#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ron n SER 2 N 0.00 1.72 -4.70 7.83 7.64 -1.07 -3.56 113.62 121.47 2ron n SER 2 Ca 0.00 -0.04 -0.30 0.00 1.01 0.00 0.00 58.87 59.54 2ron n SER 2 Cb 0.00 -1.31 0.14 0.00 -1.01 0.00 0.00 64.21 62.04 2ron n SER 2 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2ron s GLN 3 N 7.85 1.21 -0.30 1.43 0.74 -1.15 -2.71 119.66 126.72 2ron s GLN 3 Ca 1.12 0.95 -0.09 0.00 0.05 0.00 0.00 55.36 57.38 2ron s GLN 3 Cb -0.68 -1.79 0.17 0.00 1.10 0.00 0.00 33.01 31.81 2ron s GLN 3 CO 0.39 -2.31 0.81 -1.17 -0.55 0.00 0.00 175.29 172.46 2ron s LEU 4 N -6.29 -0.93 0.33 3.68 2.96 -1.26 -1.82 118.68 115.34 2ron s LEU 4 Ca 0.64 0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 2ron s LEU 4 Cb -0.19 1.91 -0.06 0.00 0.50 0.00 0.00 46.19 48.35 2ron s LEU 4 CO 0.57 -0.18 0.65 0.12 -1.32 0.00 0.00 176.35 176.20 2ron s PHE 5 N 2.78 3.46 -0.14 5.38 5.36 -0.52 -4.95 117.98 129.35 2ron s PHE 5 Ca 0.04 0.88 -0.30 0.00 -0.96 0.00 0.00 56.93 56.58 2ron s PHE 5 Cb -0.11 -2.29 0.12 0.00 -0.34 0.00 0.00 43.02 40.40 2ron s PHE 5 CO -0.18 0.07 0.98 -1.59 -1.46 0.00 0.00 175.22 173.05 2ron s LYS 6 N -3.52 0.62 -0.31 10.12 -2.85 -1.26 -1.96 119.74 120.58 2ron s LYS 6 Ca 0.48 0.08 -0.03 0.00 -1.00 0.00 0.00 55.97 55.50 2ron s LYS 6 Cb -0.11 0.29 0.19 0.00 -2.06 0.00 0.00 37.83 36.15 2ron s LYS 6 CO 0.28 -0.21 0.84 -1.12 0.10 0.00 0.00 175.35 175.24 2ron s SER 7 N -1.33 -0.97 0.32 0.03 0.01 -0.13 -4.97 113.70 106.65 2ron s SER 7 Ca -0.01 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.26 2ron s SER 7 Cb -0.01 1.53 -0.03 0.00 0.21 0.00 0.00 66.02 67.72 2ron s SER 7 CO 0.00 -0.16 0.48 0.72 0.41 0.00 0.00 173.24 174.69 2ron s PHE 8 N 2.67 3.42 -0.21 2.43 -0.71 -1.26 -2.10 117.98 122.22 2ron s PHE 8 Ca 0.19 0.14 -0.05 0.00 -1.04 0.00 0.00 56.93 56.17 2ron s PHE 8 Cb -0.04 -1.82 0.11 0.00 -1.21 0.00 0.00 43.02 40.05 2ron s PHE 8 CO -0.21 0.18 0.38 0.16 -1.34 0.00 0.00 175.22 174.39 2ron s ASP 9 N -4.05 0.08 -2.17 1.98 -4.77 -1.26 -4.87 116.67 101.61 2ron s ASP 9 Ca 0.39 0.56 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2ron s ASP 9 Cb -0.09 1.15 0.00 0.00 -1.09 0.00 0.00 42.92 42.89 2ron s ASP 9 CO 0.33 -0.27 0.00 0.00 0.70 0.00 0.00 175.17 175.93 2ron n ALA 10 N 5.37 -0.31 -3.91 2.11 0.00 -1.26 -2.25 120.51 120.26 2ron n ALA 10 Ca -0.06 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 2ron n ALA 10 Cb 0.50 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.36 -3.40 0.00 0.00 3.41 -1.26 -4.87 113.62 106.13 2ron n SER 11 Ca -0.20 -0.77 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2ron n SER 11 Cb 0.68 -2.80 0.00 0.00 -0.26 0.00 0.00 64.21 61.83 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 -4.12 0.00 -3.47 4.33 -0.58 -0.96 -4.77 120.64 111.07 2ron n GLU 12 Ca 0.05 0.63 -0.08 0.00 -0.42 0.00 0.00 57.16 57.34 2ron n GLU 12 Cb 0.50 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.79 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2ron s LYS 13 N -2.99 0.34 0.06 3.49 3.01 -1.26 -4.84 119.74 117.55 2ron s LYS 13 Ca 0.00 0.76 -0.31 0.00 -1.01 0.00 0.00 55.97 55.41 2ron s LYS 13 Cb 0.00 -0.11 -0.07 0.00 -1.01 0.00 0.00 37.83 36.64 2ron s LYS 13 CO 0.00 -0.48 1.54 0.99 0.51 0.00 0.00 175.35 177.92 2ron s THR 14 N 2.58 3.25 -0.28 2.17 2.01 -1.19 -1.27 115.64 122.92 2ron s THR 14 Ca 0.07 0.72 0.02 0.00 0.31 0.00 0.00 61.69 62.81 2ron s THR 14 Cb -0.14 -3.46 0.08 0.00 0.01 0.00 0.00 72.50 68.99 2ron s THR 14 CO -0.15 0.01 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.19 2ron s GLN 15 N 2.35 1.62 -0.21 4.92 0.74 -0.83 -1.98 119.66 126.26 2ron s GLN 15 Ca 0.70 -1.32 -0.06 0.00 0.05 0.00 0.00 55.36 54.72 2ron s GLN 15 Cb -0.37 -2.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 2ron s GLN 15 CO 0.30 -0.73 0.04 -1.17 -0.55 0.00 0.00 175.29 173.18 2ron s LEU 16 N 1.22 3.43 0.34 3.68 0.20 0.36 -1.87 118.68 126.04 2ron s LEU 16 Ca -0.00 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.70 2ron s LEU 16 Cb -0.19 -1.88 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 2ron s LEU 16 CO -0.09 0.06 0.39 0.27 -0.29 0.00 0.00 176.35 176.69 2ron s ILE 17 N 1.05 0.00 -0.30 6.68 -4.36 -1.07 -0.99 121.20 122.21 2ron s ILE 17 Ca 0.03 -1.79 -0.09 0.00 -0.26 0.00 0.00 60.65 58.55 2ron s ILE 17 Cb -0.14 -2.59 0.17 0.00 1.25 0.00 0.00 42.46 41.14 2ron s ILE 17 CO 0.02 0.00 0.80 0.00 0.24 0.00 0.00 174.94 176.00 2ron n PHE 19 N 5.35 -1.93 -1.06 0.00 3.72 -1.26 -4.73 117.46 117.55 2ron n PHE 19 Ca -0.06 0.51 -0.30 0.00 -0.05 0.00 0.00 57.45 57.54 2ron n PHE 19 Cb 0.52 -3.54 0.25 0.00 -0.94 0.00 0.00 39.48 35.77 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 -5.91 -1.61 -0.17 -1.08 0.04 -1.26 -4.93 135.00 120.08 2ron s PRO 20 Ca 0.43 -0.20 -0.13 0.00 0.04 0.00 0.00 61.00 61.14 2ron s PRO 20 Cb -0.15 -1.56 0.05 0.00 0.04 0.00 0.00 34.50 32.88 2ron s PRO 20 CO 0.85 -3.94 0.43 -0.59 0.04 0.00 0.00 177.00 173.79 2ron s PHE 21 N -3.01 -0.55 0.02 0.56 -0.71 -1.26 -5.08 117.98 107.95 2ron s PHE 21 Ca 0.72 1.24 -0.06 0.00 -1.04 0.00 0.00 56.93 57.79 2ron s PHE 21 Cb -0.07 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 2ron s PHE 21 CO 0.56 -0.29 1.10 0.00 -1.34 0.00 0.00 175.22 175.25 2ron h ALA 22 N 6.21 -0.69 -0.43 1.99 0.00 -1.98 -3.40 119.26 120.95 2ron h ALA 22 Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ron h ALA 22 Cb 1.18 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2ron h ALA 22 CO 0.26 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 179.21 2ron n GLY 23 N -1.09 2.43 0.00 0.00 0.00 -1.26 -2.32 105.19 102.94 2ron n GLY 23 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.27 -0.02 0.00 -1.26 -4.67 105.19 99.51 2ron n GLY 24 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2ron n GLY 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ron h TYR 25 N 0.00 0.37 -0.03 1.61 -0.00 -1.89 0.11 116.97 117.14 2ron h TYR 25 Ca 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.73 58.57 2ron h TYR 25 Cb 0.55 -0.11 -0.01 0.00 -0.00 0.00 0.00 36.73 37.15 2ron h TYR 25 CO 0.00 0.37 -0.63 1.03 -0.00 0.00 0.00 178.16 178.93 2ron h SER 26 N 0.37 0.15 1.44 0.10 0.87 -1.68 0.82 113.55 115.62 2ron h SER 26 Ca 0.09 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2ron h SER 26 Cb 0.21 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2ron h SER 26 CO 0.00 0.74 -0.57 0.00 -0.53 0.00 0.00 176.83 176.47 2ron h ALA 27 N 1.26 0.74 0.14 6.23 0.00 -1.49 -2.34 119.26 123.80 2ron h ALA 27 Ca -0.01 -0.31 -0.35 0.00 0.00 0.00 0.00 54.91 54.25 2ron h ALA 27 Cb 1.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2ron h ALA 27 CO 0.09 0.38 -1.83 1.03 0.00 0.00 0.00 179.25 178.92 2ron h SER 28 N 0.00 0.45 0.30 0.00 0.87 -0.87 -3.37 113.55 110.92 2ron h SER 28 Ca -0.03 -0.92 -0.21 0.00 -1.23 0.00 0.00 61.79 59.40 2ron h SER 28 Cb 1.24 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ron h SER 28 CO 0.03 1.80 -0.86 0.15 -0.53 0.00 0.00 176.83 177.42 2ron h PHE 29 N -0.02 0.60 -0.42 2.24 3.04 -0.96 -2.87 116.94 118.55 2ron h PHE 29 Ca -0.39 -0.30 0.06 0.00 3.98 0.00 0.00 57.97 61.32 2ron h PHE 29 Cb 1.99 -0.08 -0.09 0.00 2.56 0.00 0.00 35.95 40.33 2ron h PHE 29 CO 0.09 1.10 -0.53 -0.09 -2.02 0.00 0.00 178.31 176.86 2ron h ARG 30 N 0.26 -0.36 -0.15 1.11 2.43 -1.59 0.27 114.38 116.35 2ron h ARG 30 Ca -0.06 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 2ron h ARG 30 Cb 1.47 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 2ron h ARG 30 CO 0.15 -0.24 -0.45 -1.00 -1.51 0.00 0.00 179.97 176.91 2ron h PRO 31 N -0.38 0.36 -0.11 0.20 0.13 -1.73 0.48 132.00 130.95 2ron h PRO 31 Ca 0.09 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2ron h PRO 31 Cb 0.59 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2ron h PRO 31 CO -0.60 0.74 0.07 1.25 -0.23 0.00 0.00 178.00 179.23 2ron h LEU 32 N 0.29 0.13 0.00 1.56 5.85 -1.04 -2.07 115.31 120.04 2ron h LEU 32 Ca 0.02 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2ron h LEU 32 Cb 0.91 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2ron h LEU 32 CO 0.08 0.15 -0.43 1.12 -0.34 0.00 0.00 178.44 179.02 2ron h HIS 33 N 0.11 0.00 -0.21 1.25 2.07 -0.51 -2.63 115.15 115.23 2ron h HIS 33 Ca 0.04 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.49 2ron h HIS 33 Cb 0.04 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 2ron h HIS 33 CO -0.05 0.30 -0.19 0.00 -3.07 0.00 0.00 177.93 174.92 2ron h ALA 34 N 1.70 1.29 0.00 6.11 0.00 -0.62 0.27 119.26 128.01 2ron h ALA 34 Ca -0.01 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 2ron h ALA 34 Cb 1.24 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2ron h ALA 34 CO 0.04 0.47 -1.71 0.34 0.00 0.00 0.00 179.25 178.39 2ron n PHE 35 N -4.19 0.64 -0.06 0.00 7.35 -0.80 -4.39 117.46 116.01 2ron n PHE 35 Ca -0.00 0.22 -0.13 0.00 -0.76 0.00 0.00 57.45 56.77 2ron n PHE 35 Cb 0.34 -0.99 -0.12 0.00 0.35 0.00 0.00 39.48 39.06 2ron n PHE 35 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2ron h LEU 36 N 0.00 -0.00 -9.28 -2.13 5.85 -1.31 -3.48 115.31 104.95 2ron h LEU 36 Ca -0.22 -0.90 -0.54 0.00 0.84 0.00 0.00 57.88 57.06 2ron h LEU 36 Cb 1.65 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.55 2ron h LEU 36 CO 0.04 0.92 -0.50 0.00 -0.34 0.00 0.00 178.44 178.56 2ron s GLN 37 N -2.36 1.90 -0.16 1.25 -2.07 0.94 -5.07 119.66 114.08 2ron s GLN 37 Ca -0.18 -2.15 -0.29 0.00 -1.82 0.00 0.00 55.36 50.93 2ron s GLN 37 Cb -0.02 -0.27 0.10 0.00 -1.09 0.00 0.00 33.01 31.72 2ron s GLN 37 CO 0.65 -0.56 0.87 0.20 -1.32 0.00 0.00 175.29 175.13 2ron s GLY 38 N -3.54 -0.38 -1.09 2.60 0.00 -1.26 -4.14 107.32 99.52 2ron s GLY 38 Ca 0.29 1.93 -0.07 0.00 0.00 0.00 0.00 44.72 46.87 2ron s GLY 38 CO 0.19 1.24 0.91 1.18 0.00 0.00 0.00 173.10 176.62 2ron n GLU 39 N 1.28 -2.83 -3.84 2.90 1.02 -1.26 -5.02 120.64 112.89 2ron n GLU 39 Ca -0.14 0.81 -0.21 0.00 -0.02 0.00 0.00 57.16 57.61 2ron n GLU 39 Cb 0.57 -5.64 -0.03 0.00 -0.02 0.00 0.00 31.44 26.32 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ron s GLU 41 N -3.98 4.13 -0.03 0.00 2.12 -0.40 -4.80 118.70 115.74 2ron s GLU 41 Ca 0.39 2.59 0.06 0.00 0.36 0.00 0.00 54.97 58.37 2ron s GLU 41 Cb -0.07 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 2ron s GLU 41 CO 0.27 -0.78 -0.21 -1.64 -0.54 0.00 0.00 175.26 172.35 2ron s MET 42 N 1.80 1.97 0.02 4.30 -1.94 -0.89 -1.97 119.30 122.58 2ron s MET 42 Ca 0.77 -0.77 -0.28 0.00 -1.71 0.00 0.00 55.69 53.70 2ron s MET 42 Cb -0.48 -1.78 0.07 0.00 2.01 0.00 0.00 34.83 34.65 2ron s MET 42 CO 0.34 0.39 0.66 -0.48 -0.01 0.00 0.00 175.02 175.92 2ron s LEU 43 N -0.29 -0.63 0.00 -0.03 0.05 -0.78 -0.96 118.68 116.04 2ron s LEU 43 Ca 0.02 0.49 -0.17 0.00 0.05 0.00 0.00 54.13 54.52 2ron s LEU 43 Cb -0.10 2.55 0.03 0.00 -2.05 0.00 0.00 46.19 46.62 2ron s LEU 43 CO 0.01 -0.72 0.37 0.00 -0.55 0.00 0.00 176.35 175.46 2ron s ALA 44 N -2.00 -0.93 0.24 1.48 0.00 -0.83 -2.58 121.76 117.14 2ron s ALA 44 Ca -0.07 0.38 -0.23 0.00 0.00 0.00 0.00 51.96 52.03 2ron s ALA 44 Cb -0.00 0.17 -0.09 0.00 0.00 0.00 0.00 23.12 23.20 2ron s ALA 44 CO 0.03 -0.34 0.81 0.00 0.00 0.00 0.00 175.76 176.25 2ron s ALA 45 N -1.78 3.36 0.26 0.00 0.00 0.12 -1.44 121.76 122.28 2ron s ALA 45 Ca -0.10 0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.30 2ron s ALA 45 Cb -0.03 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 2ron s ALA 45 CO 0.02 0.27 -0.16 -1.21 0.00 0.00 0.00 175.76 174.68 2ron s GLU 46 N -1.75 1.55 0.73 0.00 0.41 -0.76 -4.14 118.70 114.75 2ron s GLU 46 Ca 0.43 -1.72 -0.12 0.00 -0.41 0.00 0.00 54.97 53.15 2ron s GLU 46 Cb -0.19 -1.48 0.03 0.00 -1.78 0.00 0.00 34.13 30.71 2ron s GLU 46 CO 0.24 0.24 1.10 -1.25 -0.49 0.00 0.00 175.26 175.10 2ron s PRO 47 N -3.58 2.47 0.99 0.39 0.04 -1.26 -3.29 135.00 130.75 2ron s PRO 47 Ca 0.27 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2ron s PRO 47 Cb -0.02 -1.92 0.25 0.00 0.04 0.00 0.00 34.50 32.84 2ron s PRO 47 CO 0.12 -1.49 0.88 -0.35 0.04 0.00 0.00 177.00 176.20 2ron n PRO 48 N -3.08 -2.73 -2.47 0.56 -0.04 -1.26 -2.94 135.00 123.04 2ron n PRO 48 Ca 0.10 -1.40 -0.23 0.00 -0.04 0.00 0.00 63.50 61.92 2ron n PRO 48 Cb 0.53 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.68 2ron n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ron n GLY 49 N -3.34 5.23 3.47 0.55 0.00 -1.23 -4.83 105.19 105.04 2ron n GLY 49 Ca 0.12 -2.49 -0.18 0.00 0.00 0.00 0.00 46.02 43.48 2ron n GLY 49 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 50 N -0.44 -2.15 -3.63 1.61 8.25 -1.26 -4.94 115.22 112.67 2ron n HIS 50 Ca 0.34 0.92 0.01 0.00 -0.26 0.00 0.00 57.72 58.73 2ron n HIS 50 Cb 0.72 -4.92 -0.01 0.00 1.12 0.00 0.00 29.99 26.90 2ron n HIS 50 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2ron s GLY 51 N -4.31 -0.40 -0.10 -1.41 0.00 -1.26 -5.01 107.32 94.83 2ron s GLY 51 Ca 0.02 0.67 0.14 0.00 0.00 0.00 0.00 44.72 45.56 2ron s GLY 51 CO 0.74 0.12 1.14 -0.37 0.00 0.00 0.00 173.10 174.73 2ron n THR 52 N -0.48 1.19 0.25 0.90 5.66 -1.26 -0.02 114.28 120.52 2ron n THR 52 Ca -0.08 -1.78 0.18 0.00 -3.05 0.00 0.00 64.05 59.32 2ron n THR 52 Cb 0.63 0.16 0.89 0.00 -1.55 0.00 0.00 70.33 70.46 2ron n THR 52 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 2ron h ASN 53 N 0.45 0.00 -5.57 1.09 -1.24 -1.97 -3.42 115.58 104.93 2ron h ASN 53 Ca -0.04 0.00 0.24 0.00 0.71 0.00 0.00 56.30 57.21 2ron h ASN 53 Cb 1.26 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.24 2ron h ASN 53 CO 0.02 0.00 0.69 0.00 -1.29 0.00 0.00 177.43 176.85 2ron s GLN 54 N -4.46 0.89 -0.27 6.67 -2.07 -1.26 -4.91 119.66 114.24 2ron s GLN 54 Ca -0.04 -0.54 -0.22 0.00 -1.82 0.00 0.00 55.36 52.73 2ron s GLN 54 Cb 0.14 0.27 0.08 0.00 -1.09 0.00 0.00 33.01 32.41 2ron s GLN 54 CO 0.48 -0.41 0.76 0.99 -1.32 0.00 0.00 175.29 175.78 2ron s THR 55 N -2.40 0.00 0.16 3.63 2.01 -1.26 -0.08 115.64 117.69 2ron s THR 55 Ca 0.20 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.98 2ron s THR 55 Cb -0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.55 2ron s THR 55 CO 0.01 0.00 1.62 -1.28 -0.69 0.00 0.00 174.62 174.28 2ron h SER 56 N 5.45 -0.86 -5.37 3.53 0.87 -1.81 -3.46 113.55 111.88 2ron h SER 56 Ca -0.29 0.16 -0.40 0.00 -1.23 0.00 0.00 61.79 60.02 2ron h SER 56 Cb 1.18 0.41 0.11 0.00 -0.44 0.00 0.00 62.40 63.66 2ron h SER 56 CO 0.09 -0.29 -0.66 0.00 -0.53 0.00 0.00 176.83 175.44 2ron n ALA 57 N -2.88 -1.19 -2.25 6.23 0.00 -1.26 -1.54 120.51 117.62 2ron n ALA 57 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.67 2ron n ALA 57 Cb 0.31 -4.98 -0.02 0.00 0.00 0.00 0.00 19.45 14.76 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 -4.85 -0.53 -0.80 0.00 2.08 -1.26 -4.81 119.36 109.19 2ron n ILE 58 Ca -0.03 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.20 2ron n ILE 58 Cb 0.58 -1.82 0.26 0.00 -0.75 0.00 0.00 39.64 37.91 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 -2.67 3.26 0.00 0.38 -0.58 -0.59 -4.69 120.64 115.75 2ron n GLU 59 Ca -0.16 -2.69 0.00 0.00 -0.42 0.00 0.00 57.16 53.90 2ron n GLU 59 Cb 0.59 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2ron n GLU 59 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ron n ASP 60 N -0.19 0.00 -0.07 1.62 5.75 -1.26 -0.21 116.55 122.18 2ron n ASP 60 Ca 0.38 0.75 0.25 0.00 -0.01 0.00 0.00 54.79 56.17 2ron n ASP 60 Cb 1.30 -0.25 0.71 0.00 -1.03 0.00 0.00 41.12 41.85 2ron n ASP 60 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2ron h LEU 61 N 0.00 0.00 0.38 -2.12 3.38 -1.97 0.40 115.31 115.38 2ron h LEU 61 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ron h LEU 61 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ron h LEU 61 CO 0.00 0.00 -0.18 -0.08 0.09 0.00 0.00 178.44 178.27 2ron h GLU 62 N 0.00 -0.50 0.00 1.13 4.57 -1.56 0.28 114.58 118.50 2ron h GLU 62 Ca 0.34 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.49 2ron h GLU 62 Cb 1.56 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.26 2ron h GLU 62 CO -0.00 -0.33 -0.27 1.05 -1.18 0.00 0.00 179.01 178.28 2ron h GLU 63 N -0.65 0.00 0.17 1.92 4.11 0.05 -2.14 114.58 118.04 2ron h GLU 63 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2ron h GLU 63 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2ron h GLU 63 CO 0.09 0.27 -0.08 1.25 0.07 0.00 0.00 179.01 180.61 2ron h LEU 64 N 0.00 -0.19 -1.93 3.06 7.12 -0.25 0.11 115.31 123.22 2ron h LEU 64 Ca -0.00 0.01 0.13 0.00 0.13 0.00 0.00 57.88 58.15 2ron h LEU 64 Cb 0.53 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 2ron h LEU 64 CO 0.04 0.01 0.49 0.74 -0.13 0.00 0.00 178.44 179.58 2ron h THR 65 N -0.52 0.36 0.00 1.05 2.02 -0.50 0.39 112.91 115.71 2ron h THR 65 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2ron h THR 65 Cb 0.17 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2ron h THR 65 CO 0.04 0.00 -0.26 0.44 0.37 0.00 0.00 175.52 176.11 2ron h ASP 66 N 0.00 0.00 0.40 4.18 5.19 -1.43 0.12 116.42 124.89 2ron h ASP 66 Ca 0.21 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2ron h ASP 66 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2ron h ASP 66 CO -0.00 0.88 0.00 -0.11 -3.12 0.00 0.00 179.24 176.89 2ron n LEU 67 N -4.64 0.37 -0.09 1.55 7.94 0.37 0.23 117.00 122.73 2ron n LEU 67 Ca -0.10 0.62 -0.16 0.00 -1.11 0.00 0.00 56.01 55.26 2ron n LEU 67 Cb 0.33 -0.60 -0.05 0.00 0.53 0.00 0.00 43.42 43.63 2ron n LEU 67 CO 0.18 -0.55 -0.94 0.00 -1.11 0.00 0.00 177.39 174.97 2ron n TYR 68 N -1.93 0.00 -0.36 1.96 4.19 0.13 -4.55 117.16 116.59 2ron n TYR 68 Ca 0.01 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.17 2ron n TYR 68 Cb 0.14 -0.63 0.19 0.00 0.49 0.00 0.00 39.34 39.53 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2ron n LYS 69 N -4.17 2.70 -0.18 2.98 4.76 0.42 -4.53 118.16 120.14 2ron n LYS 69 Ca -0.29 -2.04 -0.01 0.00 -2.87 0.00 0.00 58.31 53.10 2ron n LYS 69 Cb 0.63 -1.89 0.06 0.00 -1.84 0.00 0.00 35.03 31.99 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2ron h GLN 70 N 1.65 0.04 -0.58 1.97 4.15 -0.34 -0.55 115.11 121.44 2ron h GLN 70 Ca 0.21 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.73 2ron h GLN 70 Cb 1.87 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 29.47 2ron h GLN 70 CO 0.53 0.02 0.16 1.05 -1.93 0.00 0.00 178.83 178.67 2ron h GLU 71 N 0.04 0.30 -3.53 1.69 4.11 -1.84 -3.37 114.58 111.98 2ron h GLU 71 Ca 0.28 -0.02 -0.53 0.00 0.07 0.00 0.00 59.36 59.16 2ron h GLU 71 Cb 0.43 -0.07 -0.40 0.00 0.50 0.00 0.00 28.75 29.22 2ron h GLU 71 CO -0.54 0.20 -0.76 -0.51 0.07 0.00 0.00 179.01 177.46 2ron s LEU 72 N -10.46 1.39 -0.51 3.06 2.01 -0.24 -5.08 118.68 108.85 2ron s LEU 72 Ca -0.13 -1.02 -0.29 0.00 0.01 0.00 0.00 54.13 52.70 2ron s LEU 72 Cb 0.17 -0.65 -0.10 0.00 0.01 0.00 0.00 46.19 45.62 2ron s LEU 72 CO 0.74 -0.33 2.39 -3.20 1.01 0.00 0.00 176.35 176.96 2ron n ASN 73 N 5.01 2.08 -4.72 2.29 5.15 -1.07 -4.71 115.26 119.29 2ron n ASN 73 Ca -0.08 -0.10 -0.35 0.00 -0.60 0.00 0.00 54.58 53.45 2ron n ASN 73 Cb 0.46 -1.40 -0.08 0.00 -0.53 0.00 0.00 39.78 38.22 2ron n ASN 73 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2ron s LEU 74 N 10.11 4.02 0.96 1.20 1.98 -1.26 -5.08 118.68 130.60 2ron s LEU 74 Ca 1.07 0.22 -0.13 0.00 -2.89 0.00 0.00 54.13 52.40 2ron s LEU 74 Cb -0.52 -2.00 0.04 0.00 0.66 0.00 0.00 46.19 44.37 2ron s LEU 74 CO 0.36 0.26 0.39 0.54 -1.89 0.00 0.00 176.35 176.01 2ron n ARG 75 N 2.97 -0.38 0.00 1.98 3.00 -1.26 -5.00 116.66 117.97 2ron n ARG 75 Ca -0.18 -0.07 0.00 0.00 -0.01 0.00 0.00 57.85 57.59 2ron n ARG 75 Cb 0.53 -1.85 0.00 0.00 0.00 0.00 0.00 32.46 31.14 2ron n ARG 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2ron n PRO 76 N -1.76 -0.50 -4.15 5.56 -0.04 -1.26 -5.05 135.00 127.80 2ron n PRO 76 Ca 0.06 0.00 -0.33 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 33.93 2ron n PRO 76 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ron s ASP 77 N -1.51 5.60 0.01 3.54 2.15 -1.26 -5.03 116.67 120.16 2ron s ASP 77 Ca 0.00 0.15 -0.25 0.00 0.43 0.00 0.00 52.55 52.88 2ron s ASP 77 Cb 0.00 -1.60 -0.18 0.00 -0.30 0.00 0.00 42.92 40.84 2ron s ASP 77 CO 0.00 0.30 1.32 0.03 -0.17 0.00 0.00 175.17 176.65 2ron h ARG 78 N 4.33 -0.20 -6.90 4.34 3.08 -1.92 -3.45 114.38 113.66 2ron h ARG 78 Ca -0.50 0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.05 2ron h ARG 78 Cb 1.19 0.05 0.05 0.00 0.08 0.00 0.00 29.97 31.33 2ron h ARG 78 CO 0.60 0.13 0.54 -1.25 -1.07 0.00 0.00 179.97 178.93 2ron s PRO 79 N -4.74 4.23 -0.29 0.04 0.04 -1.26 -4.55 135.00 128.47 2ron s PRO 79 Ca -0.15 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.70 2ron s PRO 79 Cb 0.03 -2.88 0.13 0.00 0.04 0.00 0.00 34.50 31.82 2ron s PRO 79 CO 0.61 -0.20 0.92 0.12 0.04 0.00 0.00 177.00 178.48 2ron s PHE 80 N -1.28 -0.69 -0.11 0.56 2.19 -1.02 -3.15 117.98 114.48 2ron s PHE 80 Ca 0.53 1.36 0.00 0.00 0.33 0.00 0.00 56.93 59.15 2ron s PHE 80 Cb -0.34 0.41 0.02 0.00 -1.31 0.00 0.00 43.02 41.81 2ron s PHE 80 CO 0.44 -0.34 -0.10 0.14 1.83 0.00 0.00 175.22 177.19 2ron s VAL 81 N 1.54 1.15 -0.19 3.12 -7.23 -0.84 -3.78 120.40 114.17 2ron s VAL 81 Ca -0.09 -0.39 -0.08 0.00 -1.81 0.00 0.00 61.98 59.61 2ron s VAL 81 Cb -0.04 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2ron s VAL 81 CO -0.16 0.38 0.08 -0.22 -0.31 0.00 0.00 175.10 174.87 2ron s LEU 82 N 1.46 3.90 -0.23 1.32 0.20 -1.23 -0.49 118.68 123.61 2ron s LEU 82 Ca 0.01 0.12 -0.00 0.00 0.69 0.00 0.00 54.13 54.94 2ron s LEU 82 Cb -0.13 -1.99 0.07 0.00 -0.43 0.00 0.00 46.19 43.70 2ron s LEU 82 CO -0.06 0.18 -0.01 -0.36 -0.29 0.00 0.00 176.35 175.81 2ron s PHE 83 N 0.35 1.95 0.00 5.38 0.08 -0.17 -4.12 117.98 121.46 2ron s PHE 83 Ca 0.04 -1.53 0.00 0.00 0.12 0.00 0.00 56.93 55.57 2ron s PHE 83 Cb -0.12 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 2ron s PHE 83 CO -0.00 -0.74 0.00 0.41 -0.10 0.00 0.00 175.22 174.78 2ron n GLY 84 N 4.79 3.97 3.44 4.36 0.00 -1.26 -2.46 105.19 118.03 2ron n GLY 84 Ca -0.09 -1.78 -0.21 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 2.98 1.94 -1.72 1.61 -3.43 -1.26 -4.90 115.29 110.50 2ron s HIS 85 Ca 0.00 -0.97 0.29 0.00 -0.80 0.00 0.00 55.06 53.57 2ron s HIS 85 Cb 0.00 -1.26 1.58 0.00 -1.43 0.00 0.00 32.58 31.47 2ron s HIS 85 CO 0.00 -0.01 2.02 0.43 -2.00 0.00 0.00 174.74 175.18 2ron n SER 86 N -0.67 0.00 0.03 7.38 7.64 -1.26 -3.98 113.62 122.77 2ron n SER 86 Ca -0.02 -0.52 -0.01 0.00 1.01 0.00 0.00 58.87 59.32 2ron n SER 86 Cb 0.67 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 2ron n SER 86 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2ron h MET 87 N 0.00 -0.09 0.00 1.43 2.86 -2.00 -3.50 114.93 113.62 2ron h MET 87 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2ron h MET 87 Cb 0.13 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2ron h MET 87 CO 0.00 -0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.32 2ron n GLY 88 N 0.24 1.20 0.00 8.32 0.00 -1.26 -5.11 105.19 108.59 2ron n GLY 88 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.48 -1.79 0.19 -0.02 0.00 -1.26 -4.79 105.19 97.04 2ron n GLY 89 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.20 1.61 -0.00 -1.97 -2.42 114.93 112.55 2ron h MET 90 Ca 0.00 -0.35 -0.14 0.00 -0.00 0.00 0.00 59.70 59.21 2ron h MET 90 Cb 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 2ron h MET 90 CO 0.00 0.95 -0.46 -0.84 -0.00 0.00 0.00 176.91 176.56 2ron h ILE 91 N 0.30 1.31 0.73 -0.10 3.07 -1.97 -1.29 117.51 119.56 2ron h ILE 91 Ca 0.03 -1.67 -0.04 0.00 1.55 0.00 0.00 64.86 64.73 2ron h ILE 91 Cb 0.88 1.66 0.01 0.00 -0.27 0.00 0.00 36.82 39.10 2ron h ILE 91 CO 0.07 0.52 -0.35 0.71 -1.05 0.00 0.00 178.15 178.05 2ron h THR 92 N 0.41 0.00 -0.69 0.16 1.35 -1.95 -2.56 112.91 109.64 2ron h THR 92 Ca 0.03 -0.15 0.01 0.00 -0.55 0.00 0.00 66.41 65.75 2ron h THR 92 Cb 0.97 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.35 2ron h THR 92 CO 0.09 0.00 0.45 0.15 -0.25 0.00 0.00 175.52 175.95 2ron h PHE 93 N -1.13 0.85 -0.83 4.73 3.04 -1.52 -1.94 116.94 120.13 2ron h PHE 93 Ca -0.10 0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.05 2ron h PHE 93 Cb 0.75 -0.28 -0.11 0.00 2.56 0.00 0.00 35.95 38.86 2ron h PHE 93 CO 0.03 0.52 0.34 -0.09 -2.02 0.00 0.00 178.31 177.08 2ron h ARG 94 N 0.91 0.40 -0.08 1.11 9.65 -1.25 0.36 114.38 125.49 2ron h ARG 94 Ca 0.26 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 58.94 2ron h ARG 94 Cb -0.08 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.41 2ron h ARG 94 CO -0.07 0.26 -0.70 -0.07 2.80 0.00 0.00 179.97 182.19 2ron h LEU 95 N 0.41 0.44 0.52 3.80 3.38 -1.00 -2.14 115.31 120.73 2ron h LEU 95 Ca 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2ron h LEU 95 Cb 0.86 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.48 2ron h LEU 95 CO -0.48 1.01 -0.25 0.00 0.09 0.00 0.00 178.44 178.81 2ron h ALA 96 N 0.98 -0.69 -0.58 1.53 0.00 -0.03 -1.34 119.26 119.13 2ron h ALA 96 Ca -0.02 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2ron h ALA 96 Cb 1.27 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2ron h ALA 96 CO 0.12 -0.72 0.39 0.37 0.00 0.00 0.00 179.25 179.41 2ron h GLN 97 N -1.05 0.69 0.76 0.00 4.15 -0.52 -1.03 115.11 118.12 2ron h GLN 97 Ca -0.07 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 2ron h GLN 97 Cb 0.61 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 28.15 2ron h GLN 97 CO 0.12 0.46 -0.36 -0.22 -1.93 0.00 0.00 178.83 176.89 2ron h LYS 98 N 0.71 -0.98 -0.41 1.69 3.64 -1.36 0.29 116.57 120.14 2ron h LYS 98 Ca 0.23 0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.78 2ron h LYS 98 Cb 0.04 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2ron h LYS 98 CO -0.06 -0.64 0.29 1.25 -2.27 0.00 0.00 179.45 178.02 2ron h LEU 99 N -1.24 0.07 0.07 5.20 5.85 -1.08 0.21 115.31 124.39 2ron h LEU 99 Ca -0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2ron h LEU 99 Cb 0.79 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2ron h LEU 99 CO 0.17 0.04 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.19 2ron h GLU 100 N 0.07 -0.10 -0.87 1.25 4.81 -1.04 0.02 114.58 118.73 2ron h GLU 100 Ca 0.20 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.65 2ron h GLU 100 Cb 0.68 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 2ron h GLU 100 CO -0.02 -0.06 0.59 0.07 -0.73 0.00 0.00 179.01 178.87 2ron h ARG 101 N -0.41 0.25 0.00 1.92 -0.00 -0.32 0.33 114.38 116.15 2ron h ARG 101 Ca -0.01 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.98 59.74 2ron h ARG 101 Cb 0.08 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 29.96 2ron h ARG 101 CO 0.02 0.16 -1.07 1.05 -0.00 0.00 0.00 179.97 180.13 2ron h GLU 102 N 0.25 0.00 0.03 0.08 4.11 -0.68 -3.32 114.58 115.06 2ron h GLU 102 Ca 0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.87 2ron h GLU 102 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2ron h GLU 102 CO -0.11 0.90 -0.02 0.78 0.07 0.00 0.00 179.01 180.63 2ron h GLY 103 N 3.10 -0.05 -6.48 1.06 0.00 0.16 -3.45 103.07 97.40 2ron h GLY 103 Ca -0.05 0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 2ron h GLY 103 CO 0.12 -0.02 -0.51 -0.42 0.00 0.00 0.00 176.54 175.71 2ron s ILE 104 N -3.18 -0.56 0.08 2.60 1.01 0.33 -4.85 121.20 116.63 2ron s ILE 104 Ca -0.16 -0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.04 2ron s ILE 104 Cb -0.01 -0.83 -0.16 0.00 0.01 0.00 0.00 42.46 41.48 2ron s ILE 104 CO 0.62 -0.17 1.61 0.15 0.00 0.00 0.00 174.94 177.15 2ron h PHE 105 N 8.20 -0.96 -1.04 3.97 3.57 -1.78 -3.38 116.94 125.53 2ron h PHE 105 Ca -0.18 -0.00 -0.35 0.00 3.53 0.00 0.00 57.97 60.97 2ron h PHE 105 Cb 1.15 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 40.19 2ron h PHE 105 CO 0.15 -0.53 0.89 -1.25 -2.23 0.00 0.00 178.31 175.34 2ron s PRO 106 N -6.01 2.57 0.21 6.41 0.04 -1.26 -4.96 135.00 132.00 2ron s PRO 106 Ca -0.17 -0.07 0.06 0.00 0.04 0.00 0.00 61.00 60.86 2ron s PRO 106 Cb 0.05 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.66 2ron s PRO 106 CO 0.62 -3.21 0.20 -0.65 0.04 0.00 0.00 177.00 174.00 2ron s GLN 107 N 7.01 3.03 0.00 4.56 -0.21 -1.26 -4.95 119.66 127.84 2ron s GLN 107 Ca 0.69 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 55.17 2ron s GLN 107 Cb -0.08 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.26 2ron s GLN 107 CO 0.05 0.45 0.00 0.00 -2.12 0.00 0.00 175.29 173.67 2ron n ALA 108 N -0.81 1.37 -2.60 6.09 0.00 -1.26 -4.99 120.51 118.31 2ron n ALA 108 Ca -0.08 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2ron n ALA 108 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.46 4.95 0.01 0.00 -7.23 -1.26 -3.62 120.40 112.78 2ron s VAL 109 Ca 0.00 0.80 -0.04 0.00 -1.81 0.00 0.00 61.98 60.93 2ron s VAL 109 Cb 0.00 -3.99 -0.01 0.00 0.56 0.00 0.00 36.38 32.95 2ron s VAL 109 CO 0.00 -0.14 0.06 -0.63 -0.31 0.00 0.00 175.10 174.08 2ron s ILE 110 N 2.57 0.09 -0.04 -0.62 -1.09 -0.73 -2.42 121.20 118.96 2ron s ILE 110 Ca 0.24 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.97 2ron s ILE 110 Cb -0.15 -0.32 0.01 0.00 -1.58 0.00 0.00 42.46 40.42 2ron s ILE 110 CO 0.12 -0.39 -0.08 -0.51 -1.23 0.00 0.00 174.94 172.84 2ron s ILE 111 N -1.26 0.77 -0.25 2.92 -1.16 -1.25 -3.18 121.20 117.79 2ron s ILE 111 Ca -0.14 -0.31 0.01 0.00 -0.51 0.00 0.00 60.65 59.70 2ron s ILE 111 Cb -0.08 -0.71 0.04 0.00 0.61 0.00 0.00 42.46 42.32 2ron s ILE 111 CO 0.00 0.26 -0.10 -0.94 -2.81 0.00 0.00 174.94 171.35 2ron s SER 112 N 0.47 4.20 0.46 4.50 1.04 -1.05 -3.49 113.70 119.85 2ron s SER 112 Ca -0.08 -1.07 0.06 0.00 0.48 0.00 0.00 55.95 55.34 2ron s SER 112 Cb -0.11 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 2ron s SER 112 CO 0.01 -0.14 0.21 0.00 0.98 0.00 0.00 173.24 174.30 2ron s ALA 113 N 1.23 3.90 -0.83 5.32 0.00 -1.26 -2.68 121.76 127.44 2ron s ALA 113 Ca -0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 50.31 2ron s ALA 113 Cb -0.18 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2ron s ALA 113 CO -0.06 -0.22 0.71 -0.89 0.00 0.00 0.00 175.76 175.31 2ron n ILE 114 N -1.38 -6.69 -2.82 0.00 5.41 -1.25 -4.78 119.36 107.84 2ron n ILE 114 Ca -0.04 -0.89 -0.43 0.00 1.00 0.00 0.00 62.75 62.39 2ron n ILE 114 Cb 0.65 -5.42 -0.04 0.00 -0.71 0.00 0.00 39.64 34.12 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 -4.27 3.70 0.99 0.38 -0.21 -1.24 -4.59 119.66 114.41 2ron s GLN 115 Ca 0.27 0.38 -0.12 0.00 0.02 0.00 0.00 55.36 55.91 2ron s GLN 115 Cb -0.04 -3.86 0.18 0.00 1.00 0.00 0.00 33.01 30.30 2ron s GLN 115 CO 0.56 -1.07 1.09 -1.25 -2.12 0.00 0.00 175.29 172.51 2ron s PRO 116 N 3.59 0.52 -0.01 2.91 0.04 -1.26 -2.62 135.00 138.17 2ron s PRO 116 Ca 0.37 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.72 2ron s PRO 116 Cb -0.11 -1.74 -0.19 0.00 0.04 0.00 0.00 34.50 32.49 2ron s PRO 116 CO 0.22 -2.68 1.28 -1.00 0.04 0.00 0.00 177.00 174.86 2ron h PRO 117 N -1.86 0.07 -6.56 0.56 0.13 -1.93 -3.44 132.00 118.97 2ron h PRO 117 Ca -0.54 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 63.96 2ron h PRO 117 Cb 1.32 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.57 2ron h PRO 117 CO 0.57 0.54 0.22 -2.39 -0.23 0.00 0.00 178.00 176.71 2ron n HIS 118 N -4.80 1.50 -3.88 1.56 1.44 -1.26 -4.81 115.22 104.98 2ron n HIS 118 Ca -0.08 0.65 -0.10 0.00 -2.01 0.00 0.00 57.72 56.18 2ron n HIS 118 Cb 0.27 -2.29 -0.09 0.00 0.12 0.00 0.00 29.99 28.00 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 -1.09 0.11 0.47 0.61 -5.25 -1.26 -4.80 121.20 109.99 2ron s ILE 119 Ca 0.58 -0.93 -0.23 0.00 -0.99 0.00 0.00 60.65 59.08 2ron s ILE 119 Cb -0.65 -0.83 -0.09 0.00 2.95 0.00 0.00 42.46 43.84 2ron s ILE 119 CO 0.60 -0.51 1.13 1.67 -1.79 0.00 0.00 174.94 176.04 2ron n GLN 120 N 0.84 1.51 -2.25 0.37 -0.06 -1.26 -4.79 117.38 111.73 2ron n GLN 120 Ca -0.19 0.54 -0.43 0.00 -2.00 0.00 0.00 57.00 54.92 2ron n GLN 120 Cb 0.58 -2.24 -0.02 0.00 -4.06 0.00 0.00 30.24 24.50 2ron n GLN 120 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 2ron s ARG 121 N -2.30 4.21 0.37 3.69 1.70 -1.26 -4.95 118.95 120.41 2ron s ARG 121 Ca 0.65 1.87 0.06 0.00 -0.47 0.00 0.00 55.73 57.84 2ron s ARG 121 Cb -0.50 -3.86 -0.03 0.00 -0.57 0.00 0.00 34.95 30.00 2ron s ARG 121 CO 0.55 -0.77 0.21 0.15 -1.08 0.00 0.00 175.30 174.35 2ron s LYS 122 N 3.73 1.86 -0.05 3.89 1.02 -1.26 -5.08 119.74 123.85 2ron s LYS 122 Ca 0.62 -2.11 0.02 0.00 0.02 0.00 0.00 55.97 54.52 2ron s LYS 122 Cb -0.26 -0.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.93 2ron s LYS 122 CO 0.21 -0.58 -0.09 0.15 -0.92 0.00 0.00 175.35 174.12 2ron s LYS 123 N -3.57 1.23 0.36 1.68 1.02 -1.26 -4.73 119.74 114.47 2ron s LYS 123 Ca 0.32 -0.29 -0.05 0.00 0.02 0.00 0.00 55.97 55.97 2ron s LYS 123 Cb 0.02 -1.09 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 2ron s LYS 123 CO 0.21 0.01 0.55 0.14 -0.92 0.00 0.00 175.35 175.34 2ron s VAL 124 N 0.63 0.00 -0.16 3.17 -7.23 -1.26 -5.06 120.40 110.48 2ron s VAL 124 Ca -0.11 -1.47 0.15 0.00 -1.81 0.00 0.00 61.98 58.74 2ron s VAL 124 Cb -0.14 -2.71 0.35 0.00 0.56 0.00 0.00 36.38 34.44 2ron s VAL 124 CO 0.02 0.00 1.18 -0.24 -0.31 0.00 0.00 175.10 175.75 2ron n SER 125 N -1.47 1.94 0.07 4.85 2.88 -1.26 -4.66 113.62 115.98 2ron n SER 125 Ca -0.01 -3.44 -0.01 0.00 -1.33 0.00 0.00 58.87 54.08 2ron n SER 125 Cb 0.61 -0.47 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2ron h HIS 126 N 0.52 0.00 -1.75 0.66 -0.00 -2.03 -3.47 115.15 109.07 2ron h HIS 126 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2ron h HIS 126 Cb 1.03 0.00 -0.24 0.00 -0.00 0.00 0.00 27.41 28.21 2ron h HIS 126 CO 0.38 0.65 0.34 -1.17 -0.00 0.00 0.00 177.93 178.14 2ron s LEU 127 N -6.21 -0.55 0.13 0.26 0.20 -1.26 -5.04 118.68 106.20 2ron s LEU 127 Ca 0.00 0.99 -0.12 0.00 0.69 0.00 0.00 54.13 55.68 2ron s LEU 127 Cb 0.08 2.12 -0.06 0.00 -0.43 0.00 0.00 46.19 47.90 2ron s LEU 127 CO 0.79 -0.24 1.45 1.55 -0.29 0.00 0.00 176.35 179.61 2ron h PRO 128 N 4.16 0.85 0.00 0.98 0.13 -1.92 -2.87 132.00 133.34 2ron h PRO 128 Ca -0.27 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2ron h PRO 128 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ron h PRO 128 CO 0.14 1.09 0.00 -0.25 -0.23 0.00 0.00 178.00 178.75 2ron n ASP 129 N -4.14 0.00 0.21 1.44 9.92 -1.26 -3.83 116.55 118.89 2ron n ASP 129 Ca -0.03 0.31 -0.15 0.00 -0.53 0.00 0.00 54.79 54.40 2ron n ASP 129 Cb 0.52 -0.43 -0.08 0.00 -0.64 0.00 0.00 41.12 40.49 2ron n ASP 129 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2ron h ASP 130 N 0.00 -1.21 -0.89 -2.24 1.82 -1.91 -1.72 116.42 110.27 2ron h ASP 130 Ca 0.00 0.11 0.17 0.00 -0.39 0.00 0.00 57.03 56.91 2ron h ASP 130 Cb 0.34 0.41 -0.10 0.00 0.68 0.00 0.00 39.33 40.66 2ron h ASP 130 CO 0.00 -0.54 0.47 -0.61 -1.61 0.00 0.00 179.24 176.95 2ron h GLN 131 N -0.79 0.60 0.08 0.28 4.15 -1.75 0.69 115.11 118.37 2ron h GLN 131 Ca -0.04 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2ron h GLN 131 Cb 0.71 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 2ron h GLN 131 CO -0.10 0.40 -0.11 0.74 -1.93 0.00 0.00 178.83 177.83 2ron h PHE 132 N 0.62 -0.30 -0.03 3.99 -1.00 -1.61 -1.58 116.94 117.03 2ron h PHE 132 Ca 0.50 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.29 2ron h PHE 132 Cb 0.76 0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.44 2ron h PHE 132 CO -0.08 -0.13 0.09 1.37 -1.61 0.00 0.00 178.31 177.95 2ron h LEU 133 N -0.19 0.00 0.51 1.54 8.10 -1.04 -2.34 115.31 121.89 2ron h LEU 133 Ca -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 2ron h LEU 133 Cb 0.17 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.40 2ron h LEU 133 CO -0.03 0.00 -0.25 -0.78 -4.11 0.00 0.00 178.44 173.27 2ron h ASP 134 N 0.00 -0.58 -0.48 0.17 1.82 0.08 -0.47 116.42 116.96 2ron h ASP 134 Ca 0.01 -0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.52 2ron h ASP 134 Cb 0.20 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 2ron h ASP 134 CO -0.00 -0.33 -0.09 -0.74 -1.61 0.00 0.00 179.24 176.46 2ron h HIS 135 N -0.81 1.05 0.00 0.28 2.76 -0.88 -2.61 115.15 114.94 2ron h HIS 135 Ca -0.07 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 57.87 2ron h HIS 135 Cb 0.58 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 2ron h HIS 135 CO -0.02 0.98 -0.11 0.82 -1.30 0.00 0.00 177.93 178.30 2ron h ILE 136 N 0.85 0.68 -7.00 6.26 5.03 -1.39 -3.47 117.51 118.48 2ron h ILE 136 Ca 0.14 -0.46 -0.56 0.00 -0.12 0.00 0.00 64.86 63.86 2ron h ILE 136 Cb 0.63 1.28 -0.06 0.00 -3.03 0.00 0.00 36.82 35.65 2ron h ILE 136 CO 0.04 0.11 -0.93 2.30 -0.68 0.00 0.00 178.15 178.99 2ron n ILE 137 N -3.82 -2.08 0.06 -0.67 -5.35 -0.19 -4.70 119.36 102.61 2ron n ILE 137 Ca -0.02 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2ron n ILE 137 Cb 0.21 -1.80 0.00 0.00 -1.74 0.00 0.00 39.64 36.31 2ron n ILE 137 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2ron n GLN 138 N -4.68 0.00 -3.94 6.28 7.27 -1.26 -4.40 117.38 116.64 2ron n GLN 138 Ca -0.14 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.66 2ron n GLN 138 Cb 0.54 -0.22 -0.01 0.00 2.41 0.00 0.00 30.24 32.97 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 -3.20 -2.35 -0.06 1.69 7.99 -1.26 -0.30 117.00 119.50 2ron n LEU 139 Ca 0.00 -0.95 -0.01 0.00 -0.01 0.00 0.00 56.01 55.04 2ron n LEU 139 Cb 0.00 -2.32 -0.00 0.00 -0.11 0.00 0.00 43.42 40.98 2ron n LEU 139 CO 0.00 0.41 -0.01 0.61 -1.51 0.00 0.00 177.39 176.89 2ron n GLY 140 N -1.79 0.46 0.00 -0.72 0.00 -1.26 -4.89 105.19 96.99 2ron n GLY 140 Ca -0.22 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.86 0.08 3.64 -0.02 0.00 0.59 -5.10 105.19 101.51 2ron n GLY 141 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2ron n GLY 141 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ron s MET 142 N 0.28 0.47 -1.02 1.61 1.75 -1.26 -5.07 119.30 116.06 2ron s MET 142 Ca 0.00 0.63 -0.23 0.00 -1.25 0.00 0.00 55.69 54.84 2ron s MET 142 Cb 0.00 0.20 -0.12 0.00 2.84 0.00 0.00 34.83 37.75 2ron s MET 142 CO 0.00 -0.07 1.92 -0.35 -0.65 0.00 0.00 175.02 175.88 2ron n PRO 143 N 2.63 1.53 -4.12 4.11 -0.04 -1.26 -4.58 135.00 133.26 2ron n PRO 143 Ca -0.14 -2.23 -0.36 0.00 -0.04 0.00 0.00 63.50 60.73 2ron n PRO 143 Cb 0.56 -3.44 -0.08 0.00 -0.04 0.00 0.00 33.50 30.50 2ron n PRO 143 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ron s ALA 144 N 9.02 3.57 0.00 0.55 0.00 -1.26 -4.96 121.76 128.67 2ron s ALA 144 Ca 0.65 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2ron s ALA 144 Cb 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2ron s ALA 144 CO 0.14 0.58 0.00 0.39 0.00 0.00 0.00 175.76 176.86 2ron n GLU 145 N 2.15 0.60 0.00 0.00 1.02 -1.26 -4.56 120.64 118.59 2ron n GLU 145 Ca -0.19 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.09 2ron n GLU 145 Cb 0.54 -0.66 0.69 0.00 -0.02 0.00 0.00 31.44 31.99 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 -1.43 0.41 -0.00 -4.62 -0.00 -1.26 -3.45 117.00 106.64 2ron n LEU 146 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 2ron n LEU 146 Cb 0.16 -0.14 -0.05 0.00 -0.00 0.00 0.00 43.42 43.39 2ron n LEU 146 CO 0.00 0.07 -0.44 1.33 -0.00 0.00 0.00 177.39 178.35 2ron n VAL 147 N -0.90 0.00 -0.22 1.47 0.24 -1.26 -4.59 118.33 113.06 2ron n VAL 147 Ca 0.17 -0.20 0.21 0.00 -2.04 0.00 0.00 64.34 62.48 2ron n VAL 147 Cb 0.25 0.50 0.56 0.00 -1.47 0.00 0.00 33.84 33.68 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 0.30 0.00 7.34 -0.00 -1.80 -0.04 114.58 120.38 2ron h GLU 148 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 2ron h GLU 148 Cb 0.28 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.96 2ron h GLU 148 CO 0.00 0.20 0.00 0.09 -0.00 0.00 0.00 179.01 179.30 2ron n ASN 149 N -4.46 0.00 0.05 3.06 3.02 -1.26 -0.96 115.26 114.70 2ron n ASN 149 Ca 0.19 0.75 0.14 0.00 -0.03 0.00 0.00 54.58 55.63 2ron n ASN 149 Cb 0.76 -0.25 0.62 0.00 -0.61 0.00 0.00 39.78 40.30 2ron n ASN 149 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ron h LYS 150 N 0.00 0.12 0.40 3.52 2.10 -1.84 -2.31 116.57 118.56 2ron h LYS 150 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2ron h LYS 150 Cb 0.00 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 2ron h LYS 150 CO 0.00 0.08 -0.34 0.93 -2.00 0.00 0.00 179.45 178.12 2ron h GLU 151 N 0.12 -0.72 0.00 0.07 5.08 -0.77 0.24 114.58 118.60 2ron h GLU 151 Ca 0.19 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2ron h GLU 151 Cb 0.58 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2ron h GLU 151 CO -0.02 -0.48 0.00 1.33 -1.00 0.00 0.00 179.01 178.84 2ron n VAL 152 N -5.46 0.94 1.05 3.13 0.24 -0.14 0.33 118.33 118.42 2ron n VAL 152 Ca -0.10 0.29 0.12 0.00 -2.04 0.00 0.00 64.34 62.61 2ron n VAL 152 Cb 0.36 -1.18 0.10 0.00 -1.47 0.00 0.00 33.84 31.64 2ron n VAL 152 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2ron n MET 153 N -2.03 1.80 0.02 7.34 2.81 -0.54 -4.21 117.12 122.32 2ron n MET 153 Ca 0.02 -1.46 0.00 0.00 -1.81 0.00 0.00 57.70 54.45 2ron n MET 153 Cb 0.19 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2ron n MET 153 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2ron n SER 154 N 0.67 0.07 0.02 7.83 3.41 0.73 -4.49 113.62 121.86 2ron n SER 154 Ca 0.12 0.08 0.22 0.00 -0.26 0.00 0.00 58.87 59.04 2ron n SER 154 Cb 0.52 0.03 0.69 0.00 -0.26 0.00 0.00 64.21 65.20 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2ron h PHE 155 N 0.00 0.00 -4.51 7.33 -1.00 -0.30 -3.41 116.94 115.05 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 -0.01 0.34 -1.61 0.00 0.00 178.31 177.03 2ron n PHE 156 N -3.64 -1.92 -1.13 -0.55 -0.00 -1.18 -4.39 117.46 104.65 2ron n PHE 156 Ca 0.11 0.73 -0.35 0.00 -0.00 0.00 0.00 57.45 57.94 2ron n PHE 156 Cb 0.80 -3.17 0.09 0.00 -0.00 0.00 0.00 39.48 37.20 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 -1.45 0.90 0.15 -2.13 -0.00 -1.26 -4.59 117.00 108.62 2ron n LEU 157 Ca 0.00 0.52 0.13 0.00 -0.00 0.00 0.00 56.01 56.66 2ron n LEU 157 Cb 0.49 -1.24 0.53 0.00 -0.00 0.00 0.00 43.42 43.20 2ron n LEU 157 CO 0.34 -3.12 0.88 1.55 -0.00 0.00 0.00 177.39 177.04 2ron h PRO 158 N -0.73 0.00 -5.69 1.47 0.13 -1.87 -3.41 132.00 121.90 2ron h PRO 158 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.39 2ron h PRO 158 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2ron h PRO 158 CO 0.41 0.00 0.76 0.45 -0.23 0.00 0.00 178.00 179.38 2ron s SER 159 N -4.47 4.92 0.00 1.44 0.15 -1.26 -4.83 113.70 109.65 2ron s SER 159 Ca 0.04 -0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.35 2ron s SER 159 Cb 0.09 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2ron s SER 159 CO 0.41 -2.88 0.76 -0.26 1.20 0.00 0.00 173.24 172.47 2ron h PHE 160 N 12.53 -0.10 -1.00 3.44 -1.00 -1.96 0.02 116.94 128.88 2ron h PHE 160 Ca 0.01 -0.00 0.38 0.00 2.81 0.00 0.00 57.97 61.16 2ron h PHE 160 Cb 1.04 0.03 -0.18 0.00 3.61 0.00 0.00 35.95 40.46 2ron h PHE 160 CO 1.17 -0.06 0.46 0.07 -1.61 0.00 0.00 178.31 178.33 2ron h ARG 161 N -0.14 0.05 0.01 1.51 0.11 -1.96 0.65 114.38 114.59 2ron h ARG 161 Ca -0.01 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2ron h ARG 161 Cb 0.09 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2ron h ARG 161 CO 0.02 0.03 -0.00 0.77 0.10 0.00 0.00 179.97 180.89 2ron h SER 162 N 0.05 -0.01 -0.24 0.08 0.02 -1.95 -2.00 113.55 109.50 2ron h SER 162 Ca 0.79 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.79 2ron h SER 162 Cb 1.99 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.46 2ron h SER 162 CO -0.77 -0.00 -0.42 -0.78 -1.14 0.00 0.00 176.83 173.72 2ron h ASP 163 N -0.02 -1.34 -0.11 3.07 3.58 -0.18 0.34 116.42 121.75 2ron h ASP 163 Ca -0.00 0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2ron h ASP 163 Cb 0.01 0.57 -0.05 0.00 1.72 0.00 0.00 39.33 41.58 2ron h ASP 163 CO 0.00 -0.40 -0.39 1.88 -2.88 0.00 0.00 179.24 177.45 2ron h TYR 164 N -0.42 -1.17 -0.01 0.28 -1.99 0.13 0.40 116.97 114.20 2ron h TYR 164 Ca 0.10 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.88 2ron h TYR 164 Cb 0.60 0.52 -0.00 0.00 2.00 0.00 0.00 36.73 39.86 2ron h TYR 164 CO -0.54 -0.39 0.10 -0.09 -0.00 0.00 0.00 178.16 177.24 2ron h ARG 165 N -0.41 0.00 0.00 4.88 1.12 -1.01 0.66 114.38 119.62 2ron h ARG 165 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2ron h ARG 165 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 2ron h ARG 165 CO -0.32 0.00 -0.56 0.00 -3.11 0.00 0.00 179.97 175.98 2ron h ALA 166 N 1.81 0.72 -0.01 2.80 0.00 0.33 0.22 119.26 125.13 2ron h ALA 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ron h ALA 166 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ron h ALA 166 CO -0.00 0.00 -0.09 -0.11 0.00 0.00 0.00 179.25 179.05 2ron n LEU 167 N -2.79 1.41 0.00 0.00 7.94 0.10 -4.71 117.00 118.95 2ron n LEU 167 Ca 0.02 -0.88 0.00 0.00 -1.11 0.00 0.00 56.01 54.04 2ron n LEU 167 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2ron n LEU 167 CO 0.37 0.28 -0.23 -0.62 -1.11 0.00 0.00 177.39 176.08 2ron n GLU 168 N 0.09 0.39 -2.62 1.96 -0.58 0.19 -5.03 120.64 115.05 2ron n GLU 168 Ca 0.04 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.58 2ron n GLU 168 Cb 0.20 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2ron n GLN 169 N -1.80 -2.75 0.00 3.49 6.02 0.78 -4.80 117.38 118.32 2ron n GLN 169 Ca 0.00 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 2ron n GLN 169 Cb 0.23 -5.66 0.00 0.00 1.02 0.00 0.00 30.24 25.83 2ron n GLN 169 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ron n PHE 170 N -4.12 0.00 -0.75 1.08 3.72 -1.26 -5.07 117.46 111.06 2ron n PHE 170 Ca -0.19 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.88 2ron n PHE 170 Cb 0.66 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.34 2ron n PHE 170 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2ron n GLU 171 N -2.03 -0.88 -4.19 -1.08 -0.58 -1.26 -5.04 120.64 105.58 2ron n GLU 171 Ca 0.00 -0.23 -0.16 0.00 -0.42 0.00 0.00 57.16 56.35 2ron n GLU 171 Cb 0.32 -1.76 -0.07 0.00 -0.57 0.00 0.00 31.44 29.36 2ron n GLU 171 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ron s LEU 172 N -0.92 1.34 0.61 -4.62 1.02 -1.26 -4.92 118.68 109.94 2ron s LEU 172 Ca 0.56 -1.57 0.34 0.00 0.02 0.00 0.00 54.13 53.48 2ron s LEU 172 Cb -0.17 0.87 1.96 0.00 0.02 0.00 0.00 46.19 48.88 2ron s LEU 172 CO 0.67 -1.10 2.26 0.10 0.02 0.00 0.00 176.35 178.30 2ron h TYR 173 N 2.22 0.00 -2.34 0.29 -0.00 -1.99 -3.35 116.97 111.80 2ron h TYR 173 Ca -0.28 0.00 -0.65 0.00 -0.00 0.00 0.00 58.73 57.80 2ron h TYR 173 Cb 1.24 0.00 -0.15 0.00 -0.00 0.00 0.00 36.73 37.81 2ron h TYR 173 CO 1.33 0.00 0.81 -0.51 -0.00 0.00 0.00 178.16 179.79 2ron s ASP 174 N -5.79 6.43 0.00 0.10 1.01 -1.26 -4.68 116.67 112.49 2ron s ASP 174 Ca -0.05 -1.55 0.00 0.00 0.71 0.00 0.00 52.55 51.66 2ron s ASP 174 Cb 0.14 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.64 2ron s ASP 174 CO 0.50 -1.27 0.45 0.00 0.21 0.00 0.00 175.17 175.06 2ron n LEU 175 N 7.31 0.78 -4.76 1.23 -0.00 -1.26 -5.08 117.00 115.23 2ron n LEU 175 Ca 0.14 -0.78 -0.30 0.00 -0.00 0.00 0.00 56.01 55.08 2ron n LEU 175 Cb 0.48 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 44.02 2ron n LEU 175 CO 0.58 0.20 0.69 0.00 -0.00 0.00 0.00 177.39 178.85 2ron s ALA 176 N -0.18 1.79 -1.11 1.47 0.00 -1.26 -4.24 121.76 118.23 2ron s ALA 176 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 51.96 51.71 2ron s ALA 176 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2ron s ALA 176 CO 0.00 -2.15 0.92 1.04 0.00 0.00 0.00 175.76 175.57 2ron n GLN 177 N -3.72 -3.55 -3.71 0.00 6.02 -1.09 -4.98 117.38 106.35 2ron n GLN 177 Ca 0.07 0.82 -0.16 0.00 -0.01 0.00 0.00 57.00 57.71 2ron n GLN 177 Cb 0.56 -5.68 -0.16 0.00 1.02 0.00 0.00 30.24 25.98 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ron s ILE 178 N -3.40 -0.12 -0.29 5.09 -1.09 -1.26 -5.06 121.20 115.07 2ron s ILE 178 Ca 0.31 0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.87 2ron s ILE 178 Cb -0.05 -0.19 0.15 0.00 -1.58 0.00 0.00 42.46 40.79 2ron s ILE 178 CO 0.75 0.12 0.94 0.00 -1.23 0.00 0.00 174.94 175.53 2ron s GLN 179 N 1.68 0.39 0.09 2.79 -2.07 -1.26 -3.23 119.66 118.05 2ron s GLN 179 Ca -0.02 0.76 0.00 0.00 -1.82 0.00 0.00 55.36 54.28 2ron s GLN 179 Cb -0.12 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.02 2ron s GLN 179 CO -0.04 -0.10 0.00 0.43 -1.32 0.00 0.00 175.29 174.26 2ron n SER 180 N 4.19 -0.79 -2.61 12.60 7.64 -1.26 -4.74 113.62 128.65 2ron n SER 180 Ca -0.16 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2ron n SER 180 Cb 0.56 0.99 0.00 0.00 -1.01 0.00 0.00 64.21 64.74 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 -2.55 -0.82 -4.20 1.43 -0.04 -1.26 -3.92 135.00 123.65 2ron n PRO 181 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2ron n PRO 181 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 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 -0.90 3.58 -0.08 0.52 1.01 -1.24 -3.21 120.40 120.08 2ron s VAL 182 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2ron s VAL 182 Cb 0.00 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.83 2ron s VAL 182 CO 0.00 0.45 0.10 -1.00 0.00 0.00 0.00 175.10 174.66 2ron s HIS 183 N 0.94 -0.01 -0.04 5.22 3.76 -0.80 -1.77 115.29 122.59 2ron s HIS 183 Ca -0.00 0.28 0.07 0.00 -0.15 0.00 0.00 55.06 55.25 2ron s HIS 183 Cb -0.15 -0.44 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 2ron s HIS 183 CO 0.01 -0.29 -0.25 0.08 -0.85 0.00 0.00 174.74 173.44 2ron s VAL 184 N 2.21 2.04 -0.06 -0.90 1.01 -1.19 -3.64 120.40 119.86 2ron s VAL 184 Ca 0.04 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.99 2ron s VAL 184 Cb -0.13 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2ron s VAL 184 CO -0.05 0.57 -0.21 -0.36 0.00 0.00 0.00 175.10 175.05 2ron s PHE 185 N -0.32 2.54 0.22 5.22 0.08 0.35 -2.51 117.98 123.56 2ron s PHE 185 Ca 0.01 -0.57 -0.01 0.00 0.12 0.00 0.00 56.93 56.49 2ron s PHE 185 Cb -0.12 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 2ron s PHE 185 CO 0.02 -0.11 0.17 -0.80 -0.10 0.00 0.00 175.22 174.39 2ron s ASN 186 N -0.25 0.29 0.17 1.36 -0.87 -1.09 -1.86 114.94 112.69 2ron s ASN 186 Ca -0.00 -1.40 0.00 0.00 -1.57 0.00 0.00 52.86 49.89 2ron s ASN 186 Cb -0.13 0.41 0.00 0.00 -0.02 0.00 0.00 41.25 41.51 2ron s ASN 186 CO 0.03 -0.88 0.00 0.61 -2.57 0.00 0.00 177.10 174.29 2ron n GLY 187 N -0.31 1.11 4.04 0.66 0.00 -0.30 -3.67 105.19 106.73 2ron n GLY 187 Ca 0.02 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.13 -0.55 0.99 -0.00 -1.08 -3.08 117.00 113.15 2ron n LEU 188 Ca 0.00 -1.10 0.04 0.00 -0.00 0.00 0.00 56.01 54.95 2ron n LEU 188 Cb 0.00 -1.32 0.12 0.00 -0.00 0.00 0.00 43.42 42.22 2ron n LEU 188 CO 0.00 0.68 0.59 0.47 -0.00 0.00 0.00 177.39 179.12 2ron n ASP 189 N -1.68 1.58 -0.02 1.45 8.00 -1.26 -3.25 116.55 121.37 2ron n ASP 189 Ca -0.11 -2.04 -0.03 0.00 0.71 0.00 0.00 54.79 53.32 2ron n ASP 189 Cb 0.48 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 2ron n ASP 189 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2ron n ASP 190 N 0.28 0.84 -4.30 -2.24 5.68 -1.26 0.04 116.55 115.58 2ron n ASP 190 Ca 0.09 0.13 -0.27 0.00 -0.50 0.00 0.00 54.79 54.24 2ron n ASP 190 Cb 0.27 -0.46 -0.14 0.00 -1.14 0.00 0.00 41.12 39.65 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2ron s LYS 191 N -1.81 1.50 -0.00 0.11 2.20 -1.26 -2.47 119.74 118.01 2ron s LYS 191 Ca -0.09 -1.07 0.01 0.00 -0.36 0.00 0.00 55.97 54.46 2ron s LYS 191 Cb 0.01 -1.70 -0.01 0.00 -1.51 0.00 0.00 37.83 34.62 2ron s LYS 191 CO 0.14 0.43 0.04 1.17 -0.36 0.00 0.00 175.35 176.77 2ron n LYS 192 N 1.63 5.91 -0.07 4.03 4.81 -1.26 -4.63 118.16 128.58 2ron n LYS 192 Ca -0.17 -0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.12 2ron n LYS 192 Cb 0.53 -0.60 -0.05 0.00 0.02 0.00 0.00 35.03 34.92 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 0.45 1.24 0.53 0.00 -0.00 -1.98 -0.60 117.51 117.14 2ron h ILE 194 Ca 0.01 -1.13 -0.03 0.00 -0.00 0.00 0.00 64.86 63.72 2ron h ILE 194 Cb 1.03 1.58 0.01 0.00 -0.00 0.00 0.00 36.82 39.44 2ron h ILE 194 CO 0.10 0.33 -0.26 -0.09 -0.00 0.00 0.00 178.15 178.23 2ron h ARG 195 N 0.03 -0.69 0.00 2.19 1.12 -1.80 -1.83 114.38 113.41 2ron h ARG 195 Ca 0.00 0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 2ron h ARG 195 Cb 0.58 0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2ron h ARG 195 CO 0.04 -0.46 -0.16 0.22 -3.11 0.00 0.00 179.97 176.51 2ron h ASP 196 N -0.82 0.00 0.16 -3.80 3.58 -1.56 0.66 116.42 114.63 2ron h ASP 196 Ca -0.07 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2ron h ASP 196 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2ron h ASP 196 CO 0.12 0.16 -0.08 0.00 -2.88 0.00 0.00 179.24 176.56 2ron h ALA 197 N 1.84 -0.98 -0.00 -0.78 0.00 -1.04 0.51 119.26 118.80 2ron h ALA 197 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ron h ALA 197 Cb 0.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ron h ALA 197 CO 0.02 -0.97 -0.02 -0.85 0.00 0.00 0.00 179.25 177.43 2ron n GLU 198 N -2.62 0.93 0.01 0.00 -0.00 -0.70 -1.91 120.64 116.35 2ron n GLU 198 Ca -0.03 -0.18 0.11 0.00 -0.00 0.00 0.00 57.16 57.06 2ron n GLU 198 Cb 0.09 -1.50 -0.12 0.00 -0.00 0.00 0.00 31.44 29.91 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ron n GLY 199 N 1.13 -1.08 0.00 -1.84 0.00 0.23 -4.40 105.19 99.23 2ron n GLY 199 Ca 0.20 -0.49 0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.13 0.00 -0.19 1.61 -0.00 0.16 -4.53 117.44 112.36 2ron n TRP 200 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.64 2ron n TRP 200 Cb 0.51 -0.12 0.49 0.00 -0.00 0.00 0.00 31.31 32.19 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 0.43 0.00 5.87 5.09 -1.53 0.28 116.57 126.71 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 0.27 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 32.50 2ron h LYS 201 CO 0.00 0.29 -0.46 1.57 -2.09 0.00 0.00 179.45 178.75 2ron h LYS 202 N 0.45 0.00 -1.82 0.07 2.10 -1.81 -3.48 116.57 112.08 2ron h LYS 202 Ca 0.40 0.00 -0.42 0.00 -2.00 0.00 0.00 60.65 58.63 2ron h LYS 202 Cb 0.91 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.13 2ron h LYS 202 CO -0.14 0.00 -0.45 0.91 -2.00 0.00 0.00 179.45 177.77 2ron n TRP 203 N -2.69 -0.41 -3.24 0.07 7.02 0.98 -2.65 117.44 116.52 2ron n TRP 203 Ca 0.03 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.11 2ron n TRP 203 Cb 0.51 -3.68 -0.07 0.00 -2.42 0.00 0.00 31.31 25.65 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 -2.88 3.57 -0.34 6.99 0.00 -1.26 -4.56 121.76 123.29 2ron s ALA 204 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2ron s ALA 204 Cb 0.00 -2.86 0.10 0.00 0.00 0.00 0.00 23.12 20.36 2ron s ALA 204 CO 0.00 -0.62 0.10 -1.59 0.00 0.00 0.00 175.76 173.65 2ron s LYS 205 N 2.04 1.03 0.60 0.00 0.00 -1.20 -4.97 119.74 117.25 2ron s LYS 205 Ca 0.22 -1.45 -0.18 0.00 0.00 0.00 0.00 55.97 54.56 2ron s LYS 205 Cb -0.15 -2.41 -0.06 0.00 0.00 0.00 0.00 37.83 35.20 2ron s LYS 205 CO 0.09 -1.00 0.77 -0.25 0.00 0.00 0.00 175.35 174.97 2ron n ASP 206 N 4.48 -0.05 0.05 0.03 8.00 -1.26 -4.66 116.55 123.13 2ron n ASP 206 Ca 0.01 0.76 0.22 0.00 0.71 0.00 0.00 54.79 56.48 2ron n ASP 206 Cb 0.41 -1.30 0.70 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.28 0.30 -2.49 0.53 2.10 -1.66 -3.26 117.51 113.31 2ron h ILE 207 Ca -0.47 0.00 -0.53 0.00 1.08 0.00 0.00 64.86 64.94 2ron h ILE 207 Cb 1.38 0.54 -0.38 0.00 -1.09 0.00 0.00 36.82 37.27 2ron h ILE 207 CO 0.49 0.00 -0.80 -0.89 -1.08 0.00 0.00 178.15 175.86 2ron s THR 208 N -4.57 -0.00 0.22 2.19 2.01 -1.25 -5.07 115.64 109.17 2ron s THR 208 Ca -0.04 -1.39 0.05 0.00 0.31 0.00 0.00 61.69 60.63 2ron s THR 208 Cb 0.15 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 2ron s THR 208 CO 0.52 -0.86 -0.07 0.72 -0.69 0.00 0.00 174.62 174.25 2ron s PHE 209 N 1.35 1.61 -0.27 4.92 -0.71 -1.23 -1.90 117.98 121.74 2ron s PHE 209 Ca 0.16 -0.76 -0.23 0.00 -1.04 0.00 0.00 56.93 55.06 2ron s PHE 209 Cb -0.20 -0.87 0.07 0.00 -1.21 0.00 0.00 43.02 40.81 2ron s PHE 209 CO -0.07 0.14 0.72 -1.58 -1.34 0.00 0.00 175.22 173.09 2ron s HIS 210 N -3.22 -0.85 0.03 3.49 2.46 -1.24 -4.97 115.29 110.99 2ron s HIS 210 Ca 0.25 1.97 0.05 0.00 0.47 0.00 0.00 55.06 57.79 2ron s HIS 210 Cb 0.03 0.36 -0.03 0.00 -0.13 0.00 0.00 32.58 32.81 2ron s HIS 210 CO 0.07 -0.41 -0.11 -0.65 -2.47 0.00 0.00 174.74 171.16 2ron s GLN 211 N 0.70 2.32 -0.27 2.88 1.11 -1.25 -0.50 119.66 124.65 2ron s GLN 211 Ca -0.02 -0.86 -0.02 0.00 0.01 0.00 0.00 55.36 54.47 2ron s GLN 211 Cb -0.05 -2.36 0.12 0.00 -1.01 0.00 0.00 33.01 29.71 2ron s GLN 211 CO -0.04 0.57 0.25 0.12 0.01 0.00 0.00 175.29 176.19 2ron s PHE 212 N -0.99 -0.29 0.04 0.91 5.36 -0.77 -4.97 117.98 117.26 2ron s PHE 212 Ca 0.17 -0.21 0.04 0.00 -0.96 0.00 0.00 56.93 55.97 2ron s PHE 212 Cb -0.11 -0.52 -0.04 0.00 -0.34 0.00 0.00 43.02 42.02 2ron s PHE 212 CO 0.07 -0.84 -0.04 0.16 -1.46 0.00 0.00 175.22 173.12 2ron s ASP 213 N 2.31 4.81 0.00 6.13 -4.77 -1.26 -1.15 116.67 122.74 2ron s ASP 213 Ca 0.09 -0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 2ron s ASP 213 Cb -0.15 -1.13 0.00 0.00 -1.09 0.00 0.00 42.92 40.55 2ron s ASP 213 CO -0.29 0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.43 2ron n GLY 214 N 1.14 -0.26 0.00 2.12 0.00 -1.18 -4.70 105.19 102.31 2ron n GLY 214 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N 1.93 0.77 0.15 -0.02 0.00 -1.20 -4.83 105.19 102.00 2ron n GLY 215 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.40 2ron n GLY 215 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ron n HIS 216 N 0.00 0.00 -0.69 1.61 8.25 0.11 -3.68 115.22 120.82 2ron n HIS 216 Ca 0.00 -0.35 -0.33 0.00 -0.26 0.00 0.00 57.72 56.78 2ron n HIS 216 Cb 0.00 -0.06 0.17 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.46 -1.52 -0.05 -0.41 0.00 -1.03 -3.93 117.12 109.72 2ron n MET 217 Ca 0.04 -0.43 0.24 0.00 0.00 0.00 0.00 57.70 57.55 2ron n MET 217 Cb 0.53 -1.67 0.72 0.00 0.00 0.00 0.00 33.22 32.80 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 -2.01 0.00 0.00 1.12 3.57 -1.90 0.19 116.94 117.90 2ron h PHE 218 Ca -0.53 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 60.67 2ron h PHE 218 Cb 1.36 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 2ron h PHE 218 CO 0.15 0.00 -2.01 1.28 -2.23 0.00 0.00 178.31 175.50 2ron n LEU 219 N -4.10 1.65 -0.14 0.59 7.99 -1.26 -4.41 117.00 117.31 2ron n LEU 219 Ca 0.13 0.15 -0.04 0.00 -0.01 0.00 0.00 56.01 56.25 2ron n LEU 219 Cb 0.78 -0.55 0.02 0.00 -0.11 0.00 0.00 43.42 43.57 2ron n LEU 219 CO 0.35 0.47 0.77 -0.07 -1.51 0.00 0.00 177.39 177.39 2ron h LEU 220 N -0.51 -0.44 -0.56 2.23 3.38 -1.83 0.93 115.31 118.51 2ron h LEU 220 Ca -0.44 0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.77 2ron h LEU 220 Cb 1.44 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 42.40 2ron h LEU 220 CO -0.23 -0.16 0.08 -1.28 0.09 0.00 0.00 178.44 176.95 2ron h SER 221 N -0.01 -0.07 0.07 -0.43 0.87 -1.03 -2.30 113.55 110.66 2ron h SER 221 Ca 0.22 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2ron h SER 221 Cb 0.34 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2ron h SER 221 CO -0.47 -0.01 -0.04 1.56 -0.53 0.00 0.00 176.83 177.34 2ron h GLN 222 N 0.21 -0.10 -6.02 2.24 4.20 -1.42 -3.38 115.11 110.84 2ron h GLN 222 Ca 0.29 0.01 -0.49 0.00 0.06 0.00 0.00 58.65 58.51 2ron h GLN 222 Cb 0.42 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 2ron h GLN 222 CO -0.40 0.12 1.18 0.99 -0.67 0.00 0.00 178.83 180.06 2ron s THR 223 N -5.35 3.68 0.35 -0.54 2.01 0.20 -4.80 115.64 111.20 2ron s THR 223 Ca -0.14 -0.33 0.23 0.00 0.31 0.00 0.00 61.69 61.76 2ron s THR 223 Cb 0.04 -4.60 0.23 0.00 0.01 0.00 0.00 72.50 68.19 2ron s THR 223 CO 0.65 -1.52 1.97 -0.33 -0.69 0.00 0.00 174.62 174.70 2ron h GLU 224 N 10.89 0.00 0.22 4.92 5.08 -1.74 -3.13 114.58 130.82 2ron h GLU 224 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2ron h GLU 224 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2ron h GLU 224 CO 1.31 0.20 -0.18 1.49 -1.00 0.00 0.00 179.01 180.83 2ron h GLU 225 N 0.00 -0.37 -0.94 2.33 4.57 -1.90 -1.94 114.58 116.33 2ron h GLU 225 Ca -0.00 0.03 0.17 0.00 -1.18 0.00 0.00 59.36 58.38 2ron h GLU 225 Cb 0.48 0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.05 2ron h GLU 225 CO 0.03 -0.25 0.53 -0.39 -1.18 0.00 0.00 179.01 177.75 2ron h VAL 226 N -0.38 0.70 0.03 0.32 -1.51 -1.91 -0.24 116.25 113.26 2ron h VAL 226 Ca -0.03 -0.24 0.02 0.00 -1.23 0.00 0.00 66.70 65.23 2ron h VAL 226 Cb 0.32 -0.05 -0.05 0.00 -2.13 0.00 0.00 31.29 29.38 2ron h VAL 226 CO -0.00 0.13 -0.47 0.00 -1.23 0.00 0.00 177.57 176.00 2ron h ALA 227 N 1.62 -0.81 -0.02 5.19 0.00 -1.44 0.40 119.26 124.20 2ron h ALA 227 Ca 0.53 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 2ron h ALA 227 Cb 0.81 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2ron h ALA 227 CO -0.38 -1.03 -0.25 1.49 0.00 0.00 0.00 179.25 179.07 2ron h GLU 228 N -0.64 0.03 0.54 0.00 4.57 -0.68 -2.14 114.58 116.26 2ron h GLU 228 Ca 0.03 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2ron h GLU 228 Cb 0.70 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2ron h GLU 228 CO -0.32 0.28 -0.26 0.00 -1.18 0.00 0.00 179.01 177.53 2ron h ARG 229 N 0.03 -0.70 0.39 1.92 2.47 0.16 0.84 114.38 119.48 2ron h ARG 229 Ca 0.00 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2ron h ARG 229 Cb 0.46 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2ron h ARG 229 CO 0.03 -0.44 -0.19 0.82 0.56 0.00 0.00 179.97 180.76 2ron h ILE 230 N -0.79 0.62 -0.61 2.04 5.03 -0.89 -2.74 117.51 120.18 2ron h ILE 230 Ca -0.07 -0.23 0.12 0.00 -0.12 0.00 0.00 64.86 64.56 2ron h ILE 230 Cb 0.58 0.74 -0.09 0.00 -3.03 0.00 0.00 36.82 35.02 2ron h ILE 230 CO 0.12 0.04 0.13 0.15 -0.68 0.00 0.00 178.15 177.91 2ron h PHE 231 N -0.65 0.20 0.11 1.37 3.04 -1.42 0.25 116.94 119.83 2ron h PHE 231 Ca -0.05 0.04 0.01 0.00 3.98 0.00 0.00 57.97 61.94 2ron h PHE 231 Cb 0.47 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.95 2ron h PHE 231 CO -0.02 -0.04 -0.44 0.00 -2.02 0.00 0.00 178.31 175.80 2ron h ALA 232 N 1.49 -0.93 0.00 2.41 0.00 -0.73 -0.73 119.26 120.77 2ron h ALA 232 Ca 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2ron h ALA 232 Cb 0.48 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2ron h ALA 232 CO -0.41 -1.03 -0.07 0.97 0.00 0.00 0.00 179.25 178.71 2ron h ILE 233 N -0.63 0.52 -0.26 0.00 6.09 -1.16 -0.61 117.51 121.47 2ron h ILE 233 Ca -0.01 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 63.17 2ron h ILE 233 Cb 0.63 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.10 2ron h ILE 233 CO -0.23 0.07 0.12 0.25 -3.07 0.00 0.00 178.15 175.29 2ron h LEU 234 N 0.00 0.35 0.00 2.19 7.12 0.90 0.38 115.31 126.25 2ron h LEU 234 Ca -0.00 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2ron h LEU 234 Cb 0.19 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.23 2ron h LEU 234 CO 0.01 0.39 -0.47 -0.55 -0.13 0.00 0.00 178.44 177.68 2ron h ASN 235 N 0.29 0.00 -0.02 1.25 7.08 -0.89 -3.24 115.58 120.05 2ron h ASN 235 Ca 0.09 -0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 2ron h ASN 235 Cb 0.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.38 2ron h ASN 235 CO -0.01 0.03 -0.01 0.00 -2.08 0.00 0.00 177.43 175.36 2ron n GLN 236 N -2.58 2.00 -0.02 4.14 6.02 -0.27 -4.45 117.38 122.22 2ron n GLN 236 Ca 0.03 -1.48 -0.13 0.00 -0.01 0.00 0.00 57.00 55.41 2ron n GLN 236 Cb 0.50 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.22 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 3.61 -1.32 0.00 1.08 -0.00 -0.27 0.14 115.15 118.39 2ron h HIS 237 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2ron h HIS 237 Cb 0.77 0.60 0.00 0.00 -0.00 0.00 0.00 27.41 28.78 2ron h HIS 237 CO 0.00 -0.49 0.00 -0.35 -0.00 0.00 0.00 177.93 177.09 2ron n PRO 238 N -5.43 0.08 -3.92 5.26 -0.04 -1.26 -4.72 135.00 124.96 2ron n PRO 238 Ca -0.04 0.22 -0.32 0.00 -0.04 0.00 0.00 63.50 63.31 2ron n PRO 238 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2ron n PRO 238 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ron s ILE 239 N -2.84 5.36 0.13 0.52 -1.09 0.49 -5.11 121.20 118.65 2ron s ILE 239 Ca 0.09 -0.30 0.10 0.00 -2.23 0.00 0.00 60.65 58.32 2ron s ILE 239 Cb 0.09 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 2ron s ILE 239 CO 0.25 0.23 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.34 2ron s ILE 240 N -1.41 2.59 0.06 2.92 -1.09 -1.26 -4.92 121.20 118.08 2ron s ILE 240 Ca 0.31 -1.64 -0.08 0.00 -2.23 0.00 0.00 60.65 57.01 2ron s ILE 240 Cb -0.13 -2.17 -0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2ron s ILE 240 CO 0.23 0.08 0.18 0.00 -1.23 0.00 0.00 174.94 174.20 2ron s GLN 241 N -2.14 0.75 0.00 2.79 -2.07 -1.26 -5.20 119.66 112.54 2ron s GLN 241 Ca 0.16 -0.82 0.16 0.00 -1.82 0.00 0.00 55.36 53.04 2ron s GLN 241 Cb -0.10 0.31 0.93 0.00 -1.09 0.00 0.00 33.01 33.05 2ron s GLN 241 CO 0.08 -0.22 1.34 -0.35 -1.32 0.00 0.00 175.29 174.82