#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 -0.17 0.36 7.83 1.04 -1.24 -4.86 113.70 116.65 2ron s SER 2 Ca 0.00 0.00 0.07 0.00 0.48 0.00 0.00 55.95 56.51 2ron s SER 2 Cb 0.00 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 2ron s SER 2 CO 0.00 -0.29 0.41 -1.10 0.98 0.00 0.00 173.24 173.24 2ron s GLN 3 N -2.51 2.85 -0.25 4.02 -1.52 -1.12 -4.01 119.66 117.11 2ron s GLN 3 Ca 0.09 -1.22 -0.18 0.00 -1.95 0.00 0.00 55.36 52.09 2ron s GLN 3 Cb -0.01 -2.63 0.07 0.00 -0.22 0.00 0.00 33.01 30.22 2ron s GLN 3 CO -0.05 -0.01 0.65 -0.48 -0.25 0.00 0.00 175.29 175.14 2ron s LEU 4 N -4.13 -0.66 -0.26 2.90 2.34 -1.26 -0.09 118.68 117.52 2ron s LEU 4 Ca 0.45 1.37 -0.13 0.00 0.06 0.00 0.00 54.13 55.88 2ron s LEU 4 Cb -0.07 2.22 -0.04 0.00 -0.56 0.00 0.00 46.19 47.74 2ron s LEU 4 CO 0.29 -0.23 0.29 0.12 -1.06 0.00 0.00 176.35 175.77 2ron s PHE 5 N 1.02 3.27 -0.06 3.48 5.36 -0.40 -4.89 117.98 125.77 2ron s PHE 5 Ca -0.05 0.34 0.05 0.00 -0.96 0.00 0.00 56.93 56.30 2ron s PHE 5 Cb -0.05 -2.47 -0.00 0.00 -0.34 0.00 0.00 43.02 40.16 2ron s PHE 5 CO -0.10 -0.13 -0.20 -1.59 -1.46 0.00 0.00 175.22 171.74 2ron s LYS 6 N 1.71 2.18 -0.11 10.12 0.00 -1.26 -1.45 119.74 130.94 2ron s LYS 6 Ca 0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 55.97 55.35 2ron s LYS 6 Cb -0.15 -1.82 0.05 0.00 0.00 0.00 0.00 37.83 35.91 2ron s LYS 6 CO 0.09 0.25 0.15 0.45 0.00 0.00 0.00 175.35 176.29 2ron s SER 7 N 0.10 1.06 0.07 0.03 0.15 -0.41 -5.00 113.70 109.71 2ron s SER 7 Ca -0.07 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.76 2ron s SER 7 Cb -0.14 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 2ron s SER 7 CO 0.04 -0.27 -0.18 0.72 1.20 0.00 0.00 173.24 174.75 2ron s PHE 8 N 2.27 1.55 -0.13 3.44 -0.71 -1.26 0.09 117.98 123.23 2ron s PHE 8 Ca 0.04 -0.41 -0.04 0.00 -1.04 0.00 0.00 56.93 55.48 2ron s PHE 8 Cb -0.13 -0.88 0.05 0.00 -1.21 0.00 0.00 43.02 40.85 2ron s PHE 8 CO -0.07 0.12 0.09 -0.51 -1.34 0.00 0.00 175.22 173.51 2ron s ASP 9 N -1.58 1.85 -1.66 1.98 1.01 -1.26 -4.82 116.67 112.19 2ron s ASP 9 Ca 0.04 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.96 2ron s ASP 9 Cb -0.09 -0.15 0.00 0.00 1.01 0.00 0.00 42.92 43.68 2ron s ASP 9 CO 0.03 -0.31 0.00 0.00 0.21 0.00 0.00 175.17 175.09 2ron n ALA 10 N 5.29 -0.24 -3.86 5.23 0.00 -1.26 -3.25 120.51 122.43 2ron n ALA 10 Ca -0.06 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 2ron n ALA 10 Cb 0.49 -1.68 0.03 0.00 0.00 0.00 0.00 19.45 18.30 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -0.56 -4.83 0.00 0.00 3.41 -1.26 -4.93 113.62 105.44 2ron n SER 11 Ca -0.16 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2ron n SER 11 Cb 0.52 -2.62 0.00 0.00 -0.26 0.00 0.00 64.21 61.85 2ron n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2ron n GLU 12 N -4.56 0.00 -3.40 4.33 4.07 -1.20 -4.89 120.64 114.98 2ron n GLU 12 Ca -0.10 0.49 -0.08 0.00 -0.06 0.00 0.00 57.16 57.41 2ron n GLU 12 Cb 0.58 -1.06 -0.08 0.00 -0.06 0.00 0.00 31.44 30.82 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ron s LYS 13 N -1.27 0.36 0.16 5.31 1.02 -1.26 -4.76 119.74 119.29 2ron s LYS 13 Ca 0.00 0.68 -0.30 0.00 0.02 0.00 0.00 55.97 56.37 2ron s LYS 13 Cb 0.00 -0.23 -0.08 0.00 -0.52 0.00 0.00 37.83 37.01 2ron s LYS 13 CO 0.00 -0.55 1.20 0.99 -0.92 0.00 0.00 175.35 176.07 2ron s THR 14 N 2.58 3.64 -0.32 2.17 2.01 -1.21 -1.48 115.64 123.04 2ron s THR 14 Ca 0.10 1.33 -0.01 0.00 0.31 0.00 0.00 61.69 63.42 2ron s THR 14 Cb -0.15 -3.85 0.10 0.00 0.01 0.00 0.00 72.50 68.62 2ron s THR 14 CO -0.15 0.19 0.12 -1.10 -0.69 0.00 0.00 174.62 172.99 2ron s GLN 15 N 0.04 0.62 -0.56 4.92 -0.21 -0.96 -2.35 119.66 121.15 2ron s GLN 15 Ca 0.54 -1.03 -0.18 0.00 0.02 0.00 0.00 55.36 54.72 2ron s GLN 15 Cb -0.32 -1.78 0.11 0.00 1.00 0.00 0.00 33.01 32.02 2ron s GLN 15 CO 0.35 -1.02 0.60 -1.17 -2.12 0.00 0.00 175.29 171.93 2ron s LEU 16 N 1.60 5.72 -0.26 2.90 0.20 0.29 -1.53 118.68 127.60 2ron s LEU 16 Ca 0.11 -1.56 0.02 0.00 0.69 0.00 0.00 54.13 53.39 2ron s LEU 16 Cb -0.18 -2.26 0.06 0.00 -0.43 0.00 0.00 46.19 43.38 2ron s LEU 16 CO -0.25 -0.98 -0.08 0.27 -0.29 0.00 0.00 176.35 175.03 2ron s ILE 17 N 2.19 1.99 -0.53 6.68 -4.36 -1.05 -1.09 121.20 125.04 2ron s ILE 17 Ca 0.08 -1.60 -0.21 0.00 -0.26 0.00 0.00 60.65 58.66 2ron s ILE 17 Cb -0.26 -2.19 0.05 0.00 1.25 0.00 0.00 42.46 41.31 2ron s ILE 17 CO 0.05 -0.12 0.74 0.00 0.24 0.00 0.00 174.94 175.86 2ron n PHE 19 N 6.65 -2.34 -2.05 0.00 3.72 -1.26 -4.85 117.46 117.32 2ron n PHE 19 Ca -0.04 0.82 -0.28 0.00 -0.05 0.00 0.00 57.45 57.90 2ron n PHE 19 Cb 0.46 -4.17 -0.05 0.00 -0.94 0.00 0.00 39.48 34.78 2ron n PHE 19 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ron s PRO 20 N -4.78 2.57 0.25 -1.08 0.04 -1.26 -4.94 135.00 125.79 2ron s PRO 20 Ca 0.39 -0.17 -0.31 0.00 0.04 0.00 0.00 61.00 60.94 2ron s PRO 20 Cb -0.06 -4.97 -0.12 0.00 0.04 0.00 0.00 34.50 29.38 2ron s PRO 20 CO 0.76 -3.29 1.59 1.97 0.04 0.00 0.00 177.00 178.07 2ron n PHE 21 N 13.79 2.62 0.02 0.56 1.16 -1.26 -4.93 117.46 129.43 2ron n PHE 21 Ca 0.37 0.24 -0.03 0.00 -1.87 0.00 0.00 57.45 56.17 2ron n PHE 21 Cb 0.48 -2.58 -0.02 0.00 -1.61 0.00 0.00 39.48 35.75 2ron n PHE 21 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2ron h ALA 22 N 5.27 -0.65 -0.38 1.98 0.00 -1.96 -3.39 119.26 120.12 2ron h ALA 22 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2ron h ALA 22 Cb 1.23 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2ron h ALA 22 CO 0.84 -0.67 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2ron n GLY 23 N -1.08 2.76 0.00 0.00 0.00 -1.26 -2.34 105.19 103.27 2ron n GLY 23 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.23 -0.02 0.00 -1.26 -4.67 105.19 99.47 2ron n GLY 24 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.35 -0.03 1.61 -0.00 -1.89 -1.04 116.97 115.98 2ron h TYR 25 Ca 0.00 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.73 58.53 2ron h TYR 25 Cb 0.58 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.20 2ron h TYR 25 CO 0.00 0.56 -0.59 1.03 -0.00 0.00 0.00 178.16 179.15 2ron h SER 26 N 0.29 0.11 0.89 0.10 0.87 -1.67 -0.61 113.55 113.53 2ron h SER 26 Ca 0.04 -0.06 -0.23 0.00 -1.23 0.00 0.00 61.79 60.31 2ron h SER 26 Cb 0.61 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 2ron h SER 26 CO 0.04 0.67 -1.10 0.00 -0.53 0.00 0.00 176.83 175.92 2ron h ALA 27 N 1.33 0.33 0.18 6.23 0.00 -1.58 -2.71 119.26 123.04 2ron h ALA 27 Ca -0.01 -0.95 -0.31 0.00 0.00 0.00 0.00 54.91 53.64 2ron h ALA 27 Cb 1.06 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.81 2ron h ALA 27 CO 0.08 1.22 -1.35 0.77 0.00 0.00 0.00 179.25 179.98 2ron h SER 28 N 0.01 0.85 0.17 0.00 0.02 -1.11 -3.30 113.55 110.19 2ron h SER 28 Ca -0.05 -0.84 -0.13 0.00 -0.84 0.00 0.00 61.79 59.93 2ron h SER 28 Cb 1.83 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 2ron h SER 28 CO 0.14 1.64 -0.48 0.15 -1.14 0.00 0.00 176.83 177.14 2ron h PHE 29 N 0.22 0.45 -0.64 3.45 3.04 -1.21 -2.99 116.94 119.25 2ron h PHE 29 Ca -0.22 -0.14 0.06 0.00 3.98 0.00 0.00 57.97 61.65 2ron h PHE 29 Cb 2.03 -0.09 -0.08 0.00 2.56 0.00 0.00 35.95 40.36 2ron h PHE 29 CO 0.12 0.78 -0.44 0.00 -2.02 0.00 0.00 178.31 176.75 2ron h ARG 30 N 0.29 -0.08 -0.03 1.11 2.47 -1.55 0.31 114.38 116.90 2ron h ARG 30 Ca 0.02 0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 2ron h ARG 30 Cb 0.96 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 2ron h ARG 30 CO 0.08 -0.06 -0.48 -1.00 0.56 0.00 0.00 179.97 179.07 2ron h PRO 31 N -0.09 0.07 -0.49 0.04 0.13 -1.72 0.59 132.00 130.53 2ron h PRO 31 Ca 0.10 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 2ron h PRO 31 Cb 0.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 2ron h PRO 31 CO -0.64 0.54 0.27 1.25 -0.23 0.00 0.00 178.00 179.18 2ron h LEU 32 N 0.05 0.61 0.00 1.56 5.85 -0.84 0.37 115.31 122.92 2ron h LEU 32 Ca -0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2ron h LEU 32 Cb 0.88 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 2ron h LEU 32 CO 0.07 0.53 -0.87 1.12 -0.34 0.00 0.00 178.44 178.95 2ron h HIS 33 N 0.65 0.00 0.00 1.25 2.07 -0.43 -2.79 115.15 115.90 2ron h HIS 33 Ca 0.17 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.65 2ron h HIS 33 Cb 0.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.02 2ron h HIS 33 CO -0.02 0.02 -0.22 0.00 -3.07 0.00 0.00 177.93 174.64 2ron h ALA 34 N 1.98 0.87 0.00 6.11 0.00 -0.61 0.31 119.26 127.92 2ron h ALA 34 Ca -0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.36 2ron h ALA 34 Cb 1.02 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2ron h ALA 34 CO 0.00 0.28 -2.32 0.34 0.00 0.00 0.00 179.25 177.55 2ron n PHE 35 N -3.18 0.07 0.00 0.00 7.35 0.10 -4.42 117.46 117.39 2ron n PHE 35 Ca 0.03 0.03 0.01 0.00 -0.76 0.00 0.00 57.45 56.76 2ron n PHE 35 Cb 0.59 -0.99 -0.11 0.00 0.35 0.00 0.00 39.48 39.33 2ron n PHE 35 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2ron n LEU 36 N -2.74 0.52 -4.29 -2.13 7.94 -1.05 -4.98 117.00 110.26 2ron n LEU 36 Ca -0.30 0.22 -0.16 0.00 -1.11 0.00 0.00 56.01 54.67 2ron n LEU 36 Cb 1.12 0.13 -0.10 0.00 0.53 0.00 0.00 43.42 45.09 2ron n LEU 36 CO 0.43 0.15 -0.26 -1.10 -1.11 0.00 0.00 177.39 175.51 2ron s GLN 37 N -3.00 1.36 -0.29 1.96 -0.21 0.11 -5.04 119.66 114.54 2ron s GLN 37 Ca -0.05 -1.73 -0.23 0.00 0.02 0.00 0.00 55.36 53.37 2ron s GLN 37 Cb 0.09 -0.18 0.16 0.00 1.00 0.00 0.00 33.01 34.08 2ron s GLN 37 CO 0.83 -0.30 1.19 0.20 -2.12 0.00 0.00 175.29 175.09 2ron s GLY 38 N -3.28 0.11 -1.11 3.09 0.00 -1.26 -4.03 107.32 100.84 2ron s GLY 38 Ca 0.37 3.13 -0.10 0.00 0.00 0.00 0.00 44.72 48.12 2ron s GLY 38 CO 0.13 2.04 0.87 1.18 0.00 0.00 0.00 173.10 177.32 2ron n GLU 39 N 2.25 -2.45 -4.19 2.90 4.71 -1.26 -5.02 120.64 117.59 2ron n GLU 39 Ca -0.13 0.72 -0.28 0.00 -0.01 0.00 0.00 57.16 57.46 2ron n GLU 39 Cb 0.56 -5.27 -0.03 0.00 -1.01 0.00 0.00 31.44 25.69 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ron s GLU 41 N -4.13 3.23 -0.28 0.00 2.12 -0.55 -4.79 118.70 114.30 2ron s GLU 41 Ca 0.25 1.65 -0.14 0.00 0.36 0.00 0.00 54.97 57.09 2ron s GLU 41 Cb -0.01 -4.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.07 2ron s GLU 41 CO 0.15 -1.99 0.31 0.00 -0.54 0.00 0.00 175.26 173.19 2ron s MET 42 N 5.98 3.96 0.04 4.30 0.23 0.11 -2.26 119.30 131.66 2ron s MET 42 Ca 0.88 -0.12 0.03 0.00 -1.03 0.00 0.00 55.69 55.45 2ron s MET 42 Cb -0.26 -3.67 -0.02 0.00 -1.53 0.00 0.00 34.83 29.35 2ron s MET 42 CO 0.34 -0.26 -0.09 -1.17 -2.03 0.00 0.00 175.02 171.81 2ron s LEU 43 N 1.96 2.21 0.03 0.18 2.96 -0.58 -1.28 118.68 124.16 2ron s LEU 43 Ca 0.12 -0.48 -0.27 0.00 -0.22 0.00 0.00 54.13 53.28 2ron s LEU 43 Cb -0.16 -0.25 0.09 0.00 0.50 0.00 0.00 46.19 46.38 2ron s LEU 43 CO 0.10 -0.13 0.80 0.00 -1.32 0.00 0.00 176.35 175.81 2ron s ALA 44 N -1.14 -1.76 0.69 5.97 0.00 -0.53 -2.54 121.76 122.46 2ron s ALA 44 Ca -0.06 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 2ron s ALA 44 Cb -0.09 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.49 2ron s ALA 44 CO 0.01 -0.67 1.06 0.00 0.00 0.00 0.00 175.76 176.16 2ron s ALA 45 N -3.06 2.66 0.10 0.00 0.00 -0.92 -1.27 121.76 119.25 2ron s ALA 45 Ca 0.03 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 2ron s ALA 45 Cb -0.01 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2ron s ALA 45 CO -0.08 -1.23 0.11 -1.21 0.00 0.00 0.00 175.76 173.34 2ron s GLU 46 N -4.96 0.83 0.91 0.00 2.02 0.88 -4.59 118.70 113.78 2ron s GLU 46 Ca 0.59 -1.17 -0.12 0.00 0.02 0.00 0.00 54.97 54.29 2ron s GLU 46 Cb -0.14 0.29 0.14 0.00 0.10 0.00 0.00 34.13 34.51 2ron s GLU 46 CO 0.54 -0.24 1.09 -1.25 0.02 0.00 0.00 175.26 175.42 2ron s PRO 47 N -3.93 1.17 0.23 0.39 0.04 -1.26 -2.81 135.00 128.82 2ron s PRO 47 Ca 0.11 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2ron s PRO 47 Cb 0.06 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 2ron s PRO 47 CO -0.07 -2.29 1.29 -1.25 0.04 0.00 0.00 177.00 174.72 2ron s PRO 48 N -4.94 4.41 0.00 0.56 0.04 -1.26 -3.72 135.00 130.09 2ron s PRO 48 Ca 0.64 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2ron s PRO 48 Cb -0.18 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2ron s PRO 48 CO 0.57 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.82 2ron n GLY 49 N 2.01 0.05 3.58 0.56 0.00 -1.26 -4.99 105.19 105.14 2ron n GLY 49 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 2ron n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 50 N 0.00 2.31 0.00 1.61 3.76 -1.26 -5.10 115.29 116.61 2ron s HIS 50 Ca 0.00 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2ron s HIS 50 Cb 0.00 -1.62 0.00 0.00 1.11 0.00 0.00 32.58 32.07 2ron s HIS 50 CO 0.00 0.30 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 2ron n GLY 51 N -0.91 0.94 0.76 -2.22 0.00 -1.26 -4.90 105.19 97.60 2ron n GLY 51 Ca -0.05 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 2ron n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ron n THR 52 N 0.98 0.57 -0.51 2.61 -2.24 -1.26 -4.75 114.28 109.69 2ron n THR 52 Ca 0.00 0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.99 2ron n THR 52 Cb 0.00 -1.42 0.26 0.00 -2.10 0.00 0.00 70.33 67.07 2ron n THR 52 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ron n ASN 53 N -3.05 4.34 -4.55 3.42 5.15 -1.26 -4.87 115.26 114.44 2ron n ASN 53 Ca -0.02 -2.84 -0.40 0.00 -0.60 0.00 0.00 54.58 50.72 2ron n ASN 53 Cb 0.06 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.61 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2ron s GLN 54 N -2.38 3.10 -0.10 1.20 -1.52 -1.26 -4.93 119.66 113.77 2ron s GLN 54 Ca 0.42 -0.19 0.04 0.00 -1.95 0.00 0.00 55.36 53.68 2ron s GLN 54 Cb 0.33 -4.41 0.00 0.00 -0.22 0.00 0.00 33.01 28.71 2ron s GLN 54 CO 0.11 -2.32 -0.22 -0.08 -0.25 0.00 0.00 175.29 172.53 2ron s THR 55 N 6.47 1.94 0.05 -0.19 -1.32 -1.26 -3.69 115.64 117.64 2ron s THR 55 Ca 0.44 -0.94 -0.19 0.00 -1.21 0.00 0.00 61.69 59.79 2ron s THR 55 Cb -0.08 -1.69 -0.08 0.00 -1.51 0.00 0.00 72.50 69.14 2ron s THR 55 CO 0.12 0.53 1.30 0.77 -2.21 0.00 0.00 174.62 175.13 2ron h SER 56 N 6.85 -0.84 -3.79 8.08 4.64 -1.94 -3.45 113.55 123.10 2ron h SER 56 Ca -0.23 0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 60.91 2ron h SER 56 Cb 1.22 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 2ron h SER 56 CO 0.48 -0.31 -0.34 0.00 -0.87 0.00 0.00 176.83 175.79 2ron n ALA 57 N -2.67 -0.77 -3.59 5.18 0.00 -1.26 -2.03 120.51 115.36 2ron n ALA 57 Ca -0.05 0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.22 2ron n ALA 57 Cb 0.23 -1.60 0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -3.46 -6.57 -0.21 0.00 2.08 -1.26 -4.91 119.36 105.03 2ron n ILE 58 Ca -0.15 -1.04 0.00 0.00 0.56 0.00 0.00 62.75 62.12 2ron n ILE 58 Cb 0.62 -4.81 0.00 0.00 -0.75 0.00 0.00 39.64 34.70 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 -3.97 -0.45 -0.30 0.38 1.02 -0.86 -4.74 120.64 111.71 2ron n GLU 59 Ca -0.09 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.57 2ron n GLU 59 Cb 0.60 -0.89 0.13 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.81 0.29 1.62 3.04 -1.91 0.22 116.42 120.48 2ron h ASP 60 Ca 0.00 0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 53.80 2ron h ASP 60 Cb 0.16 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 38.29 2ron h ASP 60 CO 0.00 0.52 -0.28 0.25 -2.04 0.00 0.00 179.24 177.69 2ron h LEU 61 N 0.94 -0.78 0.18 0.15 6.46 -1.99 0.24 115.31 120.52 2ron h LEU 61 Ca 0.36 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 58.18 2ron h LEU 61 Cb 0.16 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 2ron h LEU 61 CO -0.17 -0.38 -0.12 -0.08 -0.62 0.00 0.00 178.44 177.07 2ron h GLU 62 N -0.57 -0.29 -0.77 1.25 4.57 -1.87 -0.25 114.58 116.64 2ron h GLU 62 Ca -0.04 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.38 2ron h GLU 62 Cb 0.49 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 2ron h GLU 62 CO -0.03 -0.19 0.55 1.49 -1.18 0.00 0.00 179.01 179.65 2ron h GLU 63 N -0.30 0.01 0.01 1.92 4.57 -0.54 0.16 114.58 120.41 2ron h GLU 63 Ca -0.01 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2ron h GLU 63 Cb 0.26 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2ron h GLU 63 CO 0.00 0.01 -0.00 -0.07 -1.18 0.00 0.00 179.01 177.77 2ron h LEU 64 N 0.01 -0.01 -1.10 1.64 3.38 0.32 -1.41 115.31 118.15 2ron h LEU 64 Ca 0.37 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2ron h LEU 64 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2ron h LEU 64 CO -0.01 0.88 0.00 0.41 0.09 0.00 0.00 178.44 179.81 2ron n THR 65 N -4.66 0.93 -0.11 0.22 -1.04 -0.18 -1.45 114.28 107.98 2ron n THR 65 Ca -0.09 0.49 -0.21 0.00 -2.04 0.00 0.00 64.05 62.19 2ron n THR 65 Cb 0.41 -1.46 -0.10 0.00 -1.82 0.00 0.00 70.33 67.37 2ron n THR 65 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2ron n ASP 66 N -2.27 1.89 0.10 8.00 -0.08 0.46 -1.90 116.55 122.74 2ron n ASP 66 Ca 0.00 0.42 0.09 0.00 -1.51 0.00 0.00 54.79 53.79 2ron n ASP 66 Cb 0.13 -0.90 0.42 0.00 2.34 0.00 0.00 41.12 43.10 2ron n ASP 66 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ron n LEU 67 N -4.40 0.42 -0.10 -2.67 7.99 -0.53 0.30 117.00 118.01 2ron n LEU 67 Ca -0.35 0.64 -0.21 0.00 -0.01 0.00 0.00 56.01 56.08 2ron n LEU 67 Cb 0.68 -0.62 -0.07 0.00 -0.11 0.00 0.00 43.42 43.30 2ron n LEU 67 CO 0.14 -0.60 -1.18 -1.22 -1.51 0.00 0.00 177.39 173.01 2ron n TYR 68 N -2.00 0.00 -0.67 -1.77 4.02 -0.53 -4.56 117.16 111.65 2ron n TYR 68 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.83 2ron n TYR 68 Cb 0.13 -0.72 0.23 0.00 -0.02 0.00 0.00 39.34 38.97 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 -3.82 3.06 -0.32 -0.72 4.76 -0.80 -4.54 118.16 115.79 2ron n LYS 69 Ca -0.39 -2.49 0.29 0.00 -2.87 0.00 0.00 58.31 52.85 2ron n LYS 69 Cb 0.79 -2.04 0.64 0.00 -1.84 0.00 0.00 35.03 32.58 2ron n LYS 69 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 2ron h GLN 70 N 1.99 0.18 -0.89 1.97 3.07 -0.32 0.26 115.11 121.36 2ron h GLN 70 Ca 0.27 -0.01 0.08 0.00 0.09 0.00 0.00 58.65 59.08 2ron h GLN 70 Cb 2.12 -0.04 -0.07 0.00 0.08 0.00 0.00 27.48 29.57 2ron h GLN 70 CO 0.66 0.12 0.54 0.93 0.09 0.00 0.00 178.83 181.16 2ron h GLU 71 N 0.18 0.91 -2.69 0.06 4.39 -1.84 -3.42 114.58 112.17 2ron h GLU 71 Ca 0.58 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 60.10 2ron h GLU 71 Cb 1.90 -0.20 -0.27 0.00 -0.10 0.00 0.00 28.75 30.08 2ron h GLU 71 CO -0.16 0.60 -0.32 -1.17 -1.16 0.00 0.00 179.01 176.80 2ron s LEU 72 N -10.23 -0.03 0.20 1.33 0.20 0.90 -5.13 118.68 105.91 2ron s LEU 72 Ca -0.12 0.84 -0.32 0.00 0.69 0.00 0.00 54.13 55.22 2ron s LEU 72 Cb 0.20 1.26 -0.15 0.00 -0.43 0.00 0.00 46.19 47.07 2ron s LEU 72 CO 0.79 -0.19 1.28 0.59 -0.29 0.00 0.00 176.35 178.53 2ron n ASN 73 N 4.28 1.97 -4.00 3.68 4.13 -1.25 -4.77 115.26 119.29 2ron n ASN 73 Ca -0.23 1.14 -0.13 0.00 1.68 0.00 0.00 54.58 57.03 2ron n ASN 73 Cb 0.55 -1.31 -0.12 0.00 -1.54 0.00 0.00 39.78 37.36 2ron n ASN 73 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2ron s LEU 74 N 0.44 2.16 0.79 3.41 0.20 -1.26 -5.12 118.68 119.30 2ron s LEU 74 Ca 0.72 -0.36 -0.11 0.00 0.69 0.00 0.00 54.13 55.07 2ron s LEU 74 Cb -0.77 -0.15 0.07 0.00 -0.43 0.00 0.00 46.19 44.91 2ron s LEU 74 CO 0.51 -0.12 1.09 -0.13 -0.29 0.00 0.00 176.35 177.41 2ron s ARG 75 N -0.99 2.08 0.00 1.98 0.52 -1.26 -4.96 118.95 116.33 2ron s ARG 75 Ca -0.06 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.22 2ron s ARG 75 Cb -0.07 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2ron s ARG 75 CO -0.00 -1.74 0.00 -0.35 0.02 0.00 0.00 175.30 173.23 2ron n PRO 76 N -3.58 -0.51 -3.82 3.54 -0.04 -1.26 -5.03 135.00 124.30 2ron n PRO 76 Ca 0.09 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.19 2ron n PRO 76 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 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 6.27 0.10 3.54 1.01 -1.26 -5.02 116.67 119.79 2ron s ASP 77 Ca 0.00 0.34 -0.35 0.00 0.71 0.00 0.00 52.55 53.25 2ron s ASP 77 Cb 0.00 -2.07 -0.15 0.00 1.01 0.00 0.00 42.92 41.71 2ron s ASP 77 CO 0.00 0.30 1.56 0.03 0.21 0.00 0.00 175.17 177.27 2ron h ARG 78 N 5.80 -0.77 -6.87 8.23 3.08 -1.92 -3.42 114.38 118.51 2ron h ARG 78 Ca -0.48 0.05 -0.51 0.00 0.07 0.00 0.00 59.98 59.11 2ron h ARG 78 Cb 1.19 0.18 0.05 0.00 0.08 0.00 0.00 29.97 31.47 2ron h ARG 78 CO 0.66 -0.52 0.56 -1.25 -1.07 0.00 0.00 179.97 178.36 2ron s PRO 79 N -5.80 4.38 -0.30 0.04 0.04 -1.26 -4.52 135.00 127.58 2ron s PRO 79 Ca -0.17 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 2ron s PRO 79 Cb 0.06 -3.03 0.16 0.00 0.04 0.00 0.00 34.50 31.73 2ron s PRO 79 CO 0.61 -0.10 0.91 0.12 0.04 0.00 0.00 177.00 178.59 2ron s PHE 80 N -1.20 -0.84 -0.18 0.56 2.19 -0.72 -3.34 117.98 114.46 2ron s PHE 80 Ca 0.49 1.31 -0.00 0.00 0.33 0.00 0.00 56.93 59.06 2ron s PHE 80 Cb -0.36 0.45 0.01 0.00 -1.31 0.00 0.00 43.02 41.81 2ron s PHE 80 CO 0.47 -0.43 -0.15 0.14 1.83 0.00 0.00 175.22 177.08 2ron s VAL 81 N 2.62 2.53 -0.24 3.12 -7.23 -0.99 -3.89 120.40 116.32 2ron s VAL 81 Ca -0.01 -0.79 -0.04 0.00 -1.81 0.00 0.00 61.98 59.33 2ron s VAL 81 Cb -0.08 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2ron s VAL 81 CO -0.17 0.51 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.89 2ron s LEU 82 N 1.18 3.11 -0.48 1.32 0.20 -1.24 -0.55 118.68 122.22 2ron s LEU 82 Ca 0.02 -0.46 -0.06 0.00 0.69 0.00 0.00 54.13 54.32 2ron s LEU 82 Cb -0.14 -1.77 0.13 0.00 -0.43 0.00 0.00 46.19 43.97 2ron s LEU 82 CO -0.07 -0.05 0.32 -0.36 -0.29 0.00 0.00 176.35 175.90 2ron s PHE 83 N 1.48 3.50 0.00 5.38 0.08 -0.25 -4.31 117.98 123.87 2ron s PHE 83 Ca 0.05 -2.20 0.00 0.00 0.12 0.00 0.00 56.93 54.90 2ron s PHE 83 Cb -0.15 -3.37 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 2ron s PHE 83 CO -0.02 -0.97 0.00 0.41 -0.10 0.00 0.00 175.22 174.54 2ron n GLY 84 N 4.57 0.96 4.03 4.36 0.00 -1.26 -3.16 105.19 114.69 2ron n GLY 84 Ca -0.03 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.92 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 1.30 1.34 -0.37 1.61 0.09 -1.26 -4.92 115.29 113.08 2ron s HIS 85 Ca 0.00 -0.68 0.08 0.00 -0.00 0.00 0.00 55.06 54.45 2ron s HIS 85 Cb 0.00 -2.32 0.63 0.00 -0.00 0.00 0.00 32.58 30.89 2ron s HIS 85 CO 0.00 -1.29 1.67 0.43 -0.00 0.00 0.00 174.74 175.55 2ron n SER 86 N -2.36 4.33 -0.01 1.40 7.64 -1.26 -4.07 113.62 119.30 2ron n SER 86 Ca 0.16 -3.08 -0.01 0.00 1.01 0.00 0.00 58.87 56.95 2ron n SER 86 Cb 0.62 -0.73 -0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.19 0.06 -2.77 1.43 2.81 -1.26 -5.03 117.12 112.17 2ron n MET 87 Ca 0.37 0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 56.25 2ron n MET 87 Cb 1.28 -0.44 0.02 0.00 -0.71 0.00 0.00 33.22 33.37 2ron n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ron n GLY 88 N 2.37 1.14 0.00 3.03 0.00 -1.26 -5.07 105.19 105.39 2ron n GLY 88 Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.38 0.00 0.00 -0.02 0.00 -1.26 -4.57 105.19 98.97 2ron n GLY 89 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.31 1.61 2.81 -1.26 -1.46 117.12 118.51 2ron n MET 90 Ca 0.00 0.46 0.14 0.00 -1.81 0.00 0.00 57.70 56.49 2ron n MET 90 Cb 0.00 -1.27 0.37 0.00 -0.71 0.00 0.00 33.22 31.62 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 0.75 0.00 2.02 2.04 -1.97 0.90 117.51 121.25 2ron h ILE 91 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2ron h ILE 91 Cb 0.00 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 2ron h ILE 91 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 178.15 178.69 2ron n THR 92 N -4.63 0.00 -0.26 -0.27 -1.04 -1.05 -0.93 114.28 106.09 2ron n THR 92 Ca 0.21 1.34 -0.00 0.00 -2.04 0.00 0.00 64.05 63.55 2ron n THR 92 Cb 0.56 -2.10 0.20 0.00 -1.82 0.00 0.00 70.33 67.17 2ron n THR 92 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2ron h PHE 93 N 0.00 1.05 -0.52 -1.42 3.04 -1.10 -2.03 116.94 115.96 2ron h PHE 93 Ca 0.00 0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.08 2ron h PHE 93 Cb 0.00 -0.35 -0.10 0.00 2.56 0.00 0.00 35.95 38.06 2ron h PHE 93 CO -0.24 0.67 -0.17 -0.09 -2.02 0.00 0.00 178.31 176.45 2ron h ARG 94 N 1.12 -0.04 0.14 1.11 1.12 -0.57 0.35 114.38 117.61 2ron h ARG 94 Ca 0.30 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.17 2ron h ARG 94 Cb -0.12 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.86 2ron h ARG 94 CO -0.06 -0.03 -0.07 -0.07 -3.11 0.00 0.00 179.97 176.63 2ron h LEU 95 N -0.05 -0.16 0.02 3.80 4.07 -0.71 -2.14 115.31 120.14 2ron h LEU 95 Ca 0.25 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2ron h LEU 95 Cb 0.43 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 2ron h LEU 95 CO -0.56 0.33 -0.15 0.00 -1.08 0.00 0.00 178.44 176.98 2ron h ALA 96 N 0.02 -0.65 -0.55 1.53 0.00 -0.95 0.20 119.26 118.86 2ron h ALA 96 Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2ron h ALA 96 Cb 0.51 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2ron h ALA 96 CO 0.03 -0.69 -0.12 0.37 0.00 0.00 0.00 179.25 178.83 2ron h GLN 97 N -0.20 0.01 -0.07 0.00 5.75 -0.46 -0.75 115.11 119.39 2ron h GLN 97 Ca 0.00 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2ron h GLN 97 Cb 0.21 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 2ron h GLN 97 CO -0.09 0.01 -0.33 -0.22 -2.65 0.00 0.00 178.83 175.54 2ron h LYS 98 N 0.01 -0.43 -0.39 1.69 3.11 -1.02 0.28 116.57 119.83 2ron h LYS 98 Ca 0.27 0.03 0.10 0.00 -2.81 0.00 0.00 60.65 58.24 2ron h LYS 98 Cb 0.41 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 2ron h LYS 98 CO -0.56 -0.29 0.28 1.25 -2.81 0.00 0.00 179.45 177.33 2ron h LEU 99 N -0.44 0.05 0.11 5.20 6.46 0.27 0.26 115.31 127.22 2ron h LEU 99 Ca 0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2ron h LEU 99 Cb 0.56 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2ron h LEU 99 CO -0.32 0.03 -0.05 -0.33 -0.62 0.00 0.00 178.44 177.15 2ron h GLU 100 N 0.05 -0.14 -0.60 1.25 5.08 0.44 0.16 114.58 120.81 2ron h GLU 100 Ca 0.19 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.72 2ron h GLU 100 Cb 0.67 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2ron h GLU 100 CO -0.01 -0.09 0.43 0.07 -1.00 0.00 0.00 179.01 178.40 2ron h ARG 101 N -0.47 0.05 0.00 2.33 0.11 -0.41 0.37 114.38 116.34 2ron h ARG 101 Ca -0.01 -0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 2ron h ARG 101 Cb 0.11 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 2ron h ARG 101 CO 0.02 0.03 -0.94 1.05 0.10 0.00 0.00 179.97 180.24 2ron h GLU 102 N 0.05 0.00 0.00 0.08 -0.00 -0.57 -3.39 114.58 110.74 2ron h GLU 102 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 2ron h GLU 102 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.83 2ron h GLU 102 CO -0.02 0.27 -0.25 0.78 -0.00 0.00 0.00 179.01 179.80 2ron h GLY 103 N 3.73 0.00 -6.91 1.06 0.00 0.25 -3.48 103.07 97.71 2ron h GLY 103 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.94 2ron h GLY 103 CO 0.04 0.00 -0.65 -0.42 0.00 0.00 0.00 176.54 175.51 2ron s ILE 104 N -1.85 -0.25 0.04 2.60 1.09 0.94 -5.00 121.20 118.77 2ron s ILE 104 Ca -0.07 0.20 -0.27 0.00 -1.10 0.00 0.00 60.65 59.41 2ron s ILE 104 Cb 0.01 -0.40 -0.17 0.00 -1.06 0.00 0.00 42.46 40.84 2ron s ILE 104 CO 0.11 0.03 1.44 0.15 -0.10 0.00 0.00 174.94 176.57 2ron h PHE 105 N 8.36 -0.41 -0.49 3.97 3.04 -1.76 -3.37 116.94 126.28 2ron h PHE 105 Ca -0.14 -0.01 -0.33 0.00 3.98 0.00 0.00 57.97 61.47 2ron h PHE 105 Cb 1.13 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.73 2ron h PHE 105 CO 0.34 -0.14 1.05 -1.25 -2.02 0.00 0.00 178.31 176.28 2ron s PRO 106 N -5.31 2.50 0.78 6.41 0.04 -1.26 -4.94 135.00 133.22 2ron s PRO 106 Ca -0.15 -1.10 -0.09 0.00 0.04 0.00 0.00 61.00 59.71 2ron s PRO 106 Cb 0.03 -5.23 0.11 0.00 0.04 0.00 0.00 34.50 29.45 2ron s PRO 106 CO 0.59 -3.93 1.10 1.14 0.04 0.00 0.00 177.00 175.95 2ron s GLN 107 N 6.50 1.70 0.00 4.56 -2.07 -1.26 -4.95 119.66 124.15 2ron s GLN 107 Ca 0.68 -0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.83 2ron s GLN 107 Cb -0.01 -2.09 0.00 0.00 -1.09 0.00 0.00 33.01 29.81 2ron s GLN 107 CO 0.12 -1.60 0.00 0.00 -1.32 0.00 0.00 175.29 172.49 2ron n ALA 108 N -3.16 2.79 -3.64 2.60 0.00 -1.26 -4.94 120.51 112.91 2ron n ALA 108 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 2ron n ALA 108 Cb 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.92 2ron n ALA 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ron s VAL 109 N -0.79 3.01 -0.01 0.00 0.11 -1.25 -0.15 120.40 121.31 2ron s VAL 109 Ca 0.00 -1.33 0.02 0.00 -2.93 0.00 0.00 61.98 57.74 2ron s VAL 109 Cb 0.00 -2.70 0.00 0.00 -1.53 0.00 0.00 36.38 32.15 2ron s VAL 109 CO 0.00 -0.07 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.00 2ron s ILE 110 N 1.27 0.59 -0.04 7.04 -1.09 -0.79 -1.75 121.20 126.43 2ron s ILE 110 Ca -0.05 -0.29 0.07 0.00 -2.23 0.00 0.00 60.65 58.15 2ron s ILE 110 Cb -0.19 -0.52 -0.01 0.00 -1.58 0.00 0.00 42.46 40.15 2ron s ILE 110 CO -0.01 0.18 -0.24 -0.51 -1.23 0.00 0.00 174.94 173.13 2ron s ILE 111 N 0.06 1.95 -0.10 2.92 -1.16 -1.25 -2.99 121.20 120.62 2ron s ILE 111 Ca -0.00 -1.03 0.03 0.00 -0.51 0.00 0.00 60.65 59.14 2ron s ILE 111 Cb -0.06 -1.64 -0.01 0.00 0.61 0.00 0.00 42.46 41.37 2ron s ILE 111 CO -0.00 0.55 -0.20 -0.94 -2.81 0.00 0.00 174.94 171.53 2ron s SER 112 N -0.31 3.41 0.49 4.50 1.04 -1.11 -3.59 113.70 118.13 2ron s SER 112 Ca 0.02 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.00 2ron s SER 112 Cb -0.12 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.59 2ron s SER 112 CO 0.02 0.18 0.02 0.00 0.98 0.00 0.00 173.24 174.43 2ron s ALA 113 N 0.25 3.91 -0.80 5.32 0.00 -1.26 -3.71 121.76 125.47 2ron s ALA 113 Ca -0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2ron s ALA 113 Cb -0.17 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2ron s ALA 113 CO 0.07 -0.06 0.69 -0.89 0.00 0.00 0.00 175.76 175.57 2ron n ILE 114 N -1.20 -6.61 -3.20 0.00 5.41 -1.26 -4.62 119.36 107.88 2ron n ILE 114 Ca -0.17 -0.89 -0.43 0.00 1.00 0.00 0.00 62.75 62.26 2ron n ILE 114 Cb 0.67 -5.40 -0.07 0.00 -0.71 0.00 0.00 39.64 34.13 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 -4.20 3.14 0.83 0.38 -0.21 -1.26 -4.43 119.66 113.91 2ron s GLN 115 Ca 0.28 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.78 2ron s GLN 115 Cb -0.04 -4.03 0.09 0.00 1.00 0.00 0.00 33.01 30.03 2ron s GLN 115 CO 0.55 -1.07 1.09 -1.25 -2.12 0.00 0.00 175.29 172.48 2ron s PRO 116 N 2.50 1.78 0.24 2.91 0.04 -1.26 -2.34 135.00 138.87 2ron s PRO 116 Ca 0.15 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.21 2ron s PRO 116 Cb -0.18 -1.86 0.29 0.00 0.04 0.00 0.00 34.50 32.79 2ron s PRO 116 CO 0.14 -1.93 1.62 -1.00 0.04 0.00 0.00 177.00 175.86 2ron h PRO 117 N -1.33 0.42 -6.72 0.56 0.13 -1.94 -3.43 132.00 119.69 2ron h PRO 117 Ca -0.46 -0.22 -0.57 0.00 -0.87 0.00 0.00 66.00 63.88 2ron h PRO 117 Cb 1.26 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.50 2ron h PRO 117 CO 0.53 0.78 0.48 -2.39 -0.23 0.00 0.00 178.00 177.18 2ron n HIS 118 N -4.00 2.21 -4.16 1.56 1.44 -1.26 -4.89 115.22 106.12 2ron n HIS 118 Ca -0.02 0.56 -0.15 0.00 -2.01 0.00 0.00 57.72 56.10 2ron n HIS 118 Cb 0.52 -2.40 -0.11 0.00 0.12 0.00 0.00 29.99 28.12 2ron n HIS 118 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2ron s ILE 119 N -1.07 0.91 0.07 0.61 1.09 -1.26 -4.79 121.20 116.76 2ron s ILE 119 Ca 0.56 -1.49 -0.31 0.00 -1.10 0.00 0.00 60.65 58.31 2ron s ILE 119 Cb -0.58 -1.19 -0.09 0.00 -1.06 0.00 0.00 42.46 39.54 2ron s ILE 119 CO 0.62 -0.47 1.74 -1.58 -0.10 0.00 0.00 174.94 175.15 2ron s GLN 120 N -2.42 4.17 -0.23 2.79 -0.44 -1.26 -4.63 119.66 117.64 2ron s GLN 120 Ca 0.02 2.43 -0.37 0.00 -2.50 0.00 0.00 55.36 54.94 2ron s GLN 120 Cb -0.05 -3.70 -0.13 0.00 -1.64 0.00 0.00 33.01 27.48 2ron s GLN 120 CO 0.00 -0.80 1.88 2.89 0.50 0.00 0.00 175.29 179.76 2ron n ARG 121 N 6.00 1.49 -4.08 1.67 1.85 -1.25 -4.92 116.66 117.43 2ron n ARG 121 Ca 0.17 0.53 -0.15 0.00 -1.00 0.00 0.00 57.85 57.40 2ron n ARG 121 Cb 0.40 -2.36 -0.04 0.00 -1.05 0.00 0.00 32.46 29.41 2ron n ARG 121 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2ron s LYS 122 N 4.27 1.96 -0.06 2.89 1.02 -1.26 -5.07 119.74 123.47 2ron s LYS 122 Ca 0.99 -1.77 0.05 0.00 0.02 0.00 0.00 55.97 55.26 2ron s LYS 122 Cb -0.90 0.45 -0.02 0.00 -0.52 0.00 0.00 37.83 36.85 2ron s LYS 122 CO 0.58 -0.82 -0.21 0.15 -0.92 0.00 0.00 175.35 174.13 2ron s LYS 123 N -2.96 2.62 0.02 1.68 3.01 -1.26 -4.75 119.74 118.10 2ron s LYS 123 Ca 0.30 -0.83 -0.28 0.00 -1.01 0.00 0.00 55.97 54.15 2ron s LYS 123 Cb -0.01 -2.26 0.08 0.00 -1.01 0.00 0.00 37.83 34.63 2ron s LYS 123 CO 0.21 0.43 0.74 0.54 0.51 0.00 0.00 175.35 177.77 2ron s VAL 124 N -0.25 0.00 -0.38 3.17 0.11 -1.26 -5.03 120.40 116.75 2ron s VAL 124 Ca -0.00 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2ron s VAL 124 Cb -0.13 -1.00 0.58 0.00 -1.53 0.00 0.00 36.38 34.30 2ron s VAL 124 CO 0.03 0.00 1.59 -1.20 -3.33 0.00 0.00 175.10 172.19 2ron n SER 125 N 0.20 4.13 0.00 3.54 7.64 -1.26 -4.59 113.62 123.28 2ron n SER 125 Ca -0.15 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.74 2ron n SER 125 Cb 0.61 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2ron n SER 125 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2ron n HIS 126 N -0.16 0.00 -4.38 1.43 -0.00 -1.26 -4.91 115.22 105.94 2ron n HIS 126 Ca 0.34 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.86 2ron n HIS 126 Cb 1.21 -0.40 -0.10 0.00 -0.00 0.00 0.00 29.99 30.69 2ron n HIS 126 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ron s LEU 127 N -3.40 2.55 0.00 0.27 1.43 -1.26 -5.02 118.68 113.25 2ron s LEU 127 Ca 0.00 -1.00 0.14 0.00 -1.03 0.00 0.00 54.13 52.24 2ron s LEU 127 Cb 0.00 -0.81 0.66 0.00 0.03 0.00 0.00 46.19 46.08 2ron s LEU 127 CO 0.00 -0.10 1.44 -0.81 0.23 0.00 0.00 176.35 177.11 2ron n PRO 128 N -0.36 0.08 0.00 1.29 -0.04 -1.26 -2.50 135.00 132.21 2ron n PRO 128 Ca -0.08 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2ron n PRO 128 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.42 0.76 -0.35 3.54 8.00 -1.26 -4.81 116.55 121.01 2ron n ASP 129 Ca 0.05 -1.37 0.04 0.00 0.71 0.00 0.00 54.79 54.22 2ron n ASP 129 Cb 0.15 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.44 2ron n ASP 129 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2ron h ASP 130 N 0.00 0.92 -0.13 -2.24 3.04 -1.86 -1.98 116.42 114.17 2ron h ASP 130 Ca 0.00 0.03 -0.19 0.00 -3.24 0.00 0.00 57.03 53.63 2ron h ASP 130 Cb 0.77 -0.16 0.01 0.00 -1.04 0.00 0.00 39.33 38.91 2ron h ASP 130 CO 0.00 0.54 -0.66 -0.61 -2.04 0.00 0.00 179.24 176.47 2ron h GLN 131 N 1.03 0.68 -0.64 4.15 4.15 -1.85 -1.77 115.11 120.85 2ron h GLN 131 Ca 0.45 -0.55 0.11 0.00 0.77 0.00 0.00 58.65 59.43 2ron h GLN 131 Cb 0.32 0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.04 2ron h GLN 131 CO -0.22 1.17 0.21 0.35 -1.93 0.00 0.00 178.83 178.41 2ron h PHE 132 N 0.36 0.35 0.00 3.99 3.57 -1.72 -0.16 116.94 123.32 2ron h PHE 132 Ca -0.05 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2ron h PHE 132 Cb 1.30 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 2ron h PHE 132 CO 0.10 0.04 -0.52 1.37 -2.23 0.00 0.00 178.31 177.07 2ron h LEU 133 N 0.36 0.00 -1.65 0.59 8.10 -1.42 -1.97 115.31 119.31 2ron h LEU 133 Ca 0.34 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.31 2ron h LEU 133 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 2ron h LEU 133 CO -0.37 0.52 -0.02 -0.78 -4.11 0.00 0.00 178.44 173.68 2ron h ASP 134 N 0.00 0.18 0.09 0.17 1.82 -0.11 -1.82 116.42 116.75 2ron h ASP 134 Ca -0.01 -0.02 -0.36 0.00 -0.39 0.00 0.00 57.03 56.26 2ron h ASP 134 Cb 1.34 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 41.24 2ron h ASP 134 CO 0.07 0.23 -2.27 0.00 -1.61 0.00 0.00 179.24 175.66 2ron n HIS 135 N -4.40 0.23 0.25 0.28 1.44 -0.81 -3.86 115.22 108.35 2ron n HIS 135 Ca -0.01 0.08 0.09 0.00 -2.01 0.00 0.00 57.72 55.86 2ron n HIS 135 Cb 0.17 -1.04 0.62 0.00 0.12 0.00 0.00 29.99 29.86 2ron n HIS 135 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 2ron h ILE 136 N 0.00 0.90 -6.96 0.61 6.09 -1.17 -3.46 117.51 113.53 2ron h ILE 136 Ca -0.50 -0.48 -0.57 0.00 -1.37 0.00 0.00 64.86 61.94 2ron h ILE 136 Cb 2.15 1.27 -0.14 0.00 0.47 0.00 0.00 36.82 40.58 2ron h ILE 136 CO 0.02 0.13 -0.91 2.30 -3.07 0.00 0.00 178.15 176.62 2ron n ILE 137 N -4.11 -1.41 0.06 2.19 -5.35 -0.70 -4.80 119.36 105.24 2ron n ILE 137 Ca -0.02 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.97 2ron n ILE 137 Cb 0.21 -1.29 0.00 0.00 -1.74 0.00 0.00 39.64 36.82 2ron n ILE 137 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ron n GLN 138 N -4.48 0.00 -3.49 6.28 1.13 -1.26 -4.44 117.38 111.13 2ron n GLN 138 Ca -0.24 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.61 2ron n GLN 138 Cb 0.60 -0.16 0.06 0.00 0.11 0.00 0.00 30.24 30.85 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2ron n LEU 139 N -3.09 -4.14 0.00 1.08 7.99 -1.26 -2.80 117.00 114.78 2ron n LEU 139 Ca 0.00 -0.81 0.00 0.00 -0.01 0.00 0.00 56.01 55.19 2ron n LEU 139 Cb 0.00 -2.86 0.00 0.00 -0.11 0.00 0.00 43.42 40.45 2ron n LEU 139 CO 0.00 0.30 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 2ron n GLY 140 N -1.42 2.27 0.00 -0.72 0.00 -1.26 -4.85 105.19 99.21 2ron n GLY 140 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.09 0.50 2.54 -0.02 0.00 -1.12 -5.13 105.19 101.87 2ron n GLY 141 Ca 0.00 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 2ron n GLY 141 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ron s MET 142 N 0.00 0.52 -0.17 1.61 0.00 -1.19 -5.00 119.30 115.07 2ron s MET 142 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 55.69 54.31 2ron s MET 142 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 34.83 33.67 2ron s MET 142 CO 0.00 -1.18 1.57 -1.25 0.00 0.00 0.00 175.02 174.17 2ron s PRO 143 N 1.31 3.96 -0.29 4.11 0.04 -1.26 -4.39 135.00 138.48 2ron s PRO 143 Ca 0.16 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 2ron s PRO 143 Cb -0.20 -3.98 0.15 0.00 0.04 0.00 0.00 34.50 30.50 2ron s PRO 143 CO -0.05 -1.09 1.00 0.00 0.04 0.00 0.00 177.00 176.90 2ron s ALA 144 N 4.64 -2.28 0.00 8.56 0.00 -1.26 -5.03 121.76 126.38 2ron s ALA 144 Ca 0.69 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.82 2ron s ALA 144 Cb -0.27 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.14 2ron s ALA 144 CO 0.27 -0.33 0.00 0.39 0.00 0.00 0.00 175.76 176.09 2ron n GLU 145 N 3.54 0.23 -0.16 0.00 1.02 -1.26 -4.86 120.64 119.15 2ron n GLU 145 Ca -0.18 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.02 2ron n GLU 145 Cb 0.57 -0.68 0.09 0.00 -0.02 0.00 0.00 31.44 31.40 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 -1.72 1.68 -0.00 -4.62 -0.00 -1.26 -4.65 117.00 106.42 2ron n LEU 146 Ca 0.00 -2.36 0.07 0.00 -0.00 0.00 0.00 56.01 53.71 2ron n LEU 146 Cb 0.18 -0.27 -0.10 0.00 -0.00 0.00 0.00 43.42 43.23 2ron n LEU 146 CO 0.00 0.55 -0.42 1.33 -0.00 0.00 0.00 177.39 178.85 2ron n VAL 147 N -0.95 0.00 0.28 1.47 0.24 -1.26 -4.43 118.33 113.69 2ron n VAL 147 Ca 0.10 -0.27 0.18 0.00 -2.04 0.00 0.00 64.34 62.32 2ron n VAL 147 Cb 0.60 0.50 0.97 0.00 -1.47 0.00 0.00 33.84 34.44 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 0.17 7.34 4.11 -1.91 -0.47 114.58 123.83 2ron h GLU 148 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2ron h GLU 148 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ron h GLU 148 CO 0.00 0.00 -0.08 -0.91 0.07 0.00 0.00 179.01 178.09 2ron h ASN 149 N 0.00 -0.20 0.06 3.06 4.21 -1.93 -1.40 115.58 119.38 2ron h ASN 149 Ca 0.03 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.55 2ron h ASN 149 Cb 0.29 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2ron h ASN 149 CO -0.00 0.15 0.00 0.07 -1.29 0.00 0.00 177.43 176.36 2ron h LYS 150 N -0.82 0.00 0.05 0.81 2.10 -1.77 -2.31 116.57 114.63 2ron h LYS 150 Ca -0.02 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.48 2ron h LYS 150 Cb 0.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2ron h LYS 150 CO 0.04 0.00 -0.77 0.93 -2.00 0.00 0.00 179.45 177.65 2ron h GLU 151 N 0.00 0.10 0.00 0.07 3.07 -1.15 -2.47 114.58 114.20 2ron h GLU 151 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 2ron h GLU 151 Cb 0.03 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2ron h GLU 151 CO 0.00 1.08 0.00 -0.24 -1.40 0.00 0.00 179.01 178.45 2ron h VAL 152 N -0.75 0.00 0.01 3.13 3.04 -0.71 0.56 116.25 121.53 2ron h VAL 152 Ca -0.18 -0.06 -0.35 0.00 -1.01 0.00 0.00 66.70 65.10 2ron h VAL 152 Cb 1.35 0.82 -0.06 0.00 -2.01 0.00 0.00 31.29 31.39 2ron h VAL 152 CO -0.02 0.00 -2.20 1.15 -1.01 0.00 0.00 177.57 175.50 2ron n MET 153 N -2.67 0.67 0.00 4.17 0.00 -0.98 -4.15 117.12 114.17 2ron n MET 153 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.80 2ron n MET 153 Cb 0.09 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.70 2ron n MET 153 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2ron n SER 154 N -2.95 0.00 -0.34 3.17 3.41 -0.69 -4.56 113.62 111.66 2ron n SER 154 Ca -0.30 0.00 0.36 0.00 -0.26 0.00 0.00 58.87 58.66 2ron n SER 154 Cb 1.10 -0.43 0.75 0.00 -0.26 0.00 0.00 64.21 65.37 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2ron h PHE 155 N 0.00 0.03 -4.64 7.33 -1.00 -0.10 -3.42 116.94 115.14 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 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.55 2ron h PHE 155 CO 0.00 0.00 -0.13 0.34 -1.61 0.00 0.00 178.31 176.91 2ron n PHE 156 N -4.18 -2.23 -0.82 -0.55 -0.00 -0.55 -4.17 117.46 104.96 2ron n PHE 156 Ca 0.27 0.87 -0.33 0.00 -0.00 0.00 0.00 57.45 58.25 2ron n PHE 156 Cb 1.28 -3.33 0.11 0.00 -0.00 0.00 0.00 39.48 37.54 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 -1.10 -1.41 0.00 -2.13 -0.00 -1.26 -4.60 117.00 106.51 2ron n LEU 157 Ca 0.03 0.25 -0.07 0.00 -0.00 0.00 0.00 56.01 56.22 2ron n LEU 157 Cb 0.43 -1.10 0.11 0.00 -0.00 0.00 0.00 43.42 42.87 2ron n LEU 157 CO 0.36 -3.92 0.58 1.55 -0.00 0.00 0.00 177.39 175.96 2ron h PRO 158 N -1.53 0.53 -5.49 1.47 0.13 -1.87 -3.42 132.00 121.82 2ron h PRO 158 Ca -0.45 -0.27 -0.41 0.00 -0.87 0.00 0.00 66.00 64.00 2ron h PRO 158 Cb 1.30 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ron h PRO 158 CO 0.33 0.86 1.47 0.45 -0.23 0.00 0.00 178.00 180.87 2ron n SER 159 N -4.02 1.93 -0.12 1.44 2.88 -1.26 -4.78 113.62 109.69 2ron n SER 159 Ca -0.02 -0.55 -0.13 0.00 -1.33 0.00 0.00 58.87 56.84 2ron n SER 159 Cb 0.53 -1.49 -0.02 0.00 -0.75 0.00 0.00 64.21 62.47 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2ron h PHE 160 N 17.73 1.05 -0.20 0.66 0.04 -1.97 -2.40 116.94 131.85 2ron h PHE 160 Ca -0.18 -0.30 0.03 0.00 2.80 0.00 0.00 57.97 60.32 2ron h PHE 160 Cb 1.24 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 39.10 2ron h PHE 160 CO 1.01 1.11 -0.52 -0.09 -0.60 0.00 0.00 178.31 179.21 2ron h ARG 161 N 0.69 -0.49 0.16 1.51 9.65 -1.98 0.77 114.38 124.70 2ron h ARG 161 Ca 0.07 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2ron h ARG 161 Cb 0.91 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2ron h ARG 161 CO 0.08 -0.33 -0.08 0.66 2.80 0.00 0.00 179.97 183.11 2ron h SER 162 N -0.51 -0.18 0.02 -3.80 4.64 -1.97 -2.19 113.55 109.56 2ron h SER 162 Ca 0.04 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2ron h SER 162 Cb 0.63 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2ron h SER 162 CO -0.46 -0.05 -0.03 -0.78 -0.87 0.00 0.00 176.83 174.64 2ron h ASP 163 N -0.31 -0.09 -0.98 4.97 3.58 -1.03 0.45 116.42 123.00 2ron h ASP 163 Ca -0.02 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.53 2ron h ASP 163 Cb 0.24 0.03 -0.12 0.00 1.72 0.00 0.00 39.33 41.20 2ron h ASP 163 CO 0.04 -0.04 -0.57 1.88 -2.88 0.00 0.00 179.24 177.66 2ron h TYR 164 N -0.06 -1.83 -0.63 0.28 -1.99 0.49 1.19 116.97 114.42 2ron h TYR 164 Ca -0.00 0.13 0.09 0.00 2.00 0.00 0.00 58.73 60.94 2ron h TYR 164 Cb 0.05 0.93 -0.07 0.00 2.00 0.00 0.00 36.73 39.64 2ron h TYR 164 CO -0.16 -0.38 0.27 -0.09 -0.00 0.00 0.00 178.16 177.81 2ron h ARG 165 N -0.01 0.47 0.00 4.88 2.43 -1.30 0.36 114.38 121.21 2ron h ARG 165 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2ron h ARG 165 Cb 0.43 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2ron h ARG 165 CO -0.93 0.31 0.00 0.00 -1.51 0.00 0.00 179.97 177.84 2ron n ALA 166 N -2.43 2.53 -0.09 2.80 0.00 0.16 0.03 120.51 123.50 2ron n ALA 166 Ca 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2ron n ALA 166 Cb 0.25 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 2ron n ALA 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ron n LEU 167 N -1.04 1.87 0.00 0.00 7.94 0.37 -4.82 117.00 121.31 2ron n LEU 167 Ca 0.20 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2ron n LEU 167 Cb 0.11 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.34 2ron n LEU 167 CO 0.17 -0.09 0.29 -0.62 -1.11 0.00 0.00 177.39 176.02 2ron n GLU 168 N -4.33 0.83 -3.77 1.96 1.02 0.66 -5.04 120.64 111.97 2ron n GLU 168 Ca -0.23 -0.74 -0.34 0.00 -0.02 0.00 0.00 57.16 55.84 2ron n GLU 168 Cb 0.58 -0.73 0.04 0.00 -0.02 0.00 0.00 31.44 31.31 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2ron n GLN 169 N -0.16 -1.22 0.00 3.49 6.02 0.10 -4.89 117.38 120.73 2ron n GLN 169 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 2ron n GLN 169 Cb 0.31 -3.89 0.00 0.00 1.02 0.00 0.00 30.24 27.69 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 -4.35 0.00 -2.96 1.08 -0.00 -1.26 -4.97 117.46 105.01 2ron n PHE 170 Ca -0.11 -0.34 -0.40 0.00 -0.00 0.00 0.00 57.45 56.60 2ron n PHE 170 Cb 0.59 -0.03 -0.05 0.00 -0.00 0.00 0.00 39.48 39.99 2ron n PHE 170 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2ron s GLU 171 N -0.68 4.54 0.43 -4.13 0.41 -1.26 -4.97 118.70 113.03 2ron s GLU 171 Ca 0.00 1.13 0.04 0.00 -0.41 0.00 0.00 54.97 55.73 2ron s GLU 171 Cb 0.00 -3.33 -0.02 0.00 -1.78 0.00 0.00 34.13 29.00 2ron s GLU 171 CO 0.00 0.36 0.13 -0.51 -0.49 0.00 0.00 175.26 174.75 2ron s LEU 172 N -0.38 2.01 0.64 1.80 1.43 -1.26 -4.95 118.68 117.97 2ron s LEU 172 Ca 0.38 -1.71 0.39 0.00 -1.03 0.00 0.00 54.13 52.16 2ron s LEU 172 Cb -0.22 -0.12 2.18 0.00 0.03 0.00 0.00 46.19 48.07 2ron s LEU 172 CO 0.25 -0.96 2.31 1.88 0.23 0.00 0.00 176.35 180.05 2ron h TYR 173 N 1.72 0.00 -3.25 0.29 0.05 -2.05 -3.39 116.97 110.34 2ron h TYR 173 Ca -0.35 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 57.88 2ron h TYR 173 Cb 1.28 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.67 2ron h TYR 173 CO 1.62 0.00 -0.82 -0.51 -1.05 0.00 0.00 178.16 177.40 2ron s ASP 174 N -5.45 2.24 0.00 3.88 1.01 -1.26 -4.97 116.67 112.12 2ron s ASP 174 Ca -0.05 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.85 2ron s ASP 174 Cb 0.14 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 43.11 2ron s ASP 174 CO 0.45 -0.04 0.56 0.00 0.21 0.00 0.00 175.17 176.35 2ron n LEU 175 N 4.45 0.80 -4.75 1.23 -0.00 -1.26 -5.08 117.00 112.39 2ron n LEU 175 Ca -0.17 -0.80 -0.29 0.00 -0.00 0.00 0.00 56.01 54.75 2ron n LEU 175 Cb 0.51 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 44.06 2ron n LEU 175 CO 0.21 0.20 0.69 0.00 -0.00 0.00 0.00 177.39 178.49 2ron s ALA 176 N -0.31 1.63 -1.07 1.47 0.00 -1.26 -4.32 121.76 117.89 2ron s ALA 176 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 2ron s ALA 176 Cb 0.00 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 2ron s ALA 176 CO 0.00 -2.32 0.92 1.04 0.00 0.00 0.00 175.76 175.41 2ron n GLN 177 N -3.82 -2.71 -3.68 0.00 3.00 -1.16 -4.98 117.38 104.03 2ron n GLN 177 Ca 0.06 0.85 -0.20 0.00 -0.01 0.00 0.00 57.00 57.71 2ron n GLN 177 Cb 0.57 -5.78 -0.18 0.00 0.00 0.00 0.00 30.24 24.85 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2ron s ILE 178 N -3.39 -0.09 -0.29 5.09 1.01 -1.26 -5.06 121.20 117.21 2ron s ILE 178 Ca 0.41 0.40 -0.19 0.00 0.00 0.00 0.00 60.65 61.27 2ron s ILE 178 Cb -0.06 -0.16 0.13 0.00 0.01 0.00 0.00 42.46 42.39 2ron s ILE 178 CO 0.74 0.17 0.97 0.00 0.00 0.00 0.00 174.94 176.83 2ron s GLN 179 N 2.07 0.44 0.03 2.79 -2.07 -1.26 -3.04 119.66 118.62 2ron s GLN 179 Ca 0.04 0.68 0.00 0.00 -1.82 0.00 0.00 55.36 54.26 2ron s GLN 179 Cb -0.12 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 31.93 2ron s GLN 179 CO -0.03 -0.08 0.00 0.43 -1.32 0.00 0.00 175.29 174.29 2ron n SER 180 N 3.27 -0.23 -3.02 12.60 7.64 -1.26 -4.80 113.62 127.82 2ron n SER 180 Ca -0.17 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2ron n SER 180 Cb 0.57 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ron n PRO 181 N -2.79 -0.00 -4.11 1.43 -0.04 -1.26 -4.00 135.00 124.23 2ron n PRO 181 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2ron n PRO 181 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 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 -0.50 1.58 0.03 0.52 1.01 0.79 -2.41 120.40 121.43 2ron s VAL 182 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2ron s VAL 182 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2ron s VAL 182 CO 0.00 0.46 -0.11 -1.00 0.00 0.00 0.00 175.10 174.45 2ron s HIS 183 N 1.38 0.94 -0.00 5.22 3.76 -0.82 -1.89 115.29 123.88 2ron s HIS 183 Ca 0.03 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2ron s HIS 183 Cb -0.13 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 32.99 2ron s HIS 183 CO -0.09 -0.00 -0.00 0.08 -0.85 0.00 0.00 174.74 173.87 2ron s VAL 184 N -0.83 0.03 0.25 -0.90 1.01 -1.16 -3.61 120.40 115.19 2ron s VAL 184 Ca -0.01 -0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.07 2ron s VAL 184 Cb -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 2ron s VAL 184 CO 0.01 0.01 -0.19 -0.36 0.00 0.00 0.00 175.10 174.57 2ron s PHE 185 N 0.05 2.15 0.18 5.22 0.40 -0.19 -2.76 117.98 123.02 2ron s PHE 185 Ca -0.00 -0.39 -0.24 0.00 -0.60 0.00 0.00 56.93 55.70 2ron s PHE 185 Cb -0.01 -0.96 0.06 0.00 0.51 0.00 0.00 43.02 42.62 2ron s PHE 185 CO -0.00 0.60 0.94 0.54 0.70 0.00 0.00 175.22 178.00 2ron s ASN 186 N -3.34 -0.16 0.92 1.36 4.22 -1.24 -1.70 114.94 114.99 2ron s ASN 186 Ca 0.27 -0.48 0.00 0.00 -2.14 0.00 0.00 52.86 50.51 2ron s ASN 186 Cb -0.04 0.52 0.00 0.00 1.28 0.00 0.00 41.25 43.01 2ron s ASN 186 CO 0.12 -0.98 0.00 0.61 -2.04 0.00 0.00 177.10 174.81 2ron n GLY 187 N -0.50 0.58 4.21 0.45 0.00 0.49 -4.24 105.19 106.18 2ron n GLY 187 Ca -0.06 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.80 -0.19 0.99 -0.00 -0.99 -3.41 117.00 112.60 2ron n LEU 188 Ca 0.00 -0.97 -0.01 0.00 -0.00 0.00 0.00 56.01 55.03 2ron n LEU 188 Cb 0.00 -1.57 0.09 0.00 -0.00 0.00 0.00 43.42 41.95 2ron n LEU 188 CO 0.00 0.10 0.98 0.44 -0.00 0.00 0.00 177.39 178.91 2ron h ASP 189 N -0.80 0.22 0.00 1.45 3.32 -1.89 -3.13 116.42 115.59 2ron h ASP 189 Ca -0.51 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2ron h ASP 189 Cb 1.33 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2ron h ASP 189 CO 0.76 0.14 0.00 0.47 -1.72 0.00 0.00 179.24 178.88 2ron n ASP 190 N -4.99 0.00 -4.51 6.45 8.00 -1.26 -1.26 116.55 118.98 2ron n ASP 190 Ca 0.08 0.89 -0.35 0.00 0.71 0.00 0.00 54.79 56.11 2ron n ASP 190 Cb 0.25 -0.39 -0.12 0.00 -0.02 0.00 0.00 41.12 40.85 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2ron s LYS 191 N -2.55 3.75 -0.00 -1.24 2.47 -1.18 -3.06 119.74 117.93 2ron s LYS 191 Ca 0.00 -0.45 0.00 0.00 -1.56 0.00 0.00 55.97 53.97 2ron s LYS 191 Cb 0.00 -3.22 -0.00 0.00 -1.46 0.00 0.00 37.83 33.14 2ron s LYS 191 CO 0.00 0.02 -0.00 0.36 0.16 0.00 0.00 175.35 175.89 2ron n LYS 192 N 4.27 2.84 -0.09 4.03 2.85 -1.25 -4.66 118.16 126.16 2ron n LYS 192 Ca -0.16 0.00 0.22 0.00 -1.05 0.00 0.00 58.31 57.32 2ron n LYS 192 Cb 0.52 -1.01 0.67 0.00 -0.65 0.00 0.00 35.03 34.55 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 0.07 1.26 0.69 0.00 2.10 -1.98 0.49 117.51 120.15 2ron h ILE 194 Ca 0.33 -1.06 -0.03 0.00 1.08 0.00 0.00 64.86 65.18 2ron h ILE 194 Cb 1.20 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2ron h ILE 194 CO -0.03 0.39 -0.36 -0.09 -1.08 0.00 0.00 178.15 176.99 2ron h ARG 195 N 0.99 -0.93 0.00 2.19 9.65 -1.18 0.13 114.38 125.23 2ron h ARG 195 Ca 0.19 0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 59.10 2ron h ARG 195 Cb 0.47 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2ron h ARG 195 CO 0.02 -0.62 -0.17 0.22 2.80 0.00 0.00 179.97 182.22 2ron h ASP 196 N -0.97 0.00 0.04 -3.80 3.58 -1.52 0.43 116.42 114.18 2ron h ASP 196 Ca -0.09 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 2ron h ASP 196 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2ron h ASP 196 CO 0.14 0.17 -0.02 0.00 -2.88 0.00 0.00 179.24 176.65 2ron h ALA 197 N 1.83 -0.39 0.00 -0.78 0.00 -0.48 -2.05 119.26 117.40 2ron h ALA 197 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ron h ALA 197 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ron h ALA 197 CO 0.02 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.28 2ron n GLU 198 N -2.30 0.02 0.02 0.00 -0.58 0.41 -1.85 120.64 116.37 2ron n GLU 198 Ca -0.01 0.17 -0.22 0.00 -0.42 0.00 0.00 57.16 56.68 2ron n GLU 198 Cb 0.02 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.25 2ron n GLU 198 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2ron h GLY 199 N 3.29 0.32 1.56 0.62 0.00 -0.22 -3.36 103.07 105.27 2ron h GLY 199 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2ron h GLY 199 CO 0.00 0.71 -0.42 -0.25 0.00 0.00 0.00 176.54 176.58 2ron h TRP 200 N -0.21 0.00 -0.77 5.60 2.91 -1.32 -3.32 115.95 118.84 2ron h TRP 200 Ca -0.31 0.00 0.14 0.00 1.13 0.00 0.00 58.89 59.84 2ron h TRP 200 Cb 1.84 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 30.44 2ron h TRP 200 CO 0.12 0.00 0.51 1.57 -1.03 0.00 0.00 178.44 179.61 2ron h LYS 201 N 0.00 0.49 0.00 2.65 5.09 -1.52 0.19 116.57 123.47 2ron h LYS 201 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 2ron h LYS 201 Cb 0.95 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.18 2ron h LYS 201 CO 0.00 0.32 -0.66 0.36 -2.09 0.00 0.00 179.45 177.38 2ron n LYS 202 N -4.50 0.13 -1.86 0.07 2.85 -1.25 -4.93 118.16 108.68 2ron n LYS 202 Ca 0.14 0.02 -0.15 0.00 -1.05 0.00 0.00 58.31 57.28 2ron n LYS 202 Cb 0.48 -1.57 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.75 -0.71 -3.72 5.58 7.02 0.65 -2.99 117.44 121.52 2ron n TRP 203 Ca 0.04 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.16 2ron n TRP 203 Cb 0.38 -2.94 -0.07 0.00 -2.42 0.00 0.00 31.31 26.26 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 -2.47 3.72 -0.24 6.99 0.00 -1.26 -4.55 121.76 123.95 2ron s ALA 204 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2ron s ALA 204 Cb 0.00 -2.17 0.10 0.00 0.00 0.00 0.00 23.12 21.05 2ron s ALA 204 CO 0.00 0.29 0.18 -1.59 0.00 0.00 0.00 175.76 174.64 2ron s LYS 205 N -0.08 0.19 1.02 0.00 -2.85 -1.17 -4.94 119.74 111.91 2ron s LYS 205 Ca 0.12 -0.14 -0.15 0.00 -1.00 0.00 0.00 55.97 54.80 2ron s LYS 205 Cb -0.12 -1.23 0.05 0.00 -2.06 0.00 0.00 37.83 34.47 2ron s LYS 205 CO 0.02 -0.84 0.17 -0.25 0.10 0.00 0.00 175.35 174.55 2ron n ASP 206 N 5.29 -2.38 -0.02 0.03 8.00 -1.26 -4.64 116.55 121.57 2ron n ASP 206 Ca -0.05 0.15 0.24 0.00 0.71 0.00 0.00 54.79 55.83 2ron n ASP 206 Cb 0.47 -1.08 0.72 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.72 0.41 -2.69 0.53 6.09 -1.61 -3.30 117.51 115.23 2ron h ILE 207 Ca -0.47 0.00 -0.54 0.00 -1.37 0.00 0.00 64.86 62.48 2ron h ILE 207 Cb 1.31 0.57 -0.39 0.00 0.47 0.00 0.00 36.82 38.78 2ron h ILE 207 CO 0.35 0.00 -0.80 -0.89 -3.07 0.00 0.00 178.15 173.74 2ron s THR 208 N -4.73 -0.01 -0.04 2.19 2.01 -1.25 -5.06 115.64 108.75 2ron s THR 208 Ca -0.04 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 60.94 2ron s THR 208 Cb 0.17 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2ron s THR 208 CO 0.62 -0.81 -0.25 0.72 -0.69 0.00 0.00 174.62 174.21 2ron s PHE 209 N 1.75 2.40 -0.25 4.92 -0.71 -1.25 -1.94 117.98 122.91 2ron s PHE 209 Ca 0.12 -0.54 -0.02 0.00 -1.04 0.00 0.00 56.93 55.45 2ron s PHE 209 Cb -0.18 -1.55 0.13 0.00 -1.21 0.00 0.00 43.02 40.20 2ron s PHE 209 CO -0.23 -0.10 0.34 -1.58 -1.34 0.00 0.00 175.22 172.31 2ron s HIS 210 N -0.42 -0.71 -0.17 3.49 2.46 -1.24 -5.03 115.29 113.67 2ron s HIS 210 Ca 0.04 0.57 -0.12 0.00 0.47 0.00 0.00 55.06 56.03 2ron s HIS 210 Cb -0.12 -0.11 -0.05 0.00 -0.13 0.00 0.00 32.58 32.17 2ron s HIS 210 CO 0.01 -0.74 0.21 1.14 -2.47 0.00 0.00 174.74 172.89 2ron s GLN 211 N 2.49 4.14 -0.32 2.88 -2.07 -1.26 -1.02 119.66 124.50 2ron s GLN 211 Ca 0.11 -0.05 0.03 0.00 -1.82 0.00 0.00 55.36 53.63 2ron s GLN 211 Cb -0.15 -3.40 0.09 0.00 -1.09 0.00 0.00 33.01 28.46 2ron s GLN 211 CO -0.18 0.33 0.02 0.12 -1.32 0.00 0.00 175.29 174.26 2ron s PHE 212 N 0.24 3.31 -0.08 9.60 5.36 -0.69 -4.95 117.98 130.77 2ron s PHE 212 Ca 0.13 -2.64 0.01 0.00 -0.96 0.00 0.00 56.93 53.47 2ron s PHE 212 Cb -0.12 -2.51 -0.03 0.00 -0.34 0.00 0.00 43.02 40.02 2ron s PHE 212 CO 0.02 -0.92 -0.08 0.16 -1.46 0.00 0.00 175.22 172.94 2ron s ASP 213 N 1.07 4.51 0.00 6.13 1.47 -1.26 -0.38 116.67 128.20 2ron s ASP 213 Ca 0.07 -0.09 0.00 0.00 1.18 0.00 0.00 52.55 53.71 2ron s ASP 213 Cb -0.19 -1.22 0.00 0.00 -0.34 0.00 0.00 42.92 41.17 2ron s ASP 213 CO -0.10 0.32 0.00 0.61 0.68 0.00 0.00 175.17 176.68 2ron n GLY 214 N 2.49 -0.05 0.00 2.12 0.00 -1.22 -4.70 105.19 103.83 2ron n GLY 214 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N 2.07 0.73 0.26 -0.02 0.00 -0.40 -4.90 105.19 102.93 2ron n GLY 215 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 0.15 -0.77 1.61 8.25 -0.39 -3.80 115.22 120.27 2ron n HIS 216 Ca 0.00 -0.36 -0.33 0.00 -0.26 0.00 0.00 57.72 56.78 2ron n HIS 216 Cb 0.00 -0.03 0.13 0.00 1.12 0.00 0.00 29.99 31.21 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 0.04 -0.62 -0.14 -0.41 0.00 -1.17 -4.36 117.12 110.46 2ron n MET 217 Ca 0.04 -0.15 0.27 0.00 0.00 0.00 0.00 57.70 57.87 2ron n MET 217 Cb 0.27 -1.79 0.72 0.00 0.00 0.00 0.00 33.22 32.42 2ron n MET 217 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2ron h PHE 218 N -1.68 0.00 0.00 1.12 3.57 -1.89 0.84 116.94 118.90 2ron h PHE 218 Ca -0.46 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 60.65 2ron h PHE 218 Cb 1.30 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.98 2ron h PHE 218 CO 0.32 0.00 -2.35 1.28 -2.23 0.00 0.00 178.31 175.33 2ron n LEU 219 N -4.25 2.20 -0.05 0.59 7.99 -1.26 -4.13 117.00 118.09 2ron n LEU 219 Ca 0.17 0.14 0.24 0.00 -0.01 0.00 0.00 56.01 56.55 2ron n LEU 219 Cb 0.91 -0.75 0.72 0.00 -0.11 0.00 0.00 43.42 44.18 2ron n LEU 219 CO 0.38 0.65 1.21 -0.07 -1.51 0.00 0.00 177.39 178.06 2ron h LEU 220 N -0.55 0.00 -0.06 2.23 3.38 -1.78 0.22 115.31 118.74 2ron h LEU 220 Ca -0.58 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.14 2ron h LEU 220 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2ron h LEU 220 CO -0.27 0.00 -1.06 0.77 0.09 0.00 0.00 178.44 177.98 2ron h SER 221 N 0.00 0.48 0.15 -0.43 4.64 -0.93 -3.34 113.55 114.11 2ron h SER 221 Ca 0.30 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2ron h SER 221 Cb 1.31 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2ron h SER 221 CO -0.00 1.27 -0.07 -0.61 -0.87 0.00 0.00 176.83 176.54 2ron h GLN 222 N 0.16 -0.19 -5.85 4.77 5.75 -0.78 -3.39 115.11 115.58 2ron h GLN 222 Ca -0.10 0.01 -0.61 0.00 -0.15 0.00 0.00 58.65 57.80 2ron h GLN 222 Cb 1.73 0.04 -0.12 0.00 1.07 0.00 0.00 27.48 30.20 2ron h GLN 222 CO 0.18 0.23 1.17 0.99 -2.65 0.00 0.00 178.83 178.75 2ron s THR 223 N -3.97 4.10 0.29 2.39 2.01 -0.34 -4.82 115.64 115.30 2ron s THR 223 Ca -0.14 -0.68 0.24 0.00 0.31 0.00 0.00 61.69 61.42 2ron s THR 223 Cb 0.01 -4.93 0.23 0.00 0.01 0.00 0.00 72.50 67.82 2ron s THR 223 CO 0.55 -1.78 1.92 1.05 -0.69 0.00 0.00 174.62 175.68 2ron h GLU 224 N 9.61 0.00 0.26 4.92 4.11 -1.78 -3.12 114.58 128.58 2ron h GLU 224 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2ron h GLU 224 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2ron h GLU 224 CO 1.30 0.21 -0.18 0.93 0.07 0.00 0.00 179.01 181.34 2ron h GLU 225 N 0.00 -0.41 -0.75 1.06 4.39 -1.92 -1.22 114.58 115.73 2ron h GLU 225 Ca -0.00 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.86 2ron h GLU 225 Cb 0.58 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.23 2ron h GLU 225 CO 0.03 -0.27 0.31 0.28 -1.16 0.00 0.00 179.01 178.20 2ron h VAL 226 N -0.42 0.69 0.05 3.13 2.07 -1.94 -0.03 116.25 119.79 2ron h VAL 226 Ca -0.03 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2ron h VAL 226 Cb 0.35 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2ron h VAL 226 CO 0.02 0.09 -0.12 0.00 0.02 0.00 0.00 177.57 177.58 2ron h ALA 227 N 1.53 -0.69 -0.24 1.67 0.00 -1.46 -0.96 119.26 119.11 2ron h ALA 227 Ca 0.41 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2ron h ALA 227 Cb 0.59 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2ron h ALA 227 CO -0.38 -0.72 0.26 0.93 0.00 0.00 0.00 179.25 179.34 2ron h GLU 228 N -0.18 0.00 -0.46 0.00 4.39 -0.99 -0.67 114.58 116.67 2ron h GLU 228 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2ron h GLU 228 Cb 0.17 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2ron h GLU 228 CO -0.05 0.00 0.09 -0.09 -1.16 0.00 0.00 179.01 177.80 2ron h ARG 229 N 0.00 0.76 -0.12 2.33 1.12 0.11 0.20 114.38 118.78 2ron h ARG 229 Ca 0.11 -0.20 -0.20 0.00 -1.11 0.00 0.00 59.98 58.58 2ron h ARG 229 Cb 0.64 -0.09 0.01 0.00 -0.01 0.00 0.00 29.97 30.52 2ron h ARG 229 CO -0.00 0.77 -0.71 0.82 -3.11 0.00 0.00 179.97 177.73 2ron h ILE 230 N 0.63 1.31 -0.17 1.20 1.08 0.12 -2.70 117.51 118.98 2ron h ILE 230 Ca 0.14 -1.95 -0.02 0.00 -0.39 0.00 0.00 64.86 62.63 2ron h ILE 230 Cb 0.37 2.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 2ron h ILE 230 CO 0.01 0.61 0.01 0.15 -0.69 0.00 0.00 178.15 178.23 2ron h PHE 231 N 0.39 0.31 0.72 1.37 3.04 -1.32 -1.53 116.94 119.91 2ron h PHE 231 Ca -0.05 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.81 2ron h PHE 231 Cb 1.35 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 2ron h PHE 231 CO 0.10 0.49 -0.49 0.00 -2.02 0.00 0.00 178.31 176.38 2ron h ALA 232 N 0.78 -1.25 -0.70 2.41 0.00 -0.68 -0.74 119.26 119.09 2ron h ALA 232 Ca 0.05 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2ron h ALA 232 Cb 0.36 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2ron h ALA 232 CO 0.01 -1.22 0.47 0.97 0.00 0.00 0.00 179.25 179.48 2ron h ILE 233 N -1.15 0.80 -0.33 0.00 6.09 -1.54 0.59 117.51 121.97 2ron h ILE 233 Ca -0.10 -0.12 -0.11 0.00 -1.37 0.00 0.00 64.86 63.17 2ron h ILE 233 Cb 0.94 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 2ron h ILE 233 CO 0.06 0.06 -0.24 0.25 -3.07 0.00 0.00 178.15 175.21 2ron h LEU 234 N 0.35 0.65 -0.30 2.19 7.12 -0.75 0.40 115.31 124.97 2ron h LEU 234 Ca 0.34 -0.23 -0.08 0.00 0.13 0.00 0.00 57.88 58.04 2ron h LEU 234 Cb 0.84 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.78 2ron h LEU 234 CO -0.09 0.88 -0.39 -1.13 -0.13 0.00 0.00 178.44 177.58 2ron h ASN 235 N 0.56 0.00 -0.15 1.25 -1.24 0.55 -3.12 115.58 113.43 2ron h ASN 235 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 2ron h ASN 235 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.76 2ron h ASN 235 CO 0.05 0.39 0.00 0.00 -1.29 0.00 0.00 177.43 176.58 2ron n GLN 236 N -3.27 2.13 -0.21 6.67 -0.00 -0.36 -4.45 117.38 117.89 2ron n GLN 236 Ca 0.02 -1.93 -0.10 0.00 -0.00 0.00 0.00 57.00 54.98 2ron n GLN 236 Cb 0.64 -1.43 -0.06 0.00 -0.00 0.00 0.00 30.24 29.38 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2ron h HIS 237 N 4.16 -1.47 0.00 2.61 2.76 -0.13 0.23 115.15 123.31 2ron h HIS 237 Ca 0.00 0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2ron h HIS 237 Cb 0.91 0.72 -0.00 0.00 1.55 0.00 0.00 27.41 30.59 2ron h HIS 237 CO 0.09 -0.44 -0.05 -1.00 -1.30 0.00 0.00 177.93 175.23 2ron h PRO 238 N -0.26 0.00 -6.55 5.26 0.13 -1.82 -3.43 132.00 125.33 2ron h PRO 238 Ca 0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.76 2ron h PRO 238 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2ron h PRO 238 CO -0.69 0.05 0.37 0.42 -0.23 0.00 0.00 178.00 177.92 2ron s ILE 239 N -3.71 4.50 -0.10 -3.56 1.01 0.82 -4.94 121.20 115.22 2ron s ILE 239 Ca 0.01 2.04 0.16 0.00 0.00 0.00 0.00 60.65 62.86 2ron s ILE 239 Cb 0.10 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 38.02 2ron s ILE 239 CO 0.56 0.29 0.39 2.30 0.00 0.00 0.00 174.94 178.48 2ron n ILE 240 N 2.91 0.00 -1.26 2.92 -5.35 -1.26 -4.93 119.36 112.38 2ron n ILE 240 Ca 0.03 -0.35 -0.36 0.00 -0.27 0.00 0.00 62.75 61.80 2ron n ILE 240 Cb 0.49 0.22 0.07 0.00 -1.74 0.00 0.00 39.64 38.69 2ron n ILE 240 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ron n GLN 241 N -1.99 0.31 0.00 6.28 1.13 -1.26 -5.22 117.38 116.63 2ron n GLN 241 Ca -0.02 0.15 0.08 0.00 -1.94 0.00 0.00 57.00 55.26 2ron n GLN 241 Cb 0.40 -1.87 0.46 0.00 0.11 0.00 0.00 30.24 29.35 2ron n GLN 241 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27