 5.08 -1.18 0.44 114.58 119.03 2ron h GLU 151 Ca 0.31 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2ron h GLU 151 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2ron h GLU 151 CO -0.01 0.60 -0.64 0.28 -1.00 0.00 0.00 179.01 178.24 2ron h VAL 152 N 0.03 1.38 -0.02 3.13 2.07 0.12 0.39 116.25 123.34 2ron h VAL 152 Ca -0.01 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2ron h VAL 152 Cb 1.03 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2ron h VAL 152 CO 0.08 0.63 -0.23 1.15 0.02 0.00 0.00 177.57 179.22 2ron n MET 153 N -3.66 1.79 0.00 1.57 0.00 -0.97 -4.16 117.12 111.69 2ron n MET 153 Ca -0.01 -1.48 0.00 0.00 0.00 0.00 0.00 57.70 56.22 2ron n MET 153 Cb 0.66 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 32.41 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 0.68 0.00 0.21 3.17 7.64 0.13 -4.52 113.62 120.92 2ron n SER 154 Ca 0.12 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.18 2ron n SER 154 Cb 0.54 0.00 0.80 0.00 -1.01 0.00 0.00 64.21 64.53 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 -4.69 1.43 -1.00 -0.64 -3.40 116.94 108.64 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 -0.06 0.34 -1.61 0.00 0.00 178.31 176.98 2ron n PHE 156 N -3.40 -2.21 -1.04 -0.55 -0.00 1.00 -4.29 117.46 106.96 2ron n PHE 156 Ca 0.03 0.85 -0.35 0.00 -0.00 0.00 0.00 57.45 57.98 2ron n PHE 156 Cb 0.48 -3.38 0.09 0.00 -0.00 0.00 0.00 39.48 36.67 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 -1.34 0.29 0.20 -2.13 -0.00 -1.24 -4.62 117.00 108.16 2ron n LEU 157 Ca 0.02 0.46 0.06 0.00 -0.00 0.00 0.00 56.01 56.55 2ron n LEU 157 Cb 0.47 -1.21 0.40 0.00 -0.00 0.00 0.00 43.42 43.08 2ron n LEU 157 CO 0.37 -3.38 0.73 1.55 -0.00 0.00 0.00 177.39 176.66 2ron h PRO 158 N -0.93 0.00 -5.49 1.47 0.13 -1.85 -3.43 132.00 121.90 2ron h PRO 158 Ca -0.45 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.21 2ron h PRO 158 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2ron h PRO 158 CO 0.38 0.34 1.66 0.43 -0.23 0.00 0.00 178.00 180.59 2ron n SER 159 N -3.71 1.91 0.23 1.44 7.64 -1.26 -4.83 113.62 115.04 2ron n SER 159 Ca -0.01 -0.36 -0.09 0.00 1.01 0.00 0.00 58.87 59.42 2ron n SER 159 Cb 0.44 -1.45 -0.04 0.00 -1.01 0.00 0.00 64.21 62.15 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 160 N 17.99 -0.54 -1.12 1.43 0.04 -1.97 -1.87 116.94 130.90 2ron h PHE 160 Ca -0.20 -0.01 0.31 0.00 2.80 0.00 0.00 57.97 60.87 2ron h PHE 160 Cb 1.28 0.18 -0.09 0.00 2.20 0.00 0.00 35.95 39.51 2ron h PHE 160 CO 0.99 -0.34 0.73 0.07 -0.60 0.00 0.00 178.31 179.16 2ron h ARG 161 N -0.64 0.27 0.53 1.51 0.11 -1.95 0.56 114.38 114.77 2ron h ARG 161 Ca -0.06 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 2ron h ARG 161 Cb 0.45 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.47 2ron h ARG 161 CO 0.10 0.18 -0.25 1.03 0.10 0.00 0.00 179.97 181.12 2ron h SER 162 N 0.28 -0.60 0.42 0.08 0.87 -1.91 -2.07 113.55 110.61 2ron h SER 162 Ca 0.64 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 61.20 2ron h SER 162 Cb 1.84 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 2ron h SER 162 CO -0.28 -0.38 -0.20 -0.78 -0.53 0.00 0.00 176.83 174.66 2ron h ASP 163 N -0.81 -0.47 -0.92 6.23 3.58 -0.48 0.37 116.42 123.92 2ron h ASP 163 Ca -0.07 -0.06 0.24 0.00 0.42 0.00 0.00 57.03 57.56 2ron h ASP 163 Cb 0.55 0.12 -0.17 0.00 1.72 0.00 0.00 39.33 41.55 2ron h ASP 163 CO 0.12 -0.23 0.04 1.88 -2.88 0.00 0.00 179.24 178.17 2ron h TYR 164 N -0.70 -0.02 0.11 0.28 -1.99 -0.02 1.25 116.97 115.89 2ron h TYR 164 Ca -0.06 0.07 -0.27 0.00 2.00 0.00 0.00 58.73 60.47 2ron h TYR 164 Cb 0.50 0.15 0.01 0.00 2.00 0.00 0.00 36.73 39.40 2ron h TYR 164 CO -0.02 -0.36 -1.20 -0.09 -0.00 0.00 0.00 178.16 176.50 2ron h ARG 165 N 0.06 0.39 -0.01 4.88 2.43 -1.24 -1.85 114.38 119.03 2ron h ARG 165 Ca 0.54 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ron h ARG 165 Cb 1.07 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2ron h ARG 165 CO -0.83 1.24 0.00 0.00 -1.51 0.00 0.00 179.97 178.87 2ron n ALA 166 N -2.58 2.59 -0.03 2.80 0.00 0.13 0.32 120.51 123.74 2ron n ALA 166 Ca -0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 2ron n ALA 166 Cb 0.98 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 2ron n ALA 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ron n LEU 167 N -0.69 1.10 0.00 0.00 7.94 0.39 -4.85 117.00 120.90 2ron n LEU 167 Ca 0.11 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 2ron n LEU 167 Cb 0.06 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 43.84 2ron n LEU 167 CO 0.09 0.25 0.03 -1.84 -1.11 0.00 0.00 177.39 174.80 2ron n GLU 168 N -3.10 4.73 -3.96 1.96 0.28 -0.71 -5.02 120.64 114.82 2ron n GLU 168 Ca -0.11 -0.06 -0.28 0.00 -0.16 0.00 0.00 57.16 56.55 2ron n GLU 168 Cb 0.59 -0.47 -0.00 0.00 1.43 0.00 0.00 31.44 32.98 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2ron n GLN 169 N -0.69 -4.06 0.00 3.44 6.02 0.15 -4.84 117.38 117.40 2ron n GLN 169 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2ron n GLN 169 Cb 0.01 -4.99 0.00 0.00 1.02 0.00 0.00 30.24 26.28 2ron n GLN 169 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2ron n PHE 170 N -4.44 0.00 -0.93 1.08 7.35 -1.26 -5.00 117.46 114.25 2ron n PHE 170 Ca -0.14 -0.08 -0.31 0.00 -0.76 0.00 0.00 57.45 56.16 2ron n PHE 170 Cb 0.60 -0.01 0.14 0.00 0.35 0.00 0.00 39.48 40.56 2ron n PHE 170 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2ron s GLU 171 N -0.16 1.51 0.53 -4.13 -6.30 -1.26 -5.03 118.70 103.85 2ron s GLU 171 Ca 0.00 1.44 0.02 0.00 -2.50 0.00 0.00 54.97 53.93 2ron s GLU 171 Cb 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 34.13 32.35 2ron s GLU 171 CO 0.00 -2.25 0.14 -0.51 0.02 0.00 0.00 175.26 172.66 2ron s LEU 172 N -6.28 2.39 0.00 2.70 1.43 -1.26 -4.98 118.68 112.68 2ron s LEU 172 Ca 0.65 -1.54 0.29 0.00 -1.03 0.00 0.00 54.13 52.50 2ron s LEU 172 Cb -0.21 -0.86 1.27 0.00 0.03 0.00 0.00 46.19 46.42 2ron s LEU 172 CO 0.56 -0.97 1.88 0.00 0.23 0.00 0.00 176.35 178.05 2ron n TYR 173 N -1.45 0.00 -3.78 0.29 0.18 -1.26 -4.78 117.16 106.36 2ron n TYR 173 Ca -0.14 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.50 2ron n TYR 173 Cb 0.66 -0.08 -0.15 0.00 -0.38 0.00 0.00 39.34 39.39 2ron n TYR 173 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 2ron s ASP 174 N -2.23 -0.04 -0.05 9.48 -4.77 -1.26 -5.02 116.67 112.78 2ron s ASP 174 Ca 0.35 0.18 0.07 0.00 -3.30 0.00 0.00 52.55 49.85 2ron s ASP 174 Cb 0.21 0.09 0.11 0.00 -1.09 0.00 0.00 42.92 42.24 2ron s ASP 174 CO 0.41 -0.12 0.98 0.00 0.70 0.00 0.00 175.17 177.15 2ron n LEU 175 N 3.96 1.25 -4.88 2.11 -0.00 -1.26 -5.08 117.00 113.10 2ron n LEU 175 Ca -0.24 -1.83 -0.30 0.00 -0.00 0.00 0.00 56.01 53.64 2ron n LEU 175 Cb 0.53 -0.16 0.01 0.00 -0.00 0.00 0.00 43.42 43.80 2ron n LEU 175 CO 0.20 0.43 0.70 0.00 -0.00 0.00 0.00 177.39 178.72 2ron s ALA 176 N -1.27 3.11 -1.08 1.47 0.00 -1.26 -4.34 121.76 118.39 2ron s ALA 176 Ca 0.12 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 2ron s ALA 176 Cb 0.11 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.15 2ron s ALA 176 CO 0.01 -0.71 0.94 1.04 0.00 0.00 0.00 175.76 177.03 2ron n GLN 177 N -2.73 -3.13 -4.05 0.00 6.02 -1.12 -4.98 117.38 107.39 2ron n GLN 177 Ca 0.06 0.86 -0.18 0.00 -0.01 0.00 0.00 57.00 57.73 2ron n GLN 177 Cb 0.55 -5.84 -0.16 0.00 1.02 0.00 0.00 30.24 25.81 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 -3.38 0.33 -0.30 5.09 1.01 -1.26 -5.06 121.20 117.64 2ron s ILE 178 Ca 0.37 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.84 2ron s ILE 178 Cb -0.05 -0.38 0.15 0.00 0.01 0.00 0.00 42.46 42.19 2ron s ILE 178 CO 0.74 0.17 0.89 0.00 0.00 0.00 0.00 174.94 176.73 2ron s GLN 179 N 0.80 0.40 0.00 2.79 -2.07 -1.26 -2.88 119.66 117.43 2ron s GLN 179 Ca -0.09 0.92 0.00 0.00 -1.82 0.00 0.00 55.36 54.37 2ron s GLN 179 Cb -0.12 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 2ron s GLN 179 CO -0.01 -0.12 0.00 0.43 -1.32 0.00 0.00 175.29 174.27 2ron n SER 180 N 4.83 0.00 -2.65 12.60 7.64 -1.26 -4.85 113.62 129.94 2ron n SER 180 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2ron n SER 180 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.00 -0.74 -4.41 1.43 -0.04 -1.26 -4.29 135.00 125.68 2ron n PRO 181 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2ron n PRO 181 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.86 0.77 0.08 0.52 1.01 -1.18 -3.08 120.40 117.65 2ron s VAL 182 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2ron s VAL 182 Cb 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.82 2ron s VAL 182 CO 0.00 0.22 0.94 -1.38 0.00 0.00 0.00 175.10 174.88 2ron s HIS 183 N -0.23 -0.22 -0.12 5.22 -3.43 -1.03 -2.03 115.29 113.47 2ron s HIS 183 Ca 0.04 -0.00 -0.17 0.00 -0.80 0.00 0.00 55.06 54.12 2ron s HIS 183 Cb -0.04 0.59 0.04 0.00 -1.43 0.00 0.00 32.58 31.75 2ron s HIS 183 CO -0.00 -0.68 0.44 0.08 -2.00 0.00 0.00 174.74 172.58 2ron s VAL 184 N -3.17 0.02 0.28 -5.38 1.01 -1.16 -3.62 120.40 108.38 2ron s VAL 184 Ca 0.09 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 62.04 2ron s VAL 184 Cb -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2ron s VAL 184 CO -0.03 -0.07 -0.01 -0.36 0.00 0.00 0.00 175.10 174.63 2ron s PHE 185 N -0.35 2.64 0.20 5.22 0.40 0.52 -2.74 117.98 123.87 2ron s PHE 185 Ca -0.05 -0.27 -0.22 0.00 -0.60 0.00 0.00 56.93 55.79 2ron s PHE 185 Cb -0.03 -1.24 0.08 0.00 0.51 0.00 0.00 43.02 42.33 2ron s PHE 185 CO 0.03 0.59 1.03 0.54 0.70 0.00 0.00 175.22 178.11 2ron s ASN 186 N -3.67 0.01 0.57 1.36 2.20 -1.25 -2.23 114.94 111.92 2ron s ASN 186 Ca 0.32 -0.70 0.00 0.00 -0.94 0.00 0.00 52.86 51.54 2ron s ASN 186 Cb -0.05 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 2ron s ASN 186 CO 0.20 -1.03 0.00 0.61 -2.94 0.00 0.00 177.10 173.94 2ron n GLY 187 N -0.70 1.00 4.32 0.45 0.00 -0.04 -4.43 105.19 105.78 2ron n GLY 187 Ca -0.03 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.86 0.32 0.99 -0.00 -1.18 -3.19 117.00 113.08 2ron n LEU 188 Ca 0.00 -1.06 0.21 0.00 -0.00 0.00 0.00 56.01 55.16 2ron n LEU 188 Cb 0.00 -1.61 1.13 0.00 -0.00 0.00 0.00 43.42 42.94 2ron n LEU 188 CO 0.00 0.11 1.14 -2.24 -0.00 0.00 0.00 177.39 176.41 2ron h ASP 189 N -0.86 0.00 0.00 1.45 2.03 -1.91 -3.20 116.42 113.92 2ron h ASP 189 Ca -0.55 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 2ron h ASP 189 Cb 1.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 2ron h ASP 189 CO 0.81 0.00 0.00 0.47 -1.03 0.00 0.00 179.24 179.49 2ron n ASP 190 N -2.97 0.00 -4.91 4.15 8.00 -1.26 0.03 116.55 119.58 2ron n ASP 190 Ca -0.03 0.31 -0.32 0.00 0.71 0.00 0.00 54.79 55.46 2ron n ASP 190 Cb 0.08 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.76 3.45 0.00 -1.24 2.20 -1.21 -3.54 119.74 118.65 2ron s LYS 191 Ca 0.00 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 2ron s LYS 191 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2ron s LYS 191 CO 0.00 0.64 0.00 1.17 -0.36 0.00 0.00 175.35 176.80 2ron n LYS 192 N 0.60 0.34 -0.35 4.03 4.81 -1.26 -4.71 118.16 121.62 2ron n LYS 192 Ca -0.08 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.45 2ron n LYS 192 Cb 0.52 -0.74 0.26 0.00 0.02 0.00 0.00 35.03 35.09 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ron h ILE 194 N 0.87 1.25 0.67 0.00 2.10 -1.98 -1.32 117.51 119.10 2ron h ILE 194 Ca 0.51 -1.01 -0.03 0.00 1.08 0.00 0.00 64.86 65.41 2ron h ILE 194 Cb 0.62 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2ron h ILE 194 CO -0.31 0.37 -0.36 -0.09 -1.08 0.00 0.00 178.15 176.68 2ron h ARG 195 N 0.91 -0.91 -0.85 2.19 1.12 -1.35 0.19 114.38 115.67 2ron h ARG 195 Ca 0.18 0.06 0.09 0.00 -1.11 0.00 0.00 59.98 59.20 2ron h ARG 195 Cb 0.43 0.21 -0.06 0.00 -0.01 0.00 0.00 29.97 30.54 2ron h ARG 195 CO 0.01 -0.61 0.55 -0.44 -3.11 0.00 0.00 179.97 176.38 2ron h ASP 196 N -0.95 0.77 0.76 -3.80 3.32 -1.47 0.98 116.42 116.03 2ron h ASP 196 Ca -0.09 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2ron h ASP 196 Cb 0.74 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.15 2ron h ASP 196 CO 0.13 0.47 -0.36 0.00 -1.72 0.00 0.00 179.24 177.75 2ron h ALA 197 N 1.56 -1.02 0.00 3.45 0.00 -1.04 0.21 119.26 122.43 2ron h ALA 197 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ron h ALA 197 Cb 0.36 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ron h ALA 197 CO -0.15 -1.00 0.00 -0.85 0.00 0.00 0.00 179.25 177.25 2ron n GLU 198 N -5.48 0.97 -0.00 0.00 0.28 0.66 -1.85 120.64 115.22 2ron n GLU 198 Ca -0.14 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.93 2ron n GLU 198 Cb 0.41 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.71 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ron n GLY 199 N 0.94 -0.29 0.00 -1.84 0.00 0.34 -4.53 105.19 99.81 2ron n GLY 199 Ca 0.23 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.43 0.00 0.26 1.61 -0.00 0.72 -4.56 117.44 114.04 2ron n TRP 200 Ca 0.02 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.68 2ron n TRP 200 Cb 0.23 -0.06 0.87 0.00 -0.00 0.00 0.00 31.31 32.35 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 -0.00 -1.55 -0.82 116.57 120.07 2ron h LYS 201 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 60.65 60.46 2ron h LYS 201 Cb 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.35 2ron h LYS 201 CO 0.00 0.00 -1.95 0.36 -0.00 0.00 0.00 179.45 177.86 2ron n LYS 202 N -2.66 0.66 -1.96 0.07 2.85 -1.26 -4.87 118.16 110.99 2ron n LYS 202 Ca -0.02 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.04 2ron n LYS 202 Cb 0.07 -1.61 -0.05 0.00 -0.65 0.00 0.00 35.03 32.79 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -2.64 -0.48 -3.39 5.58 7.02 -0.31 -2.80 117.44 120.42 2ron n TRP 203 Ca -0.16 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.94 2ron n TRP 203 Cb 0.87 -3.66 -0.06 0.00 -2.42 0.00 0.00 31.31 26.04 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 -2.86 3.60 -0.38 6.99 0.00 -1.26 -4.56 121.76 123.29 2ron s ALA 204 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.81 2ron s ALA 204 Cb 0.00 -2.52 0.13 0.00 0.00 0.00 0.00 23.12 20.73 2ron s ALA 204 CO 0.00 0.30 0.20 0.15 0.00 0.00 0.00 175.76 176.41 2ron s LYS 205 N -0.50 0.92 1.04 0.00 3.01 -1.14 -4.96 119.74 118.11 2ron s LYS 205 Ca 0.25 -1.56 -0.12 0.00 -1.01 0.00 0.00 55.97 53.53 2ron s LYS 205 Cb -0.17 -1.94 0.18 0.00 -1.01 0.00 0.00 37.83 34.89 2ron s LYS 205 CO 0.13 -1.13 0.89 -0.25 0.51 0.00 0.00 175.35 175.50 2ron n ASP 206 N 4.03 -1.02 -0.21 2.83 9.92 -1.26 -4.65 116.55 126.19 2ron n ASP 206 Ca 0.07 0.14 0.28 0.00 -0.53 0.00 0.00 54.79 54.74 2ron n ASP 206 Cb 0.37 -1.31 0.69 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.17 0.55 -2.13 0.53 6.09 -1.73 -3.31 117.51 115.35 2ron h ILE 207 Ca -0.51 -0.03 -0.40 0.00 -1.37 0.00 0.00 64.86 62.55 2ron h ILE 207 Cb 1.30 0.47 -0.33 0.00 0.47 0.00 0.00 36.82 38.73 2ron h ILE 207 CO 0.43 0.01 -0.71 -0.89 -3.07 0.00 0.00 178.15 173.92 2ron s THR 208 N -5.06 -0.25 -0.05 2.19 2.01 -1.26 -5.09 115.64 108.13 2ron s THR 208 Ca -0.06 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.00 2ron s THR 208 Cb 0.22 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 2ron s THR 208 CO 0.78 -0.64 -0.25 0.72 -0.69 0.00 0.00 174.62 174.54 2ron s PHE 209 N 1.57 2.35 0.04 4.92 -0.71 -1.25 -2.45 117.98 122.45 2ron s PHE 209 Ca 0.15 -0.64 -0.02 0.00 -1.04 0.00 0.00 56.93 55.38 2ron s PHE 209 Cb -0.16 -1.54 -0.02 0.00 -1.21 0.00 0.00 43.02 40.09 2ron s PHE 209 CO -0.10 -0.17 0.01 -1.58 -1.34 0.00 0.00 175.22 172.05 2ron s HIS 210 N -0.25 0.33 -0.01 3.49 2.46 -1.24 -5.03 115.29 115.04 2ron s HIS 210 Ca -0.01 -0.71 -0.01 0.00 0.47 0.00 0.00 55.06 54.80 2ron s HIS 210 Cb -0.13 -0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.08 2ron s HIS 210 CO 0.03 -0.32 0.03 1.14 -2.47 0.00 0.00 174.74 173.15 2ron s GLN 211 N -2.74 0.04 -0.26 2.88 -2.07 -1.25 -0.36 119.66 115.90 2ron s GLN 211 Ca -0.04 0.05 -0.04 0.00 -1.82 0.00 0.00 55.36 53.51 2ron s GLN 211 Cb -0.01 0.01 0.09 0.00 -1.09 0.00 0.00 33.01 32.01 2ron s GLN 211 CO -0.05 -0.01 0.12 0.12 -1.32 0.00 0.00 175.29 174.14 2ron s PHE 212 N 0.05 0.36 0.24 9.60 5.36 -0.95 -4.97 117.98 127.68 2ron s PHE 212 Ca -0.00 -0.78 0.08 0.00 -0.96 0.00 0.00 56.93 55.27 2ron s PHE 212 Cb -0.01 -0.88 -0.04 0.00 -0.34 0.00 0.00 43.02 41.75 2ron s PHE 212 CO -0.00 -0.75 0.09 0.16 -1.46 0.00 0.00 175.22 173.26 2ron s ASP 213 N 2.08 5.06 0.00 6.13 1.47 -1.26 -0.87 116.67 129.29 2ron s ASP 213 Ca 0.07 -0.41 0.00 0.00 1.18 0.00 0.00 52.55 53.39 2ron s ASP 213 Cb -0.16 -1.15 0.00 0.00 -0.34 0.00 0.00 42.92 41.27 2ron s ASP 213 CO -0.29 -0.00 0.00 0.61 0.68 0.00 0.00 175.17 176.17 2ron n GLY 214 N -0.89 -0.46 0.51 2.12 0.00 -1.19 -4.76 105.19 100.51 2ron n GLY 214 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.71 -0.22 0.16 -0.02 0.00 0.01 -4.85 105.19 101.98 2ron n GLY 215 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.11 0.00 -0.60 1.61 8.25 0.10 -4.15 115.22 120.33 2ron n HIS 216 Ca 0.00 -0.30 -0.30 0.00 -0.26 0.00 0.00 57.72 56.86 2ron n HIS 216 Cb 0.00 -0.05 0.19 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.39 -2.05 -0.09 -0.41 0.00 -1.23 -4.06 117.12 108.90 2ron n MET 217 Ca 0.03 -0.59 0.25 0.00 0.00 0.00 0.00 57.70 57.40 2ron n MET 217 Cb 0.53 -1.72 0.72 0.00 0.00 0.00 0.00 33.22 32.75 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 -2.34 0.00 0.00 1.12 3.57 -1.91 0.15 116.94 117.52 2ron h PHE 218 Ca -0.50 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 60.62 2ron h PHE 218 Cb 1.27 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.96 2ron h PHE 218 CO -0.54 0.00 -2.24 -0.11 -2.23 0.00 0.00 178.31 173.19 2ron n LEU 219 N -4.19 1.61 -0.16 0.59 -0.00 -1.26 -3.70 117.00 109.90 2ron n LEU 219 Ca 0.14 0.28 0.27 0.00 -0.00 0.00 0.00 56.01 56.70 2ron n LEU 219 Cb 0.82 -0.67 0.71 0.00 -0.00 0.00 0.00 43.42 44.28 2ron n LEU 219 CO 0.36 0.45 1.25 -0.07 -0.00 0.00 0.00 177.39 179.39 2ron h LEU 220 N -0.82 0.02 0.07 -1.96 3.38 -1.83 0.11 115.31 114.29 2ron h LEU 220 Ca -0.57 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.10 2ron h LEU 220 Cb 1.49 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2ron h LEU 220 CO -0.34 0.01 -1.62 -1.28 0.09 0.00 0.00 178.44 175.29 2ron h SER 221 N 0.02 0.24 -0.89 -0.43 0.87 -0.85 -3.35 113.55 109.15 2ron h SER 221 Ca 0.40 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2ron h SER 221 Cb 1.59 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 63.41 2ron h SER 221 CO -0.01 1.35 0.55 -0.61 -0.53 0.00 0.00 176.83 177.57 2ron h GLN 222 N 0.04 0.93 -3.90 2.24 5.75 -0.88 -3.32 115.11 115.98 2ron h GLN 222 Ca -0.27 -0.06 -0.77 0.00 -0.15 0.00 0.00 58.65 57.41 2ron h GLN 222 Cb 2.00 -0.21 -0.27 0.00 1.07 0.00 0.00 27.48 30.07 2ron h GLN 222 CO 0.12 0.62 -0.05 0.99 -2.65 0.00 0.00 178.83 177.85 2ron s THR 223 N -6.04 5.23 0.56 2.39 2.01 -0.86 -4.90 115.64 114.03 2ron s THR 223 Ca -0.12 -2.26 0.26 0.00 0.31 0.00 0.00 61.69 59.87 2ron s THR 223 Cb 0.19 -4.28 0.36 0.00 0.01 0.00 0.00 72.50 68.78 2ron s THR 223 CO 0.79 -0.96 2.06 -0.08 -0.69 0.00 0.00 174.62 175.74 2ron h GLU 224 N 8.00 0.00 0.34 4.92 4.81 -1.81 -2.22 114.58 128.62 2ron h GLU 224 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2ron h GLU 224 Cb 1.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2ron h GLU 224 CO 0.82 0.00 -0.23 1.49 -0.73 0.00 0.00 179.01 180.36 2ron h GLU 225 N 0.00 -0.54 -0.92 1.92 4.57 -1.92 -1.91 114.58 115.78 2ron h GLU 225 Ca 0.14 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.48 2ron h GLU 225 Cb 0.65 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.28 2ron h GLU 225 CO -0.00 -0.36 0.55 0.28 -1.18 0.00 0.00 179.01 178.30 2ron h VAL 226 N -0.56 0.87 0.70 0.32 2.07 -1.72 -0.80 116.25 117.12 2ron h VAL 226 Ca -0.03 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2ron h VAL 226 Cb 0.48 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2ron h VAL 226 CO 0.02 0.16 -0.41 0.00 0.02 0.00 0.00 177.57 177.36 2ron h ALA 227 N 1.52 -1.23 -0.43 1.67 0.00 -1.41 -1.54 119.26 117.85 2ron h ALA 227 Ca 0.47 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.28 2ron h ALA 227 Cb 0.51 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2ron h ALA 227 CO -0.28 -1.19 0.35 0.93 0.00 0.00 0.00 179.25 179.06 2ron h GLU 228 N -1.03 0.00 -0.10 0.00 3.07 -1.07 -1.19 114.58 114.26 2ron h GLU 228 Ca -0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 2ron h GLU 228 Cb 0.82 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2ron h GLU 228 CO 0.11 0.00 -0.01 -0.09 -1.40 0.00 0.00 179.01 177.62 2ron h ARG 229 N 0.00 0.18 0.65 2.33 9.65 -0.64 -1.36 114.38 125.19 2ron h ARG 229 Ca 0.20 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2ron h ARG 229 Cb 0.90 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.47 2ron h ARG 229 CO -0.00 0.46 -0.31 0.82 2.80 0.00 0.00 179.97 183.74 2ron h ILE 230 N -0.12 0.27 -0.80 1.20 1.08 -0.23 -2.76 117.51 116.14 2ron h ILE 230 Ca 0.03 -0.23 0.15 0.00 -0.39 0.00 0.00 64.86 64.42 2ron h ILE 230 Cb 0.39 0.33 -0.10 0.00 -3.07 0.00 0.00 36.82 34.37 2ron h ILE 230 CO 0.01 0.02 0.35 0.15 -0.69 0.00 0.00 178.15 177.99 2ron h PHE 231 N -1.04 0.61 0.21 1.37 3.04 -1.47 0.18 116.94 119.84 2ron h PHE 231 Ca -0.09 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.90 2ron h PHE 231 Cb 0.71 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.03 2ron h PHE 231 CO -0.00 0.09 -0.52 0.00 -2.02 0.00 0.00 178.31 175.85 2ron h ALA 232 N 1.57 -1.04 0.00 2.41 0.00 -1.16 -0.61 119.26 120.42 2ron h ALA 232 Ca 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ron h ALA 232 Cb 0.68 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2ron h ALA 232 CO -0.40 -1.14 -0.02 0.97 0.00 0.00 0.00 179.25 178.66 2ron h ILE 233 N -0.81 0.06 -0.45 0.00 2.10 -1.12 0.20 117.51 117.49 2ron h ILE 233 Ca -0.02 -0.38 -0.11 0.00 1.08 0.00 0.00 64.86 65.43 2ron h ILE 233 Cb 0.78 1.35 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 2ron h ILE 233 CO -0.23 0.02 -0.15 0.25 -1.08 0.00 0.00 178.15 176.96 2ron h LEU 234 N 0.00 0.91 0.00 2.19 7.12 0.80 0.30 115.31 126.63 2ron h LEU 234 Ca -0.00 -0.38 -0.20 0.00 0.13 0.00 0.00 57.88 57.43 2ron h LEU 234 Cb 0.35 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 2ron h LEU 234 CO 0.00 1.08 -1.75 -3.20 -0.13 0.00 0.00 178.44 174.44 2ron n ASN 235 N -4.22 0.53 -0.49 1.25 5.15 -0.50 -4.01 115.26 112.97 2ron n ASN 235 Ca -0.00 0.23 0.14 0.00 -0.60 0.00 0.00 54.58 54.35 2ron n ASN 235 Cb 0.41 0.62 0.45 0.00 -0.53 0.00 0.00 39.78 40.72 2ron n ASN 235 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ron n GLN 236 N -2.77 1.59 0.09 1.20 6.02 0.67 -4.35 117.38 119.83 2ron n GLN 236 Ca -0.15 -0.98 -0.15 0.00 -0.01 0.00 0.00 57.00 55.71 2ron n GLN 236 Cb 0.89 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 30.59 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 2.40 -1.35 -0.28 1.08 -0.00 -0.54 -2.70 115.15 113.76 2ron h HIS 237 Ca 0.00 0.04 -0.14 0.00 -0.00 0.00 0.00 60.37 60.27 2ron h HIS 237 Cb 0.56 0.58 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 2ron h HIS 237 CO 0.00 -0.55 -0.41 -1.00 -0.00 0.00 0.00 177.93 175.97 2ron h PRO 238 N -0.67 0.67 -4.68 5.26 0.13 -1.84 -3.41 132.00 127.45 2ron h PRO 238 Ca 0.02 -0.35 -0.65 0.00 -0.87 0.00 0.00 66.00 64.15 2ron h PRO 238 Cb 0.71 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.48 2ron h PRO 238 CO -0.29 0.96 -0.79 0.42 -0.23 0.00 0.00 178.00 178.06 2ron s ILE 239 N -4.27 1.97 -0.11 -3.56 1.01 -1.03 -5.11 121.20 110.10 2ron s ILE 239 Ca -0.08 -1.56 -0.07 0.00 0.00 0.00 0.00 60.65 58.93 2ron s ILE 239 Cb 0.12 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 2ron s ILE 239 CO 0.84 -0.10 0.16 -0.63 0.00 0.00 0.00 174.94 175.21 2ron s ILE 240 N 1.18 5.47 0.84 2.92 1.09 -1.15 -4.36 121.20 127.19 2ron s ILE 240 Ca -0.06 0.24 -0.15 0.00 -1.10 0.00 0.00 60.65 59.58 2ron s ILE 240 Cb -0.20 -3.43 -0.00 0.00 -1.06 0.00 0.00 42.46 37.77 2ron s ILE 240 CO -0.06 0.60 0.45 0.00 -0.10 0.00 0.00 174.94 175.83 2ron n GLN 241 N 1.91 0.02 0.00 2.79 10.64 -1.26 -5.15 117.38 126.33 2ron n GLN 241 Ca -0.19 0.05 0.08 0.00 -1.83 0.00 0.00 57.00 55.11 2ron n GLN 241 Cb 0.55 -1.83 0.46 0.00 -0.86 0.00 0.00 30.24 28.56 2ron n GLN 241 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88