#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 -0.31 0.71 7.83 0.15 -1.18 -4.31 113.70 116.60 2ron s SER 2 Ca 0.00 0.38 -0.09 0.00 0.70 0.00 0.00 55.95 56.94 2ron s SER 2 Cb 0.00 1.34 0.05 0.00 -1.71 0.00 0.00 66.02 65.69 2ron s SER 2 CO 0.00 -0.06 1.06 -1.58 1.20 0.00 0.00 173.24 173.86 2ron s GLN 3 N 2.35 2.43 -0.08 5.44 0.74 0.04 -3.34 119.66 127.24 2ron s GLN 3 Ca -0.01 0.08 -0.04 0.00 0.05 0.00 0.00 55.36 55.44 2ron s GLN 3 Cb -0.04 -2.09 0.04 0.00 1.10 0.00 0.00 33.01 32.02 2ron s GLN 3 CO -0.16 -1.20 0.18 -0.48 -0.55 0.00 0.00 175.29 173.09 2ron s LEU 4 N -5.33 0.66 -0.11 3.68 2.34 -1.26 -1.37 118.68 117.30 2ron s LEU 4 Ca 0.59 0.38 -0.21 0.00 0.06 0.00 0.00 54.13 54.95 2ron s LEU 4 Cb -0.11 0.51 -0.04 0.00 -0.56 0.00 0.00 46.19 46.00 2ron s LEU 4 CO 0.48 -0.15 0.61 0.12 -1.06 0.00 0.00 176.35 176.35 2ron s PHE 5 N 1.11 3.51 0.10 3.48 5.36 -0.35 -4.93 117.98 126.27 2ron s PHE 5 Ca -0.08 1.06 0.05 0.00 -0.96 0.00 0.00 56.93 57.00 2ron s PHE 5 Cb -0.10 -2.72 -0.04 0.00 -0.34 0.00 0.00 43.02 39.82 2ron s PHE 5 CO -0.06 0.06 -0.13 -1.59 -1.46 0.00 0.00 175.22 172.04 2ron s LYS 6 N 0.97 0.91 -0.30 10.12 0.00 -1.26 -1.09 119.74 129.10 2ron s LYS 6 Ca 0.32 -1.15 -0.05 0.00 0.00 0.00 0.00 55.97 55.09 2ron s LYS 6 Cb -0.16 -0.75 0.19 0.00 0.00 0.00 0.00 37.83 37.10 2ron s LYS 6 CO 0.14 0.14 0.85 0.45 0.00 0.00 0.00 175.35 176.93 2ron s SER 7 N -2.29 -0.93 0.48 0.03 0.15 0.20 -4.98 113.70 106.36 2ron s SER 7 Ca 0.05 0.25 0.03 0.00 0.70 0.00 0.00 55.95 56.99 2ron s SER 7 Cb -0.05 1.65 0.02 0.00 -1.71 0.00 0.00 66.02 65.92 2ron s SER 7 CO 0.02 -0.17 0.67 0.72 1.20 0.00 0.00 173.24 175.68 2ron s PHE 8 N 2.90 2.94 -0.25 3.44 -0.12 -1.26 -0.76 117.98 124.86 2ron s PHE 8 Ca 0.16 -0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.91 2ron s PHE 8 Cb -0.08 -2.50 0.14 0.00 -0.63 0.00 0.00 43.02 39.95 2ron s PHE 8 CO -0.21 -0.58 0.43 0.34 -0.05 0.00 0.00 175.22 175.15 2ron s ASP 9 N -4.34 -0.14 -1.88 1.98 2.15 -1.26 -4.88 116.67 108.30 2ron s ASP 9 Ca 0.54 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.97 2ron s ASP 9 Cb -0.10 1.36 0.00 0.00 -0.30 0.00 0.00 42.92 43.88 2ron s ASP 9 CO 0.36 -0.28 0.00 0.00 -0.17 0.00 0.00 175.17 175.08 2ron n ALA 10 N 5.38 -0.27 -3.87 3.66 0.00 -1.26 -3.10 120.51 121.05 2ron n ALA 10 Ca -0.04 0.29 -0.39 0.00 0.00 0.00 0.00 53.44 53.30 2ron n ALA 10 Cb 0.50 -1.85 0.03 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.94 -4.79 0.00 0.00 3.41 -1.26 -4.93 113.62 105.11 2ron n SER 11 Ca -0.18 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 2ron n SER 11 Cb 0.59 -2.56 0.00 0.00 -0.26 0.00 0.00 64.21 61.98 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 -4.60 0.00 -3.69 4.33 4.07 -1.18 -4.99 120.64 114.58 2ron n GLU 12 Ca -0.10 0.48 -0.11 0.00 -0.06 0.00 0.00 57.16 57.37 2ron n GLU 12 Cb 0.58 -0.98 -0.10 0.00 -0.06 0.00 0.00 31.44 30.88 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 -0.99 0.45 -0.74 5.31 1.02 -1.26 -4.85 119.74 118.68 2ron s LYS 13 Ca 0.00 0.81 -0.27 0.00 0.02 0.00 0.00 55.97 56.54 2ron s LYS 13 Cb 0.00 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2ron s LYS 13 CO 0.00 -0.14 1.34 0.99 -0.92 0.00 0.00 175.35 176.62 2ron s THR 14 N 1.22 3.69 -0.46 2.17 2.01 -1.22 -1.01 115.64 122.04 2ron s THR 14 Ca -0.08 0.35 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 2ron s THR 14 Cb -0.07 -4.83 0.10 0.00 0.01 0.00 0.00 72.50 67.70 2ron s THR 14 CO -0.11 -1.77 0.34 -1.10 -0.69 0.00 0.00 174.62 171.28 2ron s GLN 15 N 5.84 2.68 -0.20 4.92 -0.21 -1.15 -1.51 119.66 130.03 2ron s GLN 15 Ca 0.38 -1.57 -0.10 0.00 0.02 0.00 0.00 55.36 54.10 2ron s GLN 15 Cb -0.08 -3.96 -0.05 0.00 1.00 0.00 0.00 33.01 29.92 2ron s GLN 15 CO 0.15 -1.09 0.12 -1.17 -2.12 0.00 0.00 175.29 171.18 2ron s LEU 16 N 1.47 4.18 0.00 2.90 0.20 0.27 -2.12 118.68 125.57 2ron s LEU 16 Ca 0.04 0.22 0.02 0.00 0.69 0.00 0.00 54.13 55.10 2ron s LEU 16 Cb -0.25 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.42 2ron s LEU 16 CO 0.02 0.18 0.41 2.30 -0.29 0.00 0.00 176.35 178.97 2ron n ILE 17 N 3.51 0.00 -3.15 6.68 -6.64 0.12 -1.05 119.36 118.83 2ron n ILE 17 Ca -0.16 -2.06 0.05 0.00 -1.77 0.00 0.00 62.75 58.80 2ron n ILE 17 Cb 0.52 1.16 -0.01 0.00 -1.44 0.00 0.00 39.64 39.87 2ron n ILE 17 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2ron n PHE 19 N 5.38 -1.96 -1.06 0.00 3.72 -1.26 -4.62 117.46 117.66 2ron n PHE 19 Ca 0.02 0.52 -0.30 0.00 -0.05 0.00 0.00 57.45 57.63 2ron n PHE 19 Cb 0.54 -3.57 0.26 0.00 -0.94 0.00 0.00 39.48 35.76 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 -5.84 -1.65 -0.06 -1.08 0.04 -1.26 -4.93 135.00 120.23 2ron s PRO 20 Ca 0.43 -0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.21 2ron s PRO 20 Cb -0.14 -1.56 0.02 0.00 0.04 0.00 0.00 34.50 32.86 2ron s PRO 20 CO 0.85 -3.96 0.15 -0.59 0.04 0.00 0.00 177.00 173.48 2ron s PHE 21 N -3.02 -0.16 0.02 0.56 -0.71 -1.26 -5.08 117.98 108.33 2ron s PHE 21 Ca 0.72 0.43 -0.13 0.00 -1.04 0.00 0.00 56.93 56.92 2ron s PHE 21 Cb -0.07 -0.00 -0.07 0.00 -1.21 0.00 0.00 43.02 41.67 2ron s PHE 21 CO 0.56 -0.12 1.19 0.00 -1.34 0.00 0.00 175.22 175.51 2ron h ALA 22 N 6.51 -1.09 -0.55 1.99 0.00 -1.99 -3.42 119.26 120.71 2ron h ALA 22 Ca -0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ron h ALA 22 Cb 1.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ron h ALA 22 CO 0.42 -1.06 0.00 0.41 0.00 0.00 0.00 179.25 179.02 2ron n GLY 23 N -1.23 2.82 0.00 0.00 0.00 -1.26 -2.34 105.19 103.18 2ron n GLY 23 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.65 105.19 99.53 2ron n GLY 24 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.16 -0.09 1.61 -0.00 -1.91 -1.56 116.97 115.19 2ron h TYR 25 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 2ron h TYR 25 Cb 0.65 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 37.33 2ron h TYR 25 CO 0.00 0.14 -0.17 0.77 -0.00 0.00 0.00 178.16 178.90 2ron h SER 26 N 0.17 0.30 -0.50 0.10 0.02 -1.71 -1.75 113.55 110.18 2ron h SER 26 Ca 0.04 -0.56 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 2ron h SER 26 Cb 0.04 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2ron h SER 26 CO -0.00 0.80 0.24 0.00 -1.14 0.00 0.00 176.83 176.73 2ron h ALA 27 N 0.50 1.42 -0.07 3.77 0.00 -1.62 0.36 119.26 123.62 2ron h ALA 27 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2ron h ALA 27 Cb 0.75 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2ron h ALA 27 CO 0.04 0.45 -0.69 0.66 0.00 0.00 0.00 179.25 179.70 2ron h SER 28 N 0.75 0.38 1.84 0.00 4.64 -1.29 -3.02 113.55 116.86 2ron h SER 28 Ca 0.19 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2ron h SER 28 Cb 0.11 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2ron h SER 28 CO -0.02 0.96 0.00 0.15 -0.87 0.00 0.00 176.83 177.05 2ron h PHE 29 N 0.23 0.00 0.10 4.77 3.04 -0.75 -3.26 116.94 121.07 2ron h PHE 29 Ca -0.02 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.94 2ron h PHE 29 Cb 1.25 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.71 2ron h PHE 29 CO 0.03 0.00 -0.51 -0.09 -2.02 0.00 0.00 178.31 175.72 2ron h ARG 30 N 0.00 -0.70 -0.12 1.11 9.65 -0.80 0.43 114.38 123.95 2ron h ARG 30 Ca 0.00 0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 2ron h ARG 30 Cb 0.92 0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2ron h ARG 30 CO 0.00 -0.47 -0.12 -1.00 2.80 0.00 0.00 179.97 181.18 2ron h PRO 31 N -0.72 0.29 0.31 0.20 0.13 -1.71 -1.39 132.00 129.11 2ron h PRO 31 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2ron h PRO 31 Cb 0.74 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 2ron h PRO 31 CO -0.29 0.70 -0.37 1.25 -0.23 0.00 0.00 178.00 179.06 2ron h LEU 32 N -0.10 -1.01 -0.72 1.56 5.85 -1.57 0.44 115.31 119.75 2ron h LEU 32 Ca 0.02 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2ron h LEU 32 Cb 0.64 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2ron h LEU 32 CO 0.03 -0.50 0.44 -0.74 -0.34 0.00 0.00 178.44 177.33 2ron h HIS 33 N -0.72 0.95 0.00 1.25 2.76 -0.23 -0.56 115.15 118.60 2ron h HIS 33 Ca -0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2ron h HIS 33 Cb 0.67 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2ron h HIS 33 CO -0.23 0.63 0.00 0.00 -1.30 0.00 0.00 177.93 177.03 2ron n ALA 34 N -2.32 2.18 0.45 5.26 0.00 -0.52 -0.02 120.51 125.53 2ron n ALA 34 Ca 0.06 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2ron n ALA 34 Cb 0.05 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 2ron n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ron n PHE 35 N -1.22 0.00 -0.04 0.00 7.35 0.15 -4.55 117.46 119.15 2ron n PHE 35 Ca 0.12 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.76 2ron n PHE 35 Cb 0.15 -0.23 -0.04 0.00 0.35 0.00 0.00 39.48 39.71 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 -1.83 1.68 -4.15 -2.13 7.94 -0.80 -5.06 117.00 112.65 2ron n LEU 36 Ca -0.00 -0.02 -0.16 0.00 -1.11 0.00 0.00 56.01 54.71 2ron n LEU 36 Cb 0.42 -0.09 -0.05 0.00 0.53 0.00 0.00 43.42 44.23 2ron n LEU 36 CO 0.41 0.42 0.07 0.00 -1.11 0.00 0.00 177.39 177.18 2ron s GLN 37 N -2.15 1.90 -0.22 1.96 0.00 0.97 -5.10 119.66 117.01 2ron s GLN 37 Ca -0.07 -1.86 -0.29 0.00 -0.00 0.00 0.00 55.36 53.14 2ron s GLN 37 Cb 0.02 0.41 0.15 0.00 0.00 0.00 0.00 33.01 33.60 2ron s GLN 37 CO 0.21 -0.76 1.15 0.20 0.00 0.00 0.00 175.29 176.09 2ron s GLY 38 N -3.29 -0.09 -1.11 2.60 0.00 -1.26 -3.69 107.32 100.48 2ron s GLY 38 Ca 0.34 2.46 -0.09 0.00 0.00 0.00 0.00 44.72 47.42 2ron s GLY 38 CO 0.23 1.18 0.87 1.18 0.00 0.00 0.00 173.10 176.57 2ron n GLU 39 N 0.83 -2.55 -2.66 2.90 1.02 -1.26 -5.01 120.64 113.91 2ron n GLU 39 Ca -0.07 0.74 -0.21 0.00 -0.02 0.00 0.00 57.16 57.59 2ron n GLU 39 Cb 0.58 -5.33 0.05 0.00 -0.02 0.00 0.00 31.44 26.73 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 -4.83 4.15 -0.21 0.00 -6.30 -0.18 -4.79 118.70 106.53 2ron s GLU 41 Ca 0.60 2.52 -0.06 0.00 -2.50 0.00 0.00 54.97 55.52 2ron s GLU 41 Cb -0.09 -3.05 -0.03 0.00 0.00 0.00 0.00 34.13 30.97 2ron s GLU 41 CO 0.40 -0.59 0.03 1.41 0.02 0.00 0.00 175.26 176.53 2ron s MET 42 N -0.39 3.67 -0.19 4.30 -2.45 0.06 -2.92 119.30 121.38 2ron s MET 42 Ca 0.63 -0.49 -0.05 0.00 -1.25 0.00 0.00 55.69 54.53 2ron s MET 42 Cb -0.46 -3.17 0.07 0.00 1.25 0.00 0.00 34.83 32.51 2ron s MET 42 CO 0.46 -0.02 0.11 -1.17 1.05 0.00 0.00 175.02 175.45 2ron s LEU 43 N 1.11 0.31 0.06 4.11 2.96 -0.90 -0.63 118.68 125.70 2ron s LEU 43 Ca 0.03 -0.64 0.09 0.00 -0.22 0.00 0.00 54.13 53.39 2ron s LEU 43 Cb -0.14 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.34 2ron s LEU 43 CO 0.02 -0.36 -0.25 0.00 -1.32 0.00 0.00 176.35 174.44 2ron s ALA 44 N 2.16 2.34 0.50 5.97 0.00 -0.25 0.15 121.76 132.62 2ron s ALA 44 Ca 0.03 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 50.49 2ron s ALA 44 Cb -0.16 -0.50 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 2ron s ALA 44 CO -0.13 0.54 1.06 0.00 0.00 0.00 0.00 175.76 177.23 2ron s ALA 45 N -0.88 2.84 0.08 0.00 0.00 -0.67 -1.21 121.76 121.91 2ron s ALA 45 Ca 0.13 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 2ron s ALA 45 Cb -0.10 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2ron s ALA 45 CO 0.03 -0.40 -0.01 -1.83 0.00 0.00 0.00 175.76 173.55 2ron s GLU 46 N -3.24 0.72 0.66 0.00 -1.05 -0.47 -4.70 118.70 110.62 2ron s GLU 46 Ca 0.68 -1.29 -0.15 0.00 -0.15 0.00 0.00 54.97 54.06 2ron s GLU 46 Cb -0.18 0.16 -0.00 0.00 -0.44 0.00 0.00 34.13 33.67 2ron s GLU 46 CO 0.21 -0.14 1.11 -1.25 0.95 0.00 0.00 175.26 176.15 2ron s PRO 47 N -3.94 2.80 1.05 -4.83 0.04 -1.26 -3.07 135.00 125.79 2ron s PRO 47 Ca 0.12 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 2ron s PRO 47 Cb 0.08 -1.95 0.26 0.00 0.04 0.00 0.00 34.50 32.93 2ron s PRO 47 CO -0.06 -1.25 0.93 -0.35 0.04 0.00 0.00 177.00 176.31 2ron n PRO 48 N -2.41 -2.83 0.00 0.56 -0.04 -1.26 -3.94 135.00 125.08 2ron n PRO 48 Ca 0.10 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 2ron n PRO 48 Cb 0.52 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -3.70 4.47 0.00 0.55 0.00 -1.26 -4.91 105.19 100.35 2ron n GLY 49 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2ron n GLY 49 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ron n HIS 50 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.83 115.22 110.74 2ron n HIS 50 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2ron n HIS 50 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2ron n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2ron n GLY 51 N 2.66 1.82 0.91 1.57 0.00 -1.26 -4.85 105.19 106.05 2ron n GLY 51 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 2.37 1.78 2.61 -2.24 -1.26 -4.59 114.28 112.95 2ron n THR 52 Ca 0.00 -2.43 0.08 0.00 -2.27 0.00 0.00 64.05 59.43 2ron n THR 52 Cb 0.00 -0.29 0.40 0.00 -2.10 0.00 0.00 70.33 68.34 2ron n THR 52 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ron n ASN 53 N -0.96 0.44 -3.43 3.42 4.13 -1.26 -4.89 115.26 112.70 2ron n ASN 53 Ca 0.26 -1.61 -0.24 0.00 1.68 0.00 0.00 54.58 54.67 2ron n ASN 53 Cb 0.92 -0.03 0.23 0.00 -1.54 0.00 0.00 39.78 39.36 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ron n GLN 54 N -0.44 -3.67 -1.56 3.52 6.02 -1.26 -0.78 117.38 119.21 2ron n GLN 54 Ca 0.12 -1.09 -0.42 0.00 -0.01 0.00 0.00 57.00 55.60 2ron n GLN 54 Cb 0.12 -1.73 0.01 0.00 1.02 0.00 0.00 30.24 29.66 2ron n GLN 54 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2ron n THR 55 N -5.18 2.27 -0.01 5.09 5.66 -1.26 -3.56 114.28 117.28 2ron n THR 55 Ca 0.10 -0.50 -0.01 0.00 -3.05 0.00 0.00 64.05 60.59 2ron n THR 55 Cb 0.48 -0.95 -0.02 0.00 -1.55 0.00 0.00 70.33 68.30 2ron n THR 55 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2ron n SER 56 N 0.75 4.49 -1.95 1.09 3.41 -1.21 -4.82 113.62 115.38 2ron n SER 56 Ca 0.10 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.55 2ron n SER 56 Cb 0.39 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 2ron n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ron n ALA 57 N -1.97 -0.54 -3.61 7.33 0.00 -1.26 -3.21 120.51 117.25 2ron n ALA 57 Ca -0.03 0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 2ron n ALA 57 Cb 0.46 -2.11 0.05 0.00 0.00 0.00 0.00 19.45 17.85 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 -4.06 -6.41 -1.22 0.00 2.08 -1.26 -4.87 119.36 103.61 2ron n ILE 58 Ca -0.17 -1.01 0.01 0.00 0.56 0.00 0.00 62.75 62.14 2ron n ILE 58 Cb 0.63 -4.70 0.23 0.00 -0.75 0.00 0.00 39.64 35.05 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ron n GLU 59 N -4.00 2.38 0.22 0.38 1.02 -1.20 -4.60 120.64 114.84 2ron n GLU 59 Ca -0.09 -3.01 0.08 0.00 -0.02 0.00 0.00 57.16 54.12 2ron n GLU 59 Cb 0.59 -1.85 0.48 0.00 -0.02 0.00 0.00 31.44 30.65 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 1.38 0.00 0.00 1.62 2.03 -1.90 -2.07 116.42 117.47 2ron h ASP 60 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 2ron h ASP 60 Cb 1.63 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.13 2ron h ASP 60 CO 0.35 0.27 0.00 -0.11 -1.03 0.00 0.00 179.24 178.72 2ron n LEU 61 N -3.71 0.00 -0.21 0.15 7.94 -1.26 -0.10 117.00 119.81 2ron n LEU 61 Ca -0.01 0.91 -0.05 0.00 -1.11 0.00 0.00 56.01 55.75 2ron n LEU 61 Cb 0.38 -0.41 0.11 0.00 0.53 0.00 0.00 43.42 44.03 2ron n LEU 61 CO 0.35 -0.41 0.97 -0.33 -1.11 0.00 0.00 177.39 176.86 2ron h GLU 62 N 0.00 1.02 0.40 1.96 5.08 -1.94 -2.12 114.58 118.98 2ron h GLU 62 Ca 0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2ron h GLU 62 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2ron h GLU 62 CO 0.00 0.89 -0.46 1.49 -1.00 0.00 0.00 179.01 179.93 2ron h GLU 63 N 0.97 -0.84 0.50 2.33 4.81 -1.33 0.24 114.58 121.27 2ron h GLU 63 Ca 0.21 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2ron h GLU 63 Cb 0.33 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2ron h GLU 63 CO -0.00 -0.56 -0.42 -0.07 -0.73 0.00 0.00 179.01 177.23 2ron h LEU 64 N -0.87 -1.10 -1.93 1.64 3.38 -0.49 0.25 115.31 116.18 2ron h LEU 64 Ca -0.05 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.14 2ron h LEU 64 Cb 0.77 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2ron h LEU 64 CO -0.09 -0.59 0.49 0.71 0.09 0.00 0.00 178.44 179.05 2ron h THR 65 N -0.91 0.36 0.00 0.22 1.35 -1.33 0.27 112.91 112.88 2ron h THR 65 Ca -0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.77 2ron h THR 65 Cb 0.78 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 2ron h THR 65 CO -0.02 0.00 -0.22 -0.78 -0.25 0.00 0.00 175.52 174.25 2ron h ASP 66 N 0.00 0.00 0.43 5.36 3.58 0.61 0.27 116.42 126.68 2ron h ASP 66 Ca 0.22 -0.67 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2ron h ASP 66 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2ron h ASP 66 CO -0.00 0.96 0.00 0.18 -2.88 0.00 0.00 179.24 177.50 2ron n LEU 67 N -4.62 0.29 -0.09 2.28 7.99 0.77 0.20 117.00 123.83 2ron n LEU 67 Ca -0.11 0.59 -0.18 0.00 -0.01 0.00 0.00 56.01 56.30 2ron n LEU 67 Cb 0.40 -0.57 -0.06 0.00 -0.11 0.00 0.00 43.42 43.09 2ron n LEU 67 CO 0.24 -0.48 -1.01 -1.22 -1.51 0.00 0.00 177.39 173.40 2ron n TYR 68 N -1.84 0.00 -0.56 -1.77 4.02 0.85 -4.58 117.16 113.29 2ron n TYR 68 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.85 2ron n TYR 68 Cb 0.14 -0.62 0.22 0.00 -0.02 0.00 0.00 39.34 39.07 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 -3.94 2.97 -0.31 -0.72 5.02 0.96 -4.52 118.16 117.61 2ron n LYS 69 Ca -0.32 -2.33 0.29 0.00 -2.02 0.00 0.00 58.31 53.93 2ron n LYS 69 Cb 0.68 -1.99 0.63 0.00 -0.02 0.00 0.00 35.03 34.33 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2ron h GLN 70 N 1.90 0.19 0.01 1.97 4.15 -0.36 -0.39 115.11 122.58 2ron h GLN 70 Ca 0.24 -0.01 -0.36 0.00 0.77 0.00 0.00 58.65 59.29 2ron h GLN 70 Cb 2.02 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.60 2ron h GLN 70 CO 0.60 0.12 -2.27 -1.91 -1.93 0.00 0.00 178.83 173.45 2ron n GLU 71 N -4.42 0.68 -1.99 1.69 0.00 -1.26 -4.98 120.64 110.36 2ron n GLU 71 Ca 0.25 0.08 -0.26 0.00 0.00 0.00 0.00 57.16 57.23 2ron n GLU 71 Cb 1.05 -1.58 0.17 0.00 0.00 0.00 0.00 31.44 31.08 2ron n GLU 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ron n LEU 72 N -2.92 0.00 -3.39 4.31 4.77 -0.15 -5.10 117.00 114.52 2ron n LEU 72 Ca -0.32 -1.56 -0.14 0.00 -0.03 0.00 0.00 56.01 53.96 2ron n LEU 72 Cb 1.11 -0.87 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 2ron n LEU 72 CO 0.41 -1.28 -0.13 0.54 -1.33 0.00 0.00 177.39 175.60 2ron s ASN 73 N -5.41 0.96 0.33 -1.43 2.20 -1.26 -4.87 114.94 105.46 2ron s ASN 73 Ca 0.69 -0.28 -0.03 0.00 -0.94 0.00 0.00 52.86 52.30 2ron s ASN 73 Cb -0.02 0.77 0.00 0.00 -2.00 0.00 0.00 41.25 40.00 2ron s ASN 73 CO 0.48 -0.34 0.47 -0.76 -2.94 0.00 0.00 177.10 174.01 2ron s LEU 74 N 2.44 0.94 0.44 3.54 1.43 -1.26 -5.17 118.68 121.04 2ron s LEU 74 Ca 0.10 -1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 51.74 2ron s LEU 74 Cb -0.14 1.48 -0.03 0.00 0.03 0.00 0.00 46.19 47.53 2ron s LEU 74 CO -0.23 -1.28 0.70 -0.13 0.23 0.00 0.00 176.35 175.65 2ron s ARG 75 N -3.15 3.43 0.00 1.70 3.00 -1.26 -5.10 118.95 117.57 2ron s ARG 75 Ca 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 55.73 55.97 2ron s ARG 75 Cb -0.00 -2.48 0.00 0.00 0.00 0.00 0.00 34.95 32.47 2ron s ARG 75 CO 0.19 -0.13 0.00 -0.35 0.00 0.00 0.00 175.30 175.01 2ron n PRO 76 N -2.11 -0.52 -2.90 3.54 -0.04 -1.26 -4.98 135.00 126.73 2ron n PRO 76 Ca -0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 2ron n PRO 76 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2ron n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ron s ASP 77 N -1.51 7.16 0.00 3.54 1.01 -1.26 -4.99 116.67 120.63 2ron s ASP 77 Ca 0.00 1.41 -0.24 0.00 0.71 0.00 0.00 52.55 54.43 2ron s ASP 77 Cb 0.00 -2.48 -0.13 0.00 1.01 0.00 0.00 42.92 41.31 2ron s ASP 77 CO 0.00 -0.17 1.01 0.03 0.21 0.00 0.00 175.17 176.25 2ron h ARG 78 N 6.72 -0.81 -7.19 8.23 3.08 -1.92 -3.45 114.38 119.04 2ron h ARG 78 Ca -0.41 0.05 -0.51 0.00 0.07 0.00 0.00 59.98 59.19 2ron h ARG 78 Cb 1.21 0.18 0.10 0.00 0.08 0.00 0.00 29.97 31.54 2ron h ARG 78 CO 0.75 -0.52 0.38 -1.25 -1.07 0.00 0.00 179.97 178.25 2ron s PRO 79 N -4.37 2.83 -0.29 0.04 0.04 -1.26 -4.25 135.00 127.73 2ron s PRO 79 Ca -0.13 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.17 2ron s PRO 79 Cb 0.01 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.73 2ron s PRO 79 CO 0.39 -1.23 0.84 0.12 0.04 0.00 0.00 177.00 177.16 2ron s PHE 80 N -2.31 -0.88 -0.08 0.56 5.36 -0.28 -3.46 117.98 116.89 2ron s PHE 80 Ca 0.67 1.64 0.02 0.00 -0.96 0.00 0.00 56.93 58.31 2ron s PHE 80 Cb -0.21 0.53 0.01 0.00 -0.34 0.00 0.00 43.02 43.01 2ron s PHE 80 CO 0.41 -0.44 -0.13 0.14 -1.46 0.00 0.00 175.22 173.74 2ron s VAL 81 N 1.99 1.28 -0.20 3.12 -7.23 -0.57 -3.86 120.40 114.93 2ron s VAL 81 Ca -0.07 -0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2ron s VAL 81 Cb -0.06 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 2ron s VAL 81 CO -0.18 0.39 -0.06 -0.22 -0.31 0.00 0.00 175.10 174.73 2ron s LEU 82 N 0.81 2.87 -0.28 1.32 0.20 -1.23 -0.57 118.68 121.79 2ron s LEU 82 Ca -0.11 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.33 2ron s LEU 82 Cb -0.15 -1.72 0.09 0.00 -0.43 0.00 0.00 46.19 43.98 2ron s LEU 82 CO 0.02 0.02 0.05 -0.36 -0.29 0.00 0.00 176.35 175.79 2ron s PHE 83 N 1.25 2.10 0.00 5.38 0.08 -0.22 -4.40 117.98 122.17 2ron s PHE 83 Ca 0.03 -1.83 0.00 0.00 0.12 0.00 0.00 56.93 55.25 2ron s PHE 83 Cb -0.14 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 2ron s PHE 83 CO -0.02 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.68 2ron n GLY 84 N 4.74 5.36 3.31 4.36 0.00 -1.26 -2.60 105.19 119.09 2ron n GLY 84 Ca -0.04 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 2.22 -0.70 -0.07 1.61 3.76 -1.26 -4.94 115.29 115.91 2ron s HIS 85 Ca 0.00 0.54 0.14 0.00 -0.15 0.00 0.00 55.06 55.59 2ron s HIS 85 Cb 0.00 -2.92 0.28 0.00 1.11 0.00 0.00 32.58 31.05 2ron s HIS 85 CO 0.00 -5.00 1.13 -1.13 -0.85 0.00 0.00 174.74 168.89 2ron n SER 86 N -5.64 1.17 0.00 1.40 3.41 -1.26 -4.01 113.62 108.69 2ron n SER 86 Ca 0.13 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2ron n SER 86 Cb 0.60 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2ron n SER 86 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2ron n MET 87 N -0.41 0.00 -3.90 4.33 0.00 -1.26 -4.76 117.12 111.11 2ron n MET 87 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.70 2ron n MET 87 Cb 0.82 -0.46 -0.05 0.00 0.00 0.00 0.00 33.22 33.52 2ron n MET 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2ron s GLY 88 N -4.95 0.31 0.00 3.17 0.00 -1.26 -5.01 107.32 99.58 2ron s GLY 88 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2ron s GLY 88 CO 0.00 -0.56 0.00 0.61 0.00 0.00 0.00 173.10 173.15 2ron n GLY 89 N -0.32 -0.25 0.29 0.20 0.00 -1.26 -4.71 105.19 99.14 2ron n GLY 89 Ca -0.06 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ron n GLY 89 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ron h MET 90 N 0.00 -0.66 -0.07 1.61 4.05 -1.97 -2.21 114.93 115.69 2ron h MET 90 Ca 0.00 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.50 2ron h MET 90 Cb 0.00 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 2ron h MET 90 CO 0.00 -0.39 -0.26 -0.84 0.23 0.00 0.00 176.91 175.64 2ron h ILE 91 N -1.13 0.40 -0.55 1.77 3.07 -1.97 0.32 117.51 119.41 2ron h ILE 91 Ca -0.07 0.00 0.11 0.00 1.55 0.00 0.00 64.86 66.45 2ron h ILE 91 Cb 0.56 0.40 -0.09 0.00 -0.27 0.00 0.00 36.82 37.42 2ron h ILE 91 CO 0.11 0.00 0.05 0.00 -1.05 0.00 0.00 178.15 177.26 2ron h THR 92 N -0.36 0.60 0.40 0.16 1.03 -1.99 -1.42 112.91 111.33 2ron h THR 92 Ca 0.08 -0.06 -0.02 0.00 -0.01 0.00 0.00 66.41 66.40 2ron h THR 92 Cb 0.48 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.99 2ron h THR 92 CO -0.28 0.03 -0.19 0.15 -0.01 0.00 0.00 175.52 175.23 2ron h PHE 93 N 0.17 -0.49 -1.13 0.00 3.04 -0.78 -2.12 116.94 115.63 2ron h PHE 93 Ca 0.29 -0.01 0.35 0.00 3.98 0.00 0.00 57.97 62.57 2ron h PHE 93 Cb 0.43 0.16 -0.13 0.00 2.56 0.00 0.00 35.95 38.98 2ron h PHE 93 CO -0.30 -0.19 0.70 -0.09 -2.02 0.00 0.00 178.31 176.41 2ron h ARG 94 N -0.77 0.25 -0.08 1.11 2.43 0.02 0.42 114.38 117.76 2ron h ARG 94 Ca -0.05 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2ron h ARG 94 Cb 0.52 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2ron h ARG 94 CO 0.09 0.16 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.45 2ron h LEU 95 N 0.25 0.31 0.75 3.80 4.07 -1.09 -2.16 115.31 121.25 2ron h LEU 95 Ca 0.73 -0.59 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 2ron h LEU 95 Cb 1.96 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 43.62 2ron h LEU 95 CO -0.45 0.84 -0.36 0.00 -1.08 0.00 0.00 178.44 177.38 2ron h ALA 96 N 0.47 -1.01 -0.12 1.53 0.00 0.16 -1.34 119.26 118.96 2ron h ALA 96 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 2ron h ALA 96 Cb 0.80 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2ron h ALA 96 CO 0.04 -0.97 -0.36 0.37 0.00 0.00 0.00 179.25 178.33 2ron h GLN 97 N -1.21 -0.43 -0.77 0.00 4.15 -0.48 -0.53 115.11 115.83 2ron h GLN 97 Ca -0.10 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.48 2ron h GLN 97 Cb 0.79 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.48 2ron h GLN 97 CO 0.17 -0.29 0.33 -0.22 -1.93 0.00 0.00 178.83 176.90 2ron h LYS 98 N -0.44 0.48 -0.27 1.69 3.64 -1.44 0.17 116.57 120.39 2ron h LYS 98 Ca 0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2ron h LYS 98 Cb 0.58 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2ron h LYS 98 CO -0.37 0.32 0.08 1.25 -2.27 0.00 0.00 179.45 178.46 2ron h LEU 99 N 0.49 0.34 0.23 5.20 5.85 -0.11 0.25 115.31 127.56 2ron h LEU 99 Ca 0.42 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 2ron h LEU 99 Cb 0.61 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2ron h LEU 99 CO -0.38 0.34 -0.11 -0.08 -0.34 0.00 0.00 178.44 177.86 2ron h GLU 100 N 0.38 -0.30 -0.39 1.25 4.57 0.78 -0.58 114.58 120.29 2ron h GLU 100 Ca 0.09 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2ron h GLU 100 Cb 0.12 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2ron h GLU 100 CO -0.01 0.06 0.22 0.07 -1.18 0.00 0.00 179.01 178.18 2ron h ARG 101 N -0.91 0.54 -0.07 1.92 0.11 -1.02 0.25 114.38 115.20 2ron h ARG 101 Ca -0.03 -0.06 -0.07 0.00 0.10 0.00 0.00 59.98 59.92 2ron h ARG 101 Cb 0.50 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2ron h ARG 101 CO 0.05 0.43 -0.28 1.05 0.10 0.00 0.00 179.97 181.32 2ron h GLU 102 N 0.51 0.13 0.16 0.08 -0.00 -0.60 -3.02 114.58 111.83 2ron h GLU 102 Ca 0.14 -0.04 -0.30 0.00 -0.00 0.00 0.00 59.36 59.16 2ron h GLU 102 Cb 0.04 -0.01 0.03 0.00 -0.00 0.00 0.00 28.75 28.80 2ron h GLU 102 CO -0.02 0.40 -1.30 0.78 -0.00 0.00 0.00 179.01 178.87 2ron h GLY 103 N 0.95 0.60 -5.73 1.06 0.00 -0.57 -3.47 103.07 95.92 2ron h GLY 103 Ca 0.02 -1.36 0.15 0.00 0.00 0.00 0.00 47.33 46.14 2ron h GLY 103 CO 0.04 1.19 0.31 -1.50 0.00 0.00 0.00 176.54 176.58 2ron s ILE 104 N -2.83 -0.28 -0.00 2.60 1.10 0.83 -4.78 121.20 117.84 2ron s ILE 104 Ca -0.08 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.83 2ron s ILE 104 Cb 0.06 -1.00 -0.14 0.00 0.15 0.00 0.00 42.46 41.52 2ron s ILE 104 CO 0.93 0.00 1.03 0.15 -2.11 0.00 0.00 174.94 174.94 2ron h PHE 105 N 6.83 -0.56 -0.95 3.50 3.57 -1.77 -3.38 116.94 124.19 2ron h PHE 105 Ca -0.21 -0.01 -0.33 0.00 3.53 0.00 0.00 57.97 60.95 2ron h PHE 105 Cb 1.15 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 2ron h PHE 105 CO 0.16 -0.25 0.84 -1.25 -2.23 0.00 0.00 178.31 175.59 2ron s PRO 106 N -4.28 2.57 0.53 6.41 0.04 -1.26 -4.95 135.00 134.06 2ron s PRO 106 Ca -0.13 -0.12 0.09 0.00 0.04 0.00 0.00 61.00 60.88 2ron s PRO 106 Cb 0.01 -4.94 0.06 0.00 0.04 0.00 0.00 34.50 29.67 2ron s PRO 106 CO 0.43 -3.26 0.67 1.14 0.04 0.00 0.00 177.00 176.03 2ron s GLN 107 N 7.02 2.42 0.00 4.56 0.00 -1.26 -4.85 119.66 127.55 2ron s GLN 107 Ca 0.70 -1.60 0.00 0.00 -0.00 0.00 0.00 55.36 54.46 2ron s GLN 107 Cb -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 33.01 30.34 2ron s GLN 107 CO 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 175.29 174.65 2ron n ALA 108 N -2.06 1.71 -2.72 2.60 0.00 -1.26 -4.92 120.51 113.85 2ron n ALA 108 Ca 0.11 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 2ron n ALA 108 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.35 5.32 -0.08 0.00 -7.23 -1.26 -2.68 120.40 114.13 2ron s VAL 109 Ca 0.00 0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 60.62 2ron s VAL 109 Cb 0.00 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.39 2ron s VAL 109 CO 0.00 0.43 0.16 -0.63 -0.31 0.00 0.00 175.10 174.75 2ron s ILE 110 N 0.21 -0.13 -0.05 -0.62 1.09 -0.67 -1.12 121.20 119.91 2ron s ILE 110 Ca 0.15 0.24 0.05 0.00 -1.10 0.00 0.00 60.65 60.00 2ron s ILE 110 Cb -0.13 -0.27 -0.01 0.00 -1.06 0.00 0.00 42.46 40.99 2ron s ILE 110 CO 0.04 0.10 -0.22 -0.51 -0.10 0.00 0.00 174.94 174.25 2ron s ILE 111 N 1.60 1.80 0.01 2.92 -1.16 -1.25 -2.89 121.20 122.23 2ron s ILE 111 Ca -0.05 -0.93 0.04 0.00 -0.51 0.00 0.00 60.65 59.20 2ron s ILE 111 Cb -0.12 -1.53 -0.03 0.00 0.61 0.00 0.00 42.46 41.39 2ron s ILE 111 CO -0.06 0.51 -0.07 -0.55 -2.81 0.00 0.00 174.94 171.95 2ron s SER 112 N -0.10 4.59 0.15 4.50 0.15 -1.11 -3.54 113.70 118.33 2ron s SER 112 Ca -0.03 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.47 2ron s SER 112 Cb -0.13 -1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 2ron s SER 112 CO 0.03 0.28 0.00 0.00 1.20 0.00 0.00 173.24 174.75 2ron s ALA 113 N -1.00 1.14 -0.83 5.45 0.00 -1.26 -2.99 121.76 122.26 2ron s ALA 113 Ca 0.17 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 2ron s ALA 113 Cb -0.11 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2ron s ALA 113 CO 0.08 -0.35 0.71 -0.89 0.00 0.00 0.00 175.76 175.31 2ron n ILE 114 N -0.16 -5.63 -2.66 0.00 5.41 -1.26 -4.78 119.36 110.28 2ron n ILE 114 Ca -0.08 -0.66 -0.43 0.00 1.00 0.00 0.00 62.75 62.59 2ron n ILE 114 Cb 0.63 -4.93 -0.02 0.00 -0.71 0.00 0.00 39.64 34.61 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 -4.55 3.90 0.94 0.38 1.11 -1.26 -4.66 119.66 115.52 2ron s GLN 115 Ca 0.16 0.79 -0.12 0.00 0.01 0.00 0.00 55.36 56.20 2ron s GLN 115 Cb -0.02 -3.81 0.15 0.00 -1.01 0.00 0.00 33.01 28.32 2ron s GLN 115 CO 0.54 -1.08 1.09 -1.25 0.01 0.00 0.00 175.29 174.61 2ron s PRO 116 N 3.89 0.93 0.16 2.91 0.04 -1.26 -2.06 135.00 139.60 2ron s PRO 116 Ca 0.45 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.10 2ron s PRO 116 Cb -0.10 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2ron s PRO 116 CO 0.22 -2.44 1.49 -1.00 0.04 0.00 0.00 177.00 175.31 2ron h PRO 117 N -1.69 0.87 -6.67 0.56 0.13 -1.95 -3.41 132.00 119.85 2ron h PRO 117 Ca -0.51 -0.46 -0.56 0.00 -0.87 0.00 0.00 66.00 63.59 2ron h PRO 117 Cb 1.30 0.02 0.18 0.00 0.13 0.00 0.00 31.00 32.63 2ron h PRO 117 CO 0.56 1.11 -0.33 -2.39 -0.23 0.00 0.00 178.00 176.71 2ron n HIS 118 N -4.05 -0.59 -3.98 1.56 1.44 -1.26 -4.81 115.22 103.53 2ron n HIS 118 Ca -0.02 0.37 -0.09 0.00 -2.01 0.00 0.00 57.72 55.97 2ron n HIS 118 Cb 0.55 -1.94 -0.11 0.00 0.12 0.00 0.00 29.99 28.60 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 -1.86 0.11 -0.18 0.61 1.01 -1.25 -4.49 121.20 115.15 2ron s ILE 119 Ca 0.67 -0.92 -0.28 0.00 0.00 0.00 0.00 60.65 60.11 2ron s ILE 119 Cb -0.36 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 2ron s ILE 119 CO 0.56 -0.51 2.09 -1.58 0.00 0.00 0.00 174.94 175.51 2ron s GLN 120 N -1.53 3.38 -0.12 2.79 2.00 -1.26 -4.60 119.66 120.32 2ron s GLN 120 Ca -0.15 2.05 -0.31 0.00 -2.00 0.00 0.00 55.36 54.95 2ron s GLN 120 Cb -0.09 -4.30 -0.09 0.00 0.80 0.00 0.00 33.01 29.34 2ron s GLN 120 CO -0.01 -1.82 2.06 -2.13 -0.50 0.00 0.00 175.29 172.89 2ron n ARG 121 N 8.43 2.24 -3.87 1.67 0.63 -1.26 -4.89 116.66 119.61 2ron n ARG 121 Ca 0.27 0.75 -0.04 0.00 -0.92 0.00 0.00 57.85 57.90 2ron n ARG 121 Cb 0.44 -2.96 0.02 0.00 0.45 0.00 0.00 32.46 30.42 2ron n ARG 121 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2ron s LYS 122 N 5.20 1.48 0.43 -0.14 -2.85 -1.26 -5.05 119.74 117.55 2ron s LYS 122 Ca 0.96 -0.95 -0.23 0.00 -1.00 0.00 0.00 55.97 54.74 2ron s LYS 122 Cb -0.50 0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 35.60 2ron s LYS 122 CO 0.43 -0.69 1.11 0.21 0.10 0.00 0.00 175.35 176.50 2ron s LYS 123 N -2.18 3.94 -0.18 1.78 2.47 -1.26 -4.89 119.74 119.41 2ron s LYS 123 Ca 0.21 1.64 -0.15 0.00 -1.56 0.00 0.00 55.97 56.10 2ron s LYS 123 Cb -0.03 -2.45 0.05 0.00 -1.46 0.00 0.00 37.83 33.94 2ron s LYS 123 CO 0.06 -0.37 0.47 0.14 0.16 0.00 0.00 175.35 175.81 2ron s VAL 124 N -1.62 -0.00 -0.27 4.02 -7.23 -1.26 -5.04 120.40 109.00 2ron s VAL 124 Ca 0.61 0.01 0.12 0.00 -1.81 0.00 0.00 61.98 60.91 2ron s VAL 124 Cb -0.25 -0.66 0.59 0.00 0.56 0.00 0.00 36.38 36.62 2ron s VAL 124 CO 0.31 0.01 1.58 -0.24 -0.31 0.00 0.00 175.10 176.44 2ron n SER 125 N 3.07 3.70 0.00 4.85 2.88 -1.26 -4.70 113.62 122.16 2ron n SER 125 Ca -0.15 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.04 2ron n SER 125 Cb 0.57 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2ron n SER 125 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2ron n HIS 126 N -0.65 0.00 -4.19 0.66 -0.00 -1.26 -5.01 115.22 104.76 2ron n HIS 126 Ca 0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.94 2ron n HIS 126 Cb 1.13 -0.40 -0.10 0.00 -0.00 0.00 0.00 29.99 30.62 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 -3.39 2.51 0.00 0.27 1.43 -1.26 -5.02 118.68 113.21 2ron s LEU 127 Ca 0.00 -1.01 0.15 0.00 -1.03 0.00 0.00 54.13 52.23 2ron s LEU 127 Cb 0.00 -0.14 0.67 0.00 0.03 0.00 0.00 46.19 46.75 2ron s LEU 127 CO 0.00 -0.44 1.44 -0.81 0.23 0.00 0.00 176.35 176.77 2ron n PRO 128 N -0.08 0.09 -0.00 1.29 -0.04 -1.26 -2.44 135.00 132.55 2ron n PRO 128 Ca -0.12 0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.59 2ron n PRO 128 Cb 0.61 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2ron n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ron n ASP 129 N -1.41 2.95 -0.24 3.54 8.00 -1.26 -4.61 116.55 123.52 2ron n ASP 129 Ca 0.05 -0.09 0.04 0.00 0.71 0.00 0.00 54.79 55.50 2ron n ASP 129 Cb 0.15 1.29 0.16 0.00 -0.02 0.00 0.00 41.12 42.70 2ron n ASP 129 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2ron h ASP 130 N 0.00 0.22 -0.37 -2.24 3.58 -1.88 -1.18 116.42 114.55 2ron h ASP 130 Ca 0.00 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 2ron h ASP 130 Cb 0.31 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2ron h ASP 130 CO 0.00 0.09 0.07 -0.61 -2.88 0.00 0.00 179.24 175.91 2ron h GLN 131 N 0.40 0.60 -0.14 0.28 4.15 -1.82 0.28 115.11 118.86 2ron h GLN 131 Ca 0.38 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.70 2ron h GLN 131 Cb 0.57 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 2ron h GLN 131 CO -0.40 0.66 -0.25 0.35 -1.93 0.00 0.00 178.83 177.26 2ron h PHE 132 N 0.45 -0.68 -0.04 3.99 3.57 -1.51 -1.74 116.94 120.98 2ron h PHE 132 Ca 0.11 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 2ron h PHE 132 Cb 0.34 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2ron h PHE 132 CO 0.02 -0.33 -0.64 1.37 -2.23 0.00 0.00 178.31 176.50 2ron h LEU 133 N -0.31 0.17 -1.19 0.59 8.10 -1.29 -1.46 115.31 119.93 2ron h LEU 133 Ca 0.10 -0.10 0.15 0.00 0.11 0.00 0.00 57.88 58.14 2ron h LEU 133 Cb 0.47 -0.05 -0.08 0.00 -0.44 0.00 0.00 40.66 40.56 2ron h LEU 133 CO -0.32 0.76 0.60 -0.78 -4.11 0.00 0.00 178.44 174.59 2ron h ASP 134 N 0.10 0.73 0.41 0.17 3.58 0.41 -1.32 116.42 120.50 2ron h ASP 134 Ca -0.01 0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 2ron h ASP 134 Cb 1.15 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 2ron h ASP 134 CO 0.09 0.35 -1.73 0.00 -2.88 0.00 0.00 179.24 175.08 2ron n HIS 135 N -4.61 0.55 0.26 0.28 1.44 -0.82 -3.92 115.22 108.40 2ron n HIS 135 Ca 0.19 0.18 0.12 0.00 -2.01 0.00 0.00 57.72 56.20 2ron n HIS 135 Cb 0.48 -0.93 0.71 0.00 0.12 0.00 0.00 29.99 30.38 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 0.60 -6.97 0.61 -0.00 -0.23 -3.46 117.51 108.05 2ron h ILE 136 Ca -0.20 -0.53 -0.58 0.00 -0.00 0.00 0.00 64.86 63.56 2ron h ILE 136 Cb 1.55 1.34 -0.14 0.00 -0.00 0.00 0.00 36.82 39.56 2ron h ILE 136 CO 0.03 0.12 -0.92 2.30 -0.00 0.00 0.00 178.15 179.67 2ron n ILE 137 N -3.68 -1.38 0.00 2.19 -5.35 -0.60 -4.81 119.36 105.73 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 0.24 -1.27 0.00 0.00 -1.74 0.00 0.00 39.64 36.86 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 -4.51 0.00 -3.98 6.28 7.27 -1.26 -4.42 117.38 116.76 2ron n GLN 138 Ca -0.25 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.54 2ron n GLN 138 Cb 0.62 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.26 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ron n LEU 139 N -2.19 -2.27 0.00 1.69 7.99 -1.26 -3.06 117.00 117.90 2ron n LEU 139 Ca 0.00 -0.94 0.00 0.00 -0.01 0.00 0.00 56.01 55.06 2ron n LEU 139 Cb 0.00 -2.31 0.00 0.00 -0.11 0.00 0.00 43.42 41.00 2ron n LEU 139 CO 0.00 0.40 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 2ron n GLY 140 N -1.74 4.26 0.00 -0.72 0.00 -1.26 -4.74 105.19 100.99 2ron n GLY 140 Ca -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2ron n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 141 N 0.00 0.64 2.75 -0.02 0.00 -1.17 -5.08 105.19 102.31 2ron n GLY 141 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2ron n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ron s MET 142 N 0.00 1.31 -0.87 1.61 -1.94 -1.26 -5.05 119.30 113.10 2ron s MET 142 Ca 0.00 -1.97 -0.25 0.00 -1.71 0.00 0.00 55.69 51.76 2ron s MET 142 Cb 0.00 -2.45 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 2ron s MET 142 CO 0.00 -1.13 1.94 -1.25 -0.01 0.00 0.00 175.02 174.57 2ron s PRO 143 N 0.44 2.57 -0.29 2.03 0.04 -1.26 -4.74 135.00 133.79 2ron s PRO 143 Ca 0.16 -0.19 -0.16 0.00 0.04 0.00 0.00 61.00 60.85 2ron s PRO 143 Cb -0.24 -4.99 0.15 0.00 0.04 0.00 0.00 34.50 29.47 2ron s PRO 143 CO -0.03 -3.30 0.99 0.00 0.04 0.00 0.00 177.00 174.71 2ron s ALA 144 N 9.96 -2.33 0.00 8.56 0.00 -1.26 -5.04 121.76 131.65 2ron s ALA 144 Ca 0.70 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.84 2ron s ALA 144 Cb -0.07 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2ron s ALA 144 CO 0.02 -0.39 0.20 0.39 0.00 0.00 0.00 175.76 175.97 2ron n GLU 145 N 3.76 -0.26 0.00 0.00 -0.58 -1.26 -4.76 120.64 117.54 2ron n GLU 145 Ca -0.18 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 2ron n GLU 145 Cb 0.57 -0.67 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2ron n LEU 146 N -0.01 0.84 0.00 -4.62 -0.00 -1.26 -4.71 117.00 107.25 2ron n LEU 146 Ca 0.00 -0.84 0.11 0.00 -0.00 0.00 0.00 56.01 55.28 2ron n LEU 146 Cb 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.50 2ron n LEU 146 CO 0.00 0.21 -0.28 1.33 -0.00 0.00 0.00 177.39 178.65 2ron n VAL 147 N -0.18 0.04 -0.14 1.47 0.24 -1.26 -4.29 118.33 114.20 2ron n VAL 147 Ca 0.00 -0.22 0.27 0.00 -2.04 0.00 0.00 64.34 62.35 2ron n VAL 147 Cb 0.31 0.48 0.72 0.00 -1.47 0.00 0.00 33.84 33.88 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 0.00 7.34 4.11 -1.89 0.10 114.58 124.24 2ron h GLU 148 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ron h GLU 148 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ron h GLU 148 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.37 2ron n ASN 149 N -4.25 0.00 0.33 3.06 5.15 -1.26 -1.50 115.26 116.78 2ron n ASN 149 Ca 0.17 0.74 0.22 0.00 -0.60 0.00 0.00 54.58 55.11 2ron n ASN 149 Cb 0.90 -0.24 1.17 0.00 -0.53 0.00 0.00 39.78 41.08 2ron n ASN 149 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 2ron h LYS 150 N 0.00 0.00 -0.14 1.20 2.10 -1.81 -2.15 116.57 115.77 2ron h LYS 150 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2ron h LYS 150 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2ron h LYS 150 CO 0.00 0.00 0.01 0.93 -2.00 0.00 0.00 179.45 178.39 2ron h GLU 151 N 0.00 0.23 0.00 0.07 5.08 -0.68 0.28 114.58 119.56 2ron h GLU 151 Ca -0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2ron h GLU 151 Cb 0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2ron h GLU 151 CO 0.00 0.45 -0.08 -0.39 -1.00 0.00 0.00 179.01 177.99 2ron h VAL 152 N -0.01 0.17 -0.00 3.13 -1.51 -0.64 0.45 116.25 117.84 2ron h VAL 152 Ca 0.04 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2ron h VAL 152 Cb 0.34 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2ron h VAL 152 CO 0.01 0.08 -0.57 0.23 -1.23 0.00 0.00 177.57 176.09 2ron n MET 153 N -3.16 0.31 0.00 5.19 2.81 -0.97 -4.16 117.12 117.15 2ron n MET 153 Ca 0.02 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 2ron n MET 153 Cb 0.45 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 2ron n MET 153 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2ron n SER 154 N -1.15 0.00 -0.18 7.83 7.64 0.97 -4.48 113.62 124.24 2ron n SER 154 Ca 0.07 0.00 0.30 0.00 1.01 0.00 0.00 58.87 60.25 2ron n SER 154 Cb 0.35 0.00 0.71 0.00 -1.01 0.00 0.00 64.21 64.27 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 155 N 0.00 0.00 -4.86 1.43 -1.00 -0.38 -3.43 116.94 108.70 2ron h PHE 155 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 2ron h PHE 155 Cb 0.00 0.00 0.05 0.00 3.61 0.00 0.00 35.95 39.61 2ron h PHE 155 CO 0.00 0.00 -0.22 0.34 -1.61 0.00 0.00 178.31 176.82 2ron n PHE 156 N -3.97 -2.19 -1.01 -0.55 -0.00 0.75 -4.23 117.46 106.25 2ron n PHE 156 Ca 0.19 0.81 -0.35 0.00 -0.00 0.00 0.00 57.45 58.11 2ron n PHE 156 Cb 1.07 -3.61 0.09 0.00 -0.00 0.00 0.00 39.48 37.03 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 -2.00 -0.77 -2.21 -2.13 -0.00 -1.25 -4.63 117.00 104.01 2ron n LEU 157 Ca -0.02 0.42 -0.05 0.00 -0.00 0.00 0.00 56.01 56.36 2ron n LEU 157 Cb 0.53 -1.13 -0.08 0.00 -0.00 0.00 0.00 43.42 42.74 2ron n LEU 157 CO 0.43 -3.82 0.99 -0.81 -0.00 0.00 0.00 177.39 174.18 2ron n PRO 158 N -0.64 0.93 -3.42 1.47 -0.04 -1.26 -4.50 135.00 127.54 2ron n PRO 158 Ca 0.07 -0.44 -0.24 0.00 -0.04 0.00 0.00 63.50 62.85 2ron n PRO 158 Cb 0.52 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 2ron n PRO 158 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ron s SER 159 N 2.46 2.22 0.03 3.54 0.01 -1.26 -4.91 113.70 115.79 2ron s SER 159 Ca 0.30 -1.82 -0.27 0.00 1.31 0.00 0.00 55.95 55.47 2ron s SER 159 Cb 0.14 0.03 -0.15 0.00 0.21 0.00 0.00 66.02 66.26 2ron s SER 159 CO 0.00 -0.30 1.23 -0.26 0.41 0.00 0.00 173.24 174.32 2ron h PHE 160 N 7.19 -0.91 -1.32 2.43 -1.00 -1.98 -2.82 116.94 118.53 2ron h PHE 160 Ca 0.03 -0.02 0.42 0.00 2.81 0.00 0.00 57.97 61.21 2ron h PHE 160 Cb 1.01 0.30 -0.12 0.00 3.61 0.00 0.00 35.95 40.75 2ron h PHE 160 CO 0.38 -0.56 0.87 0.07 -1.61 0.00 0.00 178.31 177.45 2ron h ARG 161 N -1.12 0.11 0.00 1.51 -0.00 -1.95 0.38 114.38 113.30 2ron h ARG 161 Ca -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.87 2ron h ARG 161 Cb 0.75 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.69 2ron h ARG 161 CO 0.16 0.07 0.00 0.45 -0.00 0.00 0.00 179.97 180.66 2ron n SER 162 N -4.61 0.00 -0.01 0.08 2.88 -1.11 -1.69 113.62 109.15 2ron n SER 162 Ca 0.36 0.71 -0.09 0.00 -1.33 0.00 0.00 58.87 58.52 2ron n SER 162 Cb 1.40 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 64.52 2ron n SER 162 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2ron h ASP 163 N 0.00 -0.54 0.00 -3.46 1.82 -1.15 0.28 116.42 113.37 2ron h ASP 163 Ca 0.00 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 2ron h ASP 163 Cb 0.00 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2ron h ASP 163 CO 0.00 -0.22 0.00 -1.22 -1.61 0.00 0.00 179.24 176.19 2ron n TYR 164 N -5.32 0.00 -0.31 0.28 4.02 0.13 -0.05 117.16 115.91 2ron n TYR 164 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.92 2ron n TYR 164 Cb 0.23 -0.47 0.21 0.00 -0.02 0.00 0.00 39.34 39.30 2ron n TYR 164 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2ron h ARG 165 N 0.00 0.74 0.00 -0.72 1.12 -1.26 0.63 114.38 114.89 2ron h ARG 165 Ca 0.00 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.83 2ron h ARG 165 Cb 0.00 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 29.79 2ron h ARG 165 CO 0.00 0.49 -0.00 0.00 -3.11 0.00 0.00 179.97 177.35 2ron h ALA 166 N 1.52 1.14 -0.93 2.80 0.00 0.40 0.14 119.26 124.33 2ron h ALA 166 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2ron h ALA 166 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ron h ALA 166 CO -0.30 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.23 2ron n LEU 167 N -3.29 0.00 -0.09 0.00 7.99 0.93 -4.63 117.00 117.91 2ron n LEU 167 Ca -0.03 0.00 0.26 0.00 -0.01 0.00 0.00 56.01 56.23 2ron n LEU 167 Cb 0.08 -0.24 0.72 0.00 -0.11 0.00 0.00 43.42 43.86 2ron n LEU 167 CO 0.22 -0.35 1.23 -0.33 -1.51 0.00 0.00 177.39 176.66 2ron h GLU 168 N 0.00 0.00 -2.38 3.23 4.39 -0.06 -3.45 114.58 116.31 2ron h GLU 168 Ca 0.00 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 2ron h GLU 168 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2ron h GLU 168 CO 0.00 0.00 -0.47 1.04 -1.16 0.00 0.00 179.01 178.42 2ron n GLN 169 N -4.12 -1.64 0.00 2.33 6.02 0.48 -4.78 117.38 115.67 2ron n GLN 169 Ca 0.15 1.05 0.00 0.00 -0.01 0.00 0.00 57.00 58.18 2ron n GLN 169 Cb 0.85 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.50 2ron n GLN 169 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2ron n PHE 170 N -3.39 0.00 -0.70 1.08 3.72 -1.26 -5.06 117.46 111.85 2ron n PHE 170 Ca -0.23 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.85 2ron n PHE 170 Cb 0.67 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.38 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 -2.35 -1.41 -3.99 -1.08 -0.58 -1.26 -5.04 120.64 104.92 2ron n GLU 171 Ca 0.00 -0.39 -0.12 0.00 -0.42 0.00 0.00 57.16 56.22 2ron n GLU 171 Cb 0.42 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 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 -0.82 0.62 0.56 -4.62 1.43 -1.26 -4.83 118.68 109.76 2ron s LEU 172 Ca 0.55 -1.32 0.28 0.00 -1.03 0.00 0.00 54.13 52.61 2ron s LEU 172 Cb -0.12 1.94 1.47 0.00 0.03 0.00 0.00 46.19 49.51 2ron s LEU 172 CO 0.66 -1.41 1.96 0.22 0.23 0.00 0.00 176.35 178.02 2ron h TYR 173 N 2.09 0.00 -3.17 0.29 3.20 -1.96 -3.35 116.97 114.07 2ron h TYR 173 Ca -0.29 0.00 -0.67 0.00 3.14 0.00 0.00 58.73 60.91 2ron h TYR 173 Cb 1.24 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 39.34 2ron h TYR 173 CO 1.34 0.00 0.16 -0.51 -1.64 0.00 0.00 178.16 177.51 2ron s ASP 174 N -5.75 6.23 0.00 -2.11 1.01 -1.26 -4.81 116.67 109.98 2ron s ASP 174 Ca -0.05 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.31 2ron s ASP 174 Cb 0.18 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.79 2ron s ASP 174 CO 0.66 -1.00 0.86 0.00 0.21 0.00 0.00 175.17 175.90 2ron n LEU 175 N 6.46 1.48 -4.80 1.23 -0.00 -1.26 -5.07 117.00 115.05 2ron n LEU 175 Ca -0.06 -1.48 -0.30 0.00 -0.00 0.00 0.00 56.01 54.17 2ron n LEU 175 Cb 0.45 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.97 2ron n LEU 175 CO 0.56 0.37 0.71 0.00 -0.00 0.00 0.00 177.39 179.03 2ron s ALA 176 N -0.73 2.21 -1.04 1.47 0.00 -1.26 -4.29 121.76 118.12 2ron s ALA 176 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 2ron s ALA 176 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2ron s ALA 176 CO 0.00 -1.76 0.90 1.04 0.00 0.00 0.00 175.76 175.95 2ron n GLN 177 N -3.46 -3.09 -3.72 0.00 6.02 -1.11 -4.97 117.38 107.05 2ron n GLN 177 Ca 0.07 0.83 -0.16 0.00 -0.01 0.00 0.00 57.00 57.73 2ron n GLN 177 Cb 0.56 -5.69 -0.16 0.00 1.02 0.00 0.00 30.24 25.97 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 -3.37 -0.11 -0.29 5.09 -1.09 -1.26 -5.05 121.20 115.12 2ron s ILE 178 Ca 0.34 0.28 -0.16 0.00 -2.23 0.00 0.00 60.65 58.89 2ron s ILE 178 Cb -0.04 -0.18 0.14 0.00 -1.58 0.00 0.00 42.46 40.79 2ron s ILE 178 CO 0.71 0.12 0.92 0.00 -1.23 0.00 0.00 174.94 175.46 2ron s GLN 179 N 1.57 0.42 0.01 2.79 -2.07 -1.26 -2.74 119.66 118.38 2ron s GLN 179 Ca -0.04 0.77 0.00 0.00 -1.82 0.00 0.00 55.36 54.27 2ron s GLN 179 Cb -0.12 0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.94 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 3.98 -0.06 -3.17 12.60 7.64 -1.26 -4.77 113.62 128.57 2ron n SER 180 Ca -0.18 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2ron n SER 180 Cb 0.57 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 -2.84 0.30 -4.02 1.43 -0.04 -1.26 -3.67 135.00 124.90 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 -0.34 1.61 0.01 0.52 1.01 -1.09 -1.09 120.40 121.03 2ron s VAL 182 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2ron s VAL 182 Cb 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2ron s VAL 182 CO 0.00 0.45 -0.16 -1.00 0.00 0.00 0.00 175.10 174.39 2ron s HIS 183 N 1.47 1.42 -0.03 5.22 3.76 -0.76 -1.66 115.29 124.71 2ron s HIS 183 Ca 0.05 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2ron s HIS 183 Cb -0.13 -0.88 0.03 0.00 1.11 0.00 0.00 32.58 32.71 2ron s HIS 183 CO -0.11 0.02 0.02 0.08 -0.85 0.00 0.00 174.74 173.90 2ron s VAL 184 N -0.59 0.05 -0.05 -0.90 1.01 -1.14 -3.64 120.40 115.14 2ron s VAL 184 Ca 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 2ron s VAL 184 Cb -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 2ron s VAL 184 CO 0.00 0.12 0.08 -0.36 0.00 0.00 0.00 175.10 174.95 2ron s PHE 185 N 1.12 3.34 0.13 5.22 0.40 -0.96 -2.76 117.98 124.47 2ron s PHE 185 Ca -0.09 0.28 -0.17 0.00 -0.60 0.00 0.00 56.93 56.36 2ron s PHE 185 Cb -0.13 -1.80 0.04 0.00 0.51 0.00 0.00 43.02 41.64 2ron s PHE 185 CO -0.02 0.58 0.43 1.21 0.70 0.00 0.00 175.22 178.12 2ron s ASN 186 N -1.37 -0.29 0.59 1.36 3.84 -1.16 -1.18 114.94 116.72 2ron s ASN 186 Ca 0.19 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 53.00 2ron s ASN 186 Cb -0.12 0.49 0.00 0.00 -0.55 0.00 0.00 41.25 41.07 2ron s ASN 186 CO 0.09 -0.86 0.00 0.61 -2.79 0.00 0.00 177.10 174.15 2ron n GLY 187 N -0.22 0.68 4.17 1.21 0.00 -0.57 -3.99 105.19 106.47 2ron n GLY 187 Ca -0.16 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.94 -0.27 0.99 -0.00 -0.88 -3.37 117.00 112.54 2ron n LEU 188 Ca 0.00 -0.94 0.13 0.00 -0.00 0.00 0.00 56.01 55.20 2ron n LEU 188 Cb 0.00 -1.65 0.39 0.00 -0.00 0.00 0.00 43.42 42.16 2ron n LEU 188 CO 0.00 0.13 1.22 -2.24 -0.00 0.00 0.00 177.39 176.49 2ron h ASP 189 N -0.89 0.63 0.00 1.45 3.04 -1.90 -3.01 116.42 115.73 2ron h ASP 189 Ca -0.51 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 2ron h ASP 189 Cb 1.34 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 2ron h ASP 189 CO 0.75 0.30 0.00 0.47 -2.04 0.00 0.00 179.24 178.72 2ron n ASP 190 N -4.57 0.00 -4.33 4.15 9.92 -1.26 -0.13 116.55 120.32 2ron n ASP 190 Ca 0.18 0.86 -0.27 0.00 -0.53 0.00 0.00 54.79 55.03 2ron n ASP 190 Cb 0.51 -0.36 -0.13 0.00 -0.64 0.00 0.00 41.12 40.50 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2ron s LYS 191 N -2.44 1.36 0.00 -1.24 2.20 -1.14 -2.80 119.74 115.68 2ron s LYS 191 Ca 0.00 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 2ron s LYS 191 Cb 0.00 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.63 2ron s LYS 191 CO 0.00 0.41 0.00 0.36 -0.36 0.00 0.00 175.35 175.76 2ron n LYS 192 N 1.20 2.36 -0.05 4.03 2.85 -1.26 -4.70 118.16 122.59 2ron n LYS 192 Ca -0.18 0.00 0.24 0.00 -1.05 0.00 0.00 58.31 57.31 2ron n LYS 192 Cb 0.53 -0.91 0.72 0.00 -0.65 0.00 0.00 35.03 34.72 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ron h ILE 194 N 0.00 1.28 0.02 0.00 -0.00 -1.99 -1.17 117.51 115.65 2ron h ILE 194 Ca 0.31 -1.35 -0.16 0.00 -0.00 0.00 0.00 64.86 63.65 2ron h ILE 194 Cb 1.32 1.48 0.01 0.00 -0.00 0.00 0.00 36.82 39.64 2ron h ILE 194 CO -0.00 0.42 -0.64 -0.09 -0.00 0.00 0.00 178.15 177.84 2ron h ARG 195 N 0.33 0.39 -0.35 2.19 9.65 -0.78 -1.66 114.38 124.15 2ron h ARG 195 Ca 0.04 -0.45 -0.06 0.00 -1.10 0.00 0.00 59.98 58.41 2ron h ARG 195 Cb 0.72 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 2ron h ARG 195 CO 0.06 1.13 -0.02 0.22 2.80 0.00 0.00 179.97 184.15 2ron h ASP 196 N -0.15 0.53 0.24 -3.80 3.58 -1.36 0.46 116.42 115.92 2ron h ASP 196 Ca -0.09 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 2ron h ASP 196 Cb 1.37 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2ron h ASP 196 CO 0.12 0.61 -0.12 0.00 -2.88 0.00 0.00 179.24 176.98 2ron h ALA 197 N 1.45 -0.32 0.00 -0.78 0.00 -1.27 -2.03 119.26 116.32 2ron h ALA 197 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ron h ALA 197 Cb 0.38 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ron h ALA 197 CO 0.01 -0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.35 2ron n GLU 198 N -4.99 0.11 0.02 0.00 4.71 -0.63 -0.95 120.64 118.91 2ron n GLU 198 Ca -0.04 0.40 -0.22 0.00 -0.01 0.00 0.00 57.16 57.29 2ron n GLU 198 Cb 0.14 -1.73 -0.14 0.00 -1.01 0.00 0.00 31.44 28.70 2ron n GLU 198 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2ron h GLY 199 N 1.82 0.33 1.64 0.62 0.00 -0.12 -3.38 103.07 103.98 2ron h GLY 199 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 2ron h GLY 199 CO 0.00 0.75 -0.83 -0.25 0.00 0.00 0.00 176.54 176.20 2ron h TRP 200 N -0.04 0.00 -0.79 5.60 2.91 -1.15 -3.26 115.95 119.22 2ron h TRP 200 Ca -0.37 0.00 0.22 0.00 1.13 0.00 0.00 58.89 59.87 2ron h TRP 200 Cb 1.97 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 30.59 2ron h TRP 200 CO 0.10 0.53 0.56 1.57 -1.03 0.00 0.00 178.44 180.17 2ron h LYS 201 N 0.00 0.04 0.00 2.65 5.09 -1.21 0.27 116.57 123.41 2ron h LYS 201 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.68 2ron h LYS 201 Cb 1.46 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.78 2ron h LYS 201 CO 0.06 0.03 -1.47 0.36 -2.09 0.00 0.00 179.45 176.33 2ron n LYS 202 N -4.32 0.45 -1.93 0.07 2.85 -1.24 -4.92 118.16 109.12 2ron n LYS 202 Ca 0.16 -0.08 -0.15 0.00 -1.05 0.00 0.00 58.31 57.19 2ron n LYS 202 Cb 0.83 -1.57 -0.04 0.00 -0.65 0.00 0.00 35.03 33.60 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -2.12 -0.78 -3.56 5.58 7.02 0.96 -2.74 117.44 121.81 2ron n TRP 203 Ca -0.01 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.09 2ron n TRP 203 Cb 0.50 -2.96 -0.11 0.00 -2.42 0.00 0.00 31.31 26.32 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 -2.51 3.53 -0.28 6.99 0.00 -1.26 -4.54 121.76 123.70 2ron s ALA 204 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2ron s ALA 204 Cb 0.00 -2.52 0.08 0.00 0.00 0.00 0.00 23.12 20.69 2ron s ALA 204 CO 0.00 -0.57 0.03 -1.59 0.00 0.00 0.00 175.76 173.63 2ron s LYS 205 N 1.80 1.13 1.04 0.00 -2.85 -1.11 -4.93 119.74 114.83 2ron s LYS 205 Ca 0.08 -1.11 -0.16 0.00 -1.00 0.00 0.00 55.97 53.79 2ron s LYS 205 Cb -0.16 -2.41 0.08 0.00 -2.06 0.00 0.00 37.83 33.28 2ron s LYS 205 CO 0.11 -0.81 0.22 -0.25 0.10 0.00 0.00 175.35 174.72 2ron n ASP 206 N 4.71 -2.21 -0.40 0.03 9.92 -1.26 -4.58 116.55 122.77 2ron n ASP 206 Ca -0.05 0.09 0.32 0.00 -0.53 0.00 0.00 54.79 54.62 2ron n ASP 206 Cb 0.43 -1.09 0.61 0.00 -0.64 0.00 0.00 41.12 40.44 2ron n ASP 206 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2ron h ILE 207 N -1.84 0.30 -3.04 0.53 1.08 -1.18 -3.28 117.51 110.08 2ron h ILE 207 Ca -0.49 -0.07 -0.56 0.00 -0.39 0.00 0.00 64.86 63.35 2ron h ILE 207 Cb 1.32 0.09 -0.40 0.00 -3.07 0.00 0.00 36.82 34.76 2ron h ILE 207 CO 0.37 0.03 -0.76 -0.89 -0.69 0.00 0.00 178.15 176.21 2ron s THR 208 N -5.32 0.54 -0.07 -0.27 2.01 -1.22 -5.05 115.64 106.26 2ron s THR 208 Ca -0.08 -1.15 0.05 0.00 0.31 0.00 0.00 61.69 60.83 2ron s THR 208 Cb 0.27 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 2ron s THR 208 CO 0.81 -0.68 -0.23 0.72 -0.69 0.00 0.00 174.62 174.56 2ron s PHE 209 N 1.79 2.51 -0.29 4.92 -0.71 -1.24 -1.83 117.98 123.13 2ron s PHE 209 Ca 0.09 -0.71 0.01 0.00 -1.04 0.00 0.00 56.93 55.28 2ron s PHE 209 Cb -0.17 -1.64 0.18 0.00 -1.21 0.00 0.00 43.02 40.18 2ron s PHE 209 CO -0.29 -0.21 0.55 -1.58 -1.34 0.00 0.00 175.22 172.36 2ron s HIS 210 N -0.10 -1.51 0.26 3.49 2.46 -1.24 -5.05 115.29 113.60 2ron s HIS 210 Ca -0.05 1.33 -0.07 0.00 0.47 0.00 0.00 55.06 56.74 2ron s HIS 210 Cb -0.14 0.37 -0.06 0.00 -0.13 0.00 0.00 32.58 32.62 2ron s HIS 210 CO 0.04 -0.91 0.55 1.14 -2.47 0.00 0.00 174.74 173.08 2ron s GLN 211 N 2.78 3.71 -0.25 2.88 0.00 -1.26 -2.26 119.66 125.26 2ron s GLN 211 Ca 0.16 0.14 -0.02 0.00 -0.00 0.00 0.00 55.36 55.64 2ron s GLN 211 Cb -0.14 -2.65 0.12 0.00 0.00 0.00 0.00 33.01 30.34 2ron s GLN 211 CO -0.22 0.27 0.30 0.12 0.00 0.00 0.00 175.29 175.75 2ron s PHE 212 N -1.94 -0.52 0.02 9.60 5.36 -0.33 -4.94 117.98 125.23 2ron s PHE 212 Ca 0.46 0.22 0.03 0.00 -0.96 0.00 0.00 56.93 56.68 2ron s PHE 212 Cb -0.11 -0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.24 2ron s PHE 212 CO 0.26 -0.77 -0.03 0.16 -1.46 0.00 0.00 175.22 173.37 2ron s ASP 213 N 2.40 4.85 0.00 6.13 -4.77 -1.26 -1.52 116.67 122.51 2ron s ASP 213 Ca 0.09 -0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 2ron s ASP 213 Cb -0.15 -1.18 0.00 0.00 -1.09 0.00 0.00 42.92 40.50 2ron s ASP 213 CO -0.22 0.27 0.00 0.61 0.70 0.00 0.00 175.17 176.53 2ron n GLY 214 N 1.35 0.23 0.00 2.12 0.00 -1.22 -4.72 105.19 102.95 2ron n GLY 214 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N 2.16 0.86 0.38 -0.02 0.00 -0.65 -4.74 105.19 103.18 2ron n GLY 215 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.60 1.61 8.25 0.81 -3.88 115.22 121.40 2ron n HIS 216 Ca 0.00 -0.71 -0.30 0.00 -0.26 0.00 0.00 57.72 56.44 2ron n HIS 216 Cb 0.00 -0.13 0.20 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.80 -1.56 0.09 -0.41 0.00 -1.12 -4.12 117.12 109.20 2ron n MET 217 Ca 0.11 -0.42 0.20 0.00 0.00 0.00 0.00 57.70 57.58 2ron n MET 217 Cb 0.71 -2.07 0.75 0.00 0.00 0.00 0.00 33.22 32.60 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 -2.24 0.00 0.00 1.12 3.57 -1.87 0.25 116.94 117.77 2ron h PHE 218 Ca -0.53 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 60.60 2ron h PHE 218 Cb 1.32 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.99 2ron h PHE 218 CO 0.31 0.00 -2.35 -0.11 -2.23 0.00 0.00 178.31 173.93 2ron n LEU 219 N -3.94 2.69 0.26 0.59 -0.00 -1.26 -4.21 117.00 111.12 2ron n LEU 219 Ca 0.07 -0.02 -0.16 0.00 -0.00 0.00 0.00 56.01 55.90 2ron n LEU 219 Cb 0.55 -0.80 -0.08 0.00 -0.00 0.00 0.00 43.42 43.08 2ron n LEU 219 CO 0.30 0.81 0.68 -0.07 -0.00 0.00 0.00 177.39 179.11 2ron h LEU 220 N -0.22 -0.53 -2.01 -1.96 3.38 -1.74 0.26 115.31 112.49 2ron h LEU 220 Ca -0.55 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.57 2ron h LEU 220 Cb 1.75 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 2ron h LEU 220 CO -0.15 -0.33 0.43 -1.28 0.09 0.00 0.00 178.44 177.19 2ron h SER 221 N -0.68 0.00 0.66 -0.43 0.87 -0.62 0.94 113.55 114.29 2ron h SER 221 Ca -0.06 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.23 2ron h SER 221 Cb 0.51 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2ron h SER 221 CO 0.10 0.00 -1.39 1.56 -0.53 0.00 0.00 176.83 176.57 2ron h GLN 222 N 0.00 0.09 -4.44 2.24 4.20 -1.58 -3.43 115.11 112.19 2ron h GLN 222 Ca 0.26 -0.15 -0.72 0.00 0.06 0.00 0.00 58.65 58.10 2ron h GLN 222 Cb 1.11 0.06 -0.26 0.00 0.30 0.00 0.00 27.48 28.69 2ron h GLN 222 CO -0.00 0.90 -0.44 0.99 -0.67 0.00 0.00 178.83 179.60 2ron s THR 223 N -2.65 4.56 0.34 -0.54 2.01 0.86 -4.93 115.64 115.28 2ron s THR 223 Ca -0.04 -1.21 0.13 0.00 0.31 0.00 0.00 61.69 60.89 2ron s THR 223 Cb 0.08 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 68.95 2ron s THR 223 CO 0.83 -0.47 1.79 -0.33 -0.69 0.00 0.00 174.62 175.75 2ron h GLU 224 N 8.50 0.00 0.19 4.92 5.08 -1.84 -3.13 114.58 128.31 2ron h GLU 224 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2ron h GLU 224 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2ron h GLU 224 CO 0.77 0.41 -0.22 1.49 -1.00 0.00 0.00 179.01 180.47 2ron h GLU 225 N 0.00 -0.40 -0.87 2.33 4.81 -1.92 -1.80 114.58 116.74 2ron h GLU 225 Ca -0.00 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.42 2ron h GLU 225 Cb 0.75 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 30.12 2ron h GLU 225 CO 0.05 -0.27 0.43 -0.39 -0.73 0.00 0.00 179.01 178.11 2ron h VAL 226 N -0.42 0.65 -0.32 0.32 -1.51 -1.91 -1.30 116.25 111.78 2ron h VAL 226 Ca -0.02 -0.19 0.07 0.00 -1.23 0.00 0.00 66.70 65.32 2ron h VAL 226 Cb 0.37 0.04 -0.08 0.00 -2.13 0.00 0.00 31.29 29.49 2ron h VAL 226 CO -0.04 0.10 -0.21 0.00 -1.23 0.00 0.00 177.57 176.20 2ron h ALA 227 N 1.60 -0.00 -0.72 5.19 0.00 -1.42 -1.04 119.26 122.87 2ron h ALA 227 Ca 0.49 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 2ron h ALA 227 Cb 0.78 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2ron h ALA 227 CO -0.41 -0.61 0.27 1.49 0.00 0.00 0.00 179.25 179.99 2ron h GLU 228 N -0.17 1.07 0.22 0.00 4.81 -0.40 -2.13 114.58 117.98 2ron h GLU 228 Ca 0.16 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2ron h GLU 228 Cb 0.43 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2ron h GLU 228 CO -0.42 0.89 -0.43 0.00 -0.73 0.00 0.00 179.01 178.32 2ron h ARG 229 N 1.05 -0.70 0.53 1.92 2.47 -0.31 0.19 114.38 119.53 2ron h ARG 229 Ca 0.24 0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 2ron h ARG 229 Cb 0.23 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2ron h ARG 229 CO -0.02 -0.47 -0.30 0.82 0.56 0.00 0.00 179.97 180.56 2ron h ILE 230 N -0.73 0.38 -0.96 2.04 5.03 -1.24 -1.57 117.51 120.46 2ron h ILE 230 Ca -0.00 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.99 2ron h ILE 230 Cb 0.71 0.38 -0.06 0.00 -3.03 0.00 0.00 36.82 34.82 2ron h ILE 230 CO -0.19 0.00 0.65 0.15 -0.68 0.00 0.00 178.15 178.08 2ron h PHE 231 N -0.78 0.39 0.55 1.37 3.04 -1.26 0.29 116.94 120.53 2ron h PHE 231 Ca -0.07 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 2ron h PHE 231 Cb 0.62 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 39.02 2ron h PHE 231 CO -0.08 0.07 -0.26 0.00 -2.02 0.00 0.00 178.31 176.02 2ron h ALA 232 N 1.58 -0.74 0.00 2.41 0.00 -0.04 -1.63 119.26 120.84 2ron h ALA 232 Ca 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 2ron h ALA 232 Cb 1.49 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 2ron h ALA 232 CO -0.15 -0.69 -0.01 0.97 0.00 0.00 0.00 179.25 179.37 2ron h ILE 233 N -1.18 0.07 0.04 0.00 6.09 -0.59 0.11 117.51 122.05 2ron h ILE 233 Ca -0.08 -0.10 -0.11 0.00 -1.37 0.00 0.00 64.86 63.20 2ron h ILE 233 Cb 0.58 1.09 0.01 0.00 0.47 0.00 0.00 36.82 38.97 2ron h ILE 233 CO 0.12 0.01 -0.45 -0.07 -3.07 0.00 0.00 178.15 174.69 2ron h LEU 234 N 0.00 0.34 0.00 2.19 -0.00 -0.40 0.33 115.31 117.76 2ron h LEU 234 Ca -0.00 -0.85 0.00 0.00 -0.00 0.00 0.00 57.88 57.03 2ron h LEU 234 Cb 0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2ron h LEU 234 CO 0.00 1.15 -0.08 -0.46 -0.00 0.00 0.00 178.44 179.04 2ron n ASN 235 N -4.35 0.35 -0.20 -0.43 6.94 -0.62 -3.28 115.26 113.67 2ron n ASN 235 Ca -0.11 0.44 0.05 0.00 -0.02 0.00 0.00 54.58 54.93 2ron n ASN 235 Cb 0.63 -0.49 -0.00 0.00 -2.36 0.00 0.00 39.78 37.55 2ron n ASN 235 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ron n GLN 236 N -1.78 2.22 0.05 -3.83 6.02 0.33 -4.62 117.38 115.77 2ron n GLN 236 Ca 0.06 -0.55 -0.14 0.00 -0.01 0.00 0.00 57.00 56.35 2ron n GLN 236 Cb 0.37 -1.05 -0.08 0.00 1.02 0.00 0.00 30.24 30.50 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 0.99 -1.37 0.00 1.08 -0.00 -0.31 -0.83 115.15 114.70 2ron h HIS 237 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2ron h HIS 237 Cb 0.31 0.60 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 2ron h HIS 237 CO 0.00 -0.54 0.00 -1.00 -0.00 0.00 0.00 177.93 176.39 2ron h PRO 238 N -0.62 0.00 -6.33 5.26 0.13 -1.83 -3.44 132.00 125.17 2ron h PRO 238 Ca 0.03 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.61 2ron h PRO 238 Cb 0.69 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 2ron h PRO 238 CO -0.34 0.00 -0.07 0.42 -0.23 0.00 0.00 178.00 177.78 2ron s ILE 239 N -3.51 4.83 0.36 -3.56 1.01 -0.32 -5.07 121.20 114.94 2ron s ILE 239 Ca 0.02 0.90 -0.25 0.00 0.00 0.00 0.00 60.65 61.32 2ron s ILE 239 Cb 0.09 -3.76 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 2ron s ILE 239 CO 0.46 0.28 0.98 0.27 0.00 0.00 0.00 174.94 176.93 2ron s ILE 240 N -1.43 4.07 -0.47 2.92 -4.36 -1.26 -4.90 121.20 115.77 2ron s ILE 240 Ca 0.37 1.64 0.03 0.00 -0.26 0.00 0.00 60.65 62.43 2ron s ILE 240 Cb -0.16 -3.87 0.13 0.00 1.25 0.00 0.00 42.46 39.81 2ron s ILE 240 CO 0.19 0.06 0.22 -1.10 0.24 0.00 0.00 174.94 174.55 2ron s GLN 241 N -2.29 1.73 0.00 0.37 -1.52 -1.26 -5.12 119.66 111.57 2ron s GLN 241 Ca 0.53 -2.35 0.16 0.00 -1.95 0.00 0.00 55.36 51.75 2ron s GLN 241 Cb -0.19 -3.05 0.94 0.00 -0.22 0.00 0.00 33.01 30.48 2ron s GLN 241 CO 0.24 -1.10 1.35 -0.35 -0.25 0.00 0.00 175.29 175.18