#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 1.98 -4.01 6.12 2.88 -0.89 -3.90 113.62 115.80 2ron n SER 2 Ca 0.00 -0.26 -0.30 0.00 -1.33 0.00 0.00 58.87 56.98 2ron n SER 2 Cb 0.00 -1.43 0.21 0.00 -0.75 0.00 0.00 64.21 62.24 2ron n SER 2 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2ron s GLN 3 N 8.14 -0.49 -0.29 -1.46 -1.52 -1.17 -3.73 119.66 119.14 2ron s GLN 3 Ca 1.06 -0.10 -0.18 0.00 -1.95 0.00 0.00 55.36 54.20 2ron s GLN 3 Cb -0.45 -1.68 0.13 0.00 -0.22 0.00 0.00 33.01 30.79 2ron s GLN 3 CO 0.33 -3.22 0.93 -0.48 -0.25 0.00 0.00 175.29 172.60 2ron s LEU 4 N -6.58 -0.58 -0.22 2.90 2.34 -1.26 -1.75 118.68 113.53 2ron s LEU 4 Ca 0.71 0.95 -0.14 0.00 0.06 0.00 0.00 54.13 55.71 2ron s LEU 4 Cb -0.09 1.89 -0.04 0.00 -0.56 0.00 0.00 46.19 47.38 2ron s LEU 4 CO 0.55 -0.15 0.33 0.12 -1.06 0.00 0.00 176.35 176.14 2ron s PHE 5 N 1.19 3.35 0.03 3.48 5.36 -0.76 -4.88 117.98 125.74 2ron s PHE 5 Ca -0.07 0.49 0.05 0.00 -0.96 0.00 0.00 56.93 56.44 2ron s PHE 5 Cb -0.04 -2.45 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 2ron s PHE 5 CO -0.14 -0.00 -0.15 -1.59 -1.46 0.00 0.00 175.22 171.88 2ron s LYS 6 N 1.29 1.03 -0.29 10.12 0.00 -1.26 -0.78 119.74 129.86 2ron s LYS 6 Ca 0.15 -0.73 0.01 0.00 0.00 0.00 0.00 55.97 55.40 2ron s LYS 6 Cb -0.14 -1.05 0.18 0.00 0.00 0.00 0.00 37.83 36.82 2ron s LYS 6 CO 0.07 0.27 0.54 -1.54 0.00 0.00 0.00 175.35 174.68 2ron s SER 7 N -0.98 -0.98 0.51 0.03 1.04 0.03 -4.98 113.70 108.37 2ron s SER 7 Ca 0.03 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2ron s SER 7 Cb -0.07 1.83 0.02 0.00 0.10 0.00 0.00 66.02 67.89 2ron s SER 7 CO 0.01 -0.29 0.74 0.72 0.98 0.00 0.00 173.24 175.40 2ron s PHE 8 N 2.76 3.04 -0.26 5.02 -0.12 -1.26 -0.12 117.98 127.04 2ron s PHE 8 Ca 0.15 0.13 -0.02 0.00 -0.05 0.00 0.00 56.93 57.14 2ron s PHE 8 Cb -0.13 -2.57 0.15 0.00 -0.63 0.00 0.00 43.02 39.85 2ron s PHE 8 CO -0.23 -0.65 0.45 0.34 -0.05 0.00 0.00 175.22 175.08 2ron s ASP 9 N -4.33 -0.31 -1.75 1.98 -1.08 -1.26 -4.89 116.67 105.04 2ron s ASP 9 Ca 0.53 0.40 0.00 0.00 -0.52 0.00 0.00 52.55 52.96 2ron s ASP 9 Cb -0.10 1.47 0.00 0.00 -1.46 0.00 0.00 42.92 42.83 2ron s ASP 9 CO 0.39 -0.29 0.00 0.00 0.52 0.00 0.00 175.17 175.79 2ron n ALA 10 N 5.39 -0.25 -3.77 3.66 0.00 -1.26 -3.15 120.51 121.12 2ron n ALA 10 Ca -0.02 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.33 2ron n ALA 10 Cb 0.50 -1.74 0.04 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.69 -5.08 0.00 0.00 3.41 -1.26 -4.95 113.62 105.06 2ron n SER 11 Ca -0.16 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 2ron n SER 11 Cb 0.55 -2.98 0.00 0.00 -0.26 0.00 0.00 64.21 61.51 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 -4.39 0.00 -3.63 4.33 -0.58 -1.19 -4.84 120.64 110.35 2ron n GLU 12 Ca -0.09 0.43 -0.14 0.00 -0.42 0.00 0.00 57.16 56.94 2ron n GLU 12 Cb 0.58 -0.93 -0.07 0.00 -0.57 0.00 0.00 31.44 30.46 2ron n GLU 12 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2ron s LYS 13 N -0.99 0.82 -0.26 3.49 -2.85 -1.26 -4.65 119.74 114.04 2ron s LYS 13 Ca 0.00 0.99 -0.26 0.00 -1.00 0.00 0.00 55.97 55.70 2ron s LYS 13 Cb 0.00 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2ron s LYS 13 CO 0.00 -0.10 0.91 0.99 0.10 0.00 0.00 175.35 177.25 2ron s THR 14 N 0.41 4.75 -0.60 3.79 2.01 -1.23 -0.56 115.64 124.20 2ron s THR 14 Ca -0.00 1.66 -0.02 0.00 0.31 0.00 0.00 61.69 63.64 2ron s THR 14 Cb -0.05 -4.21 0.15 0.00 0.01 0.00 0.00 72.50 68.40 2ron s THR 14 CO 0.00 -0.18 0.40 -1.10 -0.69 0.00 0.00 174.62 173.06 2ron s GLN 15 N 3.05 2.45 -0.96 4.92 -0.21 -1.11 -0.69 119.66 127.13 2ron s GLN 15 Ca 0.38 -2.51 -0.21 0.00 0.02 0.00 0.00 55.36 53.04 2ron s GLN 15 Cb -0.15 -3.67 0.08 0.00 1.00 0.00 0.00 33.01 30.28 2ron s GLN 15 CO 0.09 -1.16 1.29 -1.17 -2.12 0.00 0.00 175.29 172.22 2ron s LEU 16 N -0.03 4.18 0.52 2.90 0.20 0.73 -2.25 118.68 124.92 2ron s LEU 16 Ca 0.16 -1.64 0.06 0.00 0.69 0.00 0.00 54.13 53.40 2ron s LEU 16 Cb -0.21 -2.49 0.03 0.00 -0.43 0.00 0.00 46.19 43.08 2ron s LEU 16 CO -0.03 -1.33 0.39 0.27 -0.29 0.00 0.00 176.35 175.36 2ron s ILE 17 N 4.00 1.83 -0.30 6.68 -4.36 0.11 -1.55 121.20 127.61 2ron s ILE 17 Ca 0.39 -1.48 -0.05 0.00 -0.26 0.00 0.00 60.65 59.25 2ron s ILE 17 Cb -0.03 -2.31 0.19 0.00 1.25 0.00 0.00 42.46 41.55 2ron s ILE 17 CO -0.08 0.00 0.78 0.00 0.24 0.00 0.00 174.94 175.88 2ron n PHE 19 N 5.43 -1.91 -1.06 0.00 3.72 -1.26 -4.75 117.46 117.63 2ron n PHE 19 Ca -0.02 0.50 -0.30 0.00 -0.05 0.00 0.00 57.45 57.57 2ron n PHE 19 Cb 0.52 -3.52 0.26 0.00 -0.94 0.00 0.00 39.48 35.80 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 -5.96 -1.63 0.07 -1.08 0.04 -1.26 -4.97 135.00 120.20 2ron s PRO 20 Ca 0.43 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.14 2ron s PRO 20 Cb -0.15 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.84 2ron s PRO 20 CO 0.86 -3.96 0.27 -0.59 0.04 0.00 0.00 177.00 173.62 2ron s PHE 21 N -3.01 -0.02 -0.01 0.56 -0.71 -1.26 -5.10 117.98 108.43 2ron s PHE 21 Ca 0.72 -0.25 -0.03 0.00 -1.04 0.00 0.00 56.93 56.34 2ron s PHE 21 Cb -0.07 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 2ron s PHE 21 CO 0.56 -0.53 0.40 0.00 -1.34 0.00 0.00 175.22 174.31 2ron h ALA 22 N 2.99 -0.39 -0.57 1.99 0.00 -1.98 -3.42 119.26 117.88 2ron h ALA 22 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2ron h ALA 22 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ron h ALA 22 CO 0.50 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2ron n GLY 23 N 0.83 3.01 0.00 0.00 0.00 -1.26 -2.33 105.19 105.44 2ron n GLY 23 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 0.29 -0.02 0.00 -1.26 -4.63 105.19 99.57 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 0.28 -0.19 1.61 -0.00 -1.89 -1.10 116.97 115.67 2ron h TYR 25 Ca 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 58.73 58.60 2ron h TYR 25 Cb 0.71 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 37.34 2ron h TYR 25 CO 0.00 0.18 -0.42 1.03 -0.00 0.00 0.00 178.16 178.95 2ron h SER 26 N 0.30 0.70 0.26 0.10 0.87 -1.71 -1.32 113.55 112.75 2ron h SER 26 Ca 0.08 -0.56 -0.08 0.00 -1.23 0.00 0.00 61.79 60.00 2ron h SER 26 Cb -0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2ron h SER 26 CO -0.02 1.13 -0.33 0.00 -0.53 0.00 0.00 176.83 177.08 2ron h ALA 27 N 0.59 1.35 0.08 6.23 0.00 -1.57 0.17 119.26 126.11 2ron h ALA 27 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.33 2ron h ALA 27 Cb 1.02 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2ron h ALA 27 CO 0.09 0.46 -1.13 1.03 0.00 0.00 0.00 179.25 179.70 2ron h SER 28 N 0.09 0.51 1.77 0.00 0.87 -1.17 -3.22 113.55 112.40 2ron h SER 28 Ca 0.01 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2ron h SER 28 Cb 0.63 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2ron h SER 28 CO 0.05 1.33 -0.04 0.15 -0.53 0.00 0.00 176.83 177.79 2ron h PHE 29 N 0.15 0.00 0.24 2.24 3.04 -1.03 -3.26 116.94 118.33 2ron h PHE 29 Ca -0.12 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.84 2ron h PHE 29 Cb 1.82 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.29 2ron h PHE 29 CO 0.07 0.00 -0.44 -0.09 -2.02 0.00 0.00 178.31 175.82 2ron h ARG 30 N 0.00 -0.73 -0.17 1.11 9.65 -0.97 0.30 114.38 123.56 2ron h ARG 30 Ca 0.00 0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.86 2ron h ARG 30 Cb 0.91 0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 2ron h ARG 30 CO 0.00 -0.49 -0.17 -1.00 2.80 0.00 0.00 179.97 181.11 2ron h PRO 31 N -0.76 0.43 0.73 0.20 0.13 -1.72 -1.54 132.00 129.46 2ron h PRO 31 Ca -0.01 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 2ron h PRO 31 Cb 0.74 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2ron h PRO 31 CO -0.18 0.79 -0.49 -0.07 -0.23 0.00 0.00 178.00 177.82 2ron h LEU 32 N 0.08 -1.26 -0.37 1.56 -0.00 -1.58 0.19 115.31 113.94 2ron h LEU 32 Ca 0.03 0.08 0.04 0.00 -0.00 0.00 0.00 57.88 58.02 2ron h LEU 32 Cb 0.71 0.38 -0.04 0.00 -0.00 0.00 0.00 40.66 41.71 2ron h LEU 32 CO 0.04 -0.73 0.14 -0.74 -0.00 0.00 0.00 178.44 177.16 2ron h HIS 33 N -1.15 0.26 0.00 1.13 2.76 -0.50 0.36 115.15 118.01 2ron h HIS 33 Ca -0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2ron h HIS 33 Cb 0.94 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2ron h HIS 33 CO -0.13 0.12 0.00 0.00 -1.30 0.00 0.00 177.93 176.61 2ron n ALA 34 N -2.32 1.35 -0.12 5.26 0.00 -0.58 -0.26 120.51 123.83 2ron n ALA 34 Ca 0.01 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.61 2ron n ALA 34 Cb 0.12 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.19 0.24 0.00 0.00 7.35 0.67 -4.65 117.46 118.88 2ron n PHE 35 Ca 0.00 -0.51 0.00 0.00 -0.76 0.00 0.00 57.45 56.18 2ron n PHE 35 Cb 0.13 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.91 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 -0.02 2.36 -3.84 -2.13 0.00 0.10 -4.99 117.00 108.49 2ron n LEU 36 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.98 2ron n LEU 36 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.79 2ron n LEU 36 CO 0.04 0.39 0.49 0.00 0.00 0.00 0.00 177.39 178.31 2ron s GLN 37 N -1.81 2.22 0.17 1.96 -2.07 0.63 -5.06 119.66 115.70 2ron s GLN 37 Ca 0.00 -1.49 -0.24 0.00 -1.82 0.00 0.00 55.36 51.81 2ron s GLN 37 Cb 0.00 0.61 0.06 0.00 -1.09 0.00 0.00 33.01 32.58 2ron s GLN 37 CO 0.00 -1.03 0.86 0.20 -1.32 0.00 0.00 175.29 174.00 2ron s GLY 38 N -3.10 -0.25 -1.30 2.60 0.00 -1.26 -4.16 107.32 99.84 2ron s GLY 38 Ca 0.17 0.14 -0.05 0.00 0.00 0.00 0.00 44.72 44.98 2ron s GLY 38 CO 0.13 0.03 1.08 -2.21 0.00 0.00 0.00 173.10 172.12 2ron n GLU 39 N -0.43 -7.16 -2.92 2.90 2.13 -1.26 -4.97 120.64 108.92 2ron n GLU 39 Ca -0.07 0.82 -0.33 0.00 0.66 0.00 0.00 57.16 58.24 2ron n GLU 39 Cb 0.61 -5.82 -0.07 0.00 0.27 0.00 0.00 31.44 26.42 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ron s GLU 41 N -3.11 4.14 -0.40 0.00 2.02 0.27 -4.77 118.70 116.85 2ron s GLU 41 Ca 0.59 2.60 -0.18 0.00 0.02 0.00 0.00 54.97 58.01 2ron s GLU 41 Cb -0.09 -3.68 0.01 0.00 0.10 0.00 0.00 34.13 30.47 2ron s GLU 41 CO 0.14 -0.86 0.49 -1.64 0.02 0.00 0.00 175.26 173.41 2ron s MET 42 N 2.99 3.31 -0.16 1.61 -1.94 0.83 -2.74 119.30 123.21 2ron s MET 42 Ca 0.82 -0.50 -0.01 0.00 -1.71 0.00 0.00 55.69 54.29 2ron s MET 42 Cb -0.46 -3.91 0.04 0.00 2.01 0.00 0.00 34.83 32.52 2ron s MET 42 CO 0.37 -0.80 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.40 2ron s LEU 43 N 2.32 1.29 -0.13 -0.03 2.96 -0.96 -0.79 118.68 123.35 2ron s LEU 43 Ca 0.16 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2ron s LEU 43 Cb -0.16 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.82 2ron s LEU 43 CO 0.14 -0.22 -0.16 0.00 -1.32 0.00 0.00 176.35 174.79 2ron s ALA 44 N 1.76 1.88 0.34 5.97 0.00 0.04 0.06 121.76 131.81 2ron s ALA 44 Ca 0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2ron s ALA 44 Cb -0.15 -0.97 -0.11 0.00 0.00 0.00 0.00 23.12 21.89 2ron s ALA 44 CO -0.07 -0.21 1.43 0.00 0.00 0.00 0.00 175.76 176.91 2ron s ALA 45 N 1.19 3.57 0.27 0.00 0.00 0.86 -1.83 121.76 125.81 2ron s ALA 45 Ca -0.01 1.44 0.11 0.00 0.00 0.00 0.00 51.96 53.50 2ron s ALA 45 Cb -0.14 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 2ron s ALA 45 CO -0.06 -0.87 -0.18 -1.21 0.00 0.00 0.00 175.76 173.44 2ron s GLU 46 N -1.67 1.63 0.96 0.00 2.02 -0.72 -4.59 118.70 116.33 2ron s GLU 46 Ca 0.53 -1.75 -0.12 0.00 0.02 0.00 0.00 54.97 53.65 2ron s GLU 46 Cb -0.44 -1.63 0.17 0.00 0.10 0.00 0.00 34.13 32.33 2ron s GLU 46 CO 0.56 0.28 1.09 -1.25 0.02 0.00 0.00 175.26 175.96 2ron s PRO 47 N -3.55 0.75 1.19 0.39 0.04 -1.26 -3.02 135.00 129.54 2ron s PRO 47 Ca 0.29 0.64 -0.19 0.00 0.04 0.00 0.00 61.00 61.78 2ron s PRO 47 Cb -0.03 -1.76 0.28 0.00 0.04 0.00 0.00 34.50 33.02 2ron s PRO 47 CO 0.14 -2.54 1.11 -1.25 0.04 0.00 0.00 177.00 174.49 2ron s PRO 48 N -4.95 -1.13 0.00 0.56 0.04 -1.26 -3.05 135.00 125.21 2ron s PRO 48 Ca 0.65 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2ron s PRO 48 Cb -0.18 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2ron s PRO 48 CO 0.57 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 174.37 2ron n GLY 49 N -0.96 0.00 2.98 0.56 0.00 -1.25 -4.86 105.19 101.67 2ron n GLY 49 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 2ron n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 50 N -1.07 -1.06 0.00 1.61 3.76 -1.26 -5.10 115.29 112.16 2ron s HIS 50 Ca 0.00 1.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 2ron s HIS 50 Cb 0.00 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.87 2ron s HIS 50 CO 0.00 -0.77 0.00 0.41 -0.85 0.00 0.00 174.74 173.53 2ron n GLY 51 N 5.38 -0.00 0.52 -2.22 0.00 -1.26 -4.44 105.19 103.16 2ron n GLY 51 Ca -0.03 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.36 2ron n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ron n THR 52 N 0.15 1.21 -1.26 2.61 -1.04 -1.26 -0.71 114.28 113.98 2ron n THR 52 Ca 0.00 -1.74 0.04 0.00 -2.04 0.00 0.00 64.05 60.31 2ron n THR 52 Cb 0.00 0.13 0.20 0.00 -1.82 0.00 0.00 70.33 68.85 2ron n THR 52 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2ron n ASN 53 N -0.71 2.73 -3.92 8.00 5.15 -1.26 -4.59 115.26 120.65 2ron n ASN 53 Ca 0.11 -3.43 -0.11 0.00 -0.60 0.00 0.00 54.58 50.55 2ron n ASN 53 Cb 0.74 -0.55 -0.13 0.00 -0.53 0.00 0.00 39.78 39.32 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2ron s GLN 54 N -3.05 0.14 -0.27 1.20 -1.52 -1.26 -4.89 119.66 110.01 2ron s GLN 54 Ca 0.40 -0.27 -0.21 0.00 -1.95 0.00 0.00 55.36 53.33 2ron s GLN 54 Cb 0.35 0.04 0.08 0.00 -0.22 0.00 0.00 33.01 33.27 2ron s GLN 54 CO 0.02 -0.02 0.72 0.99 -0.25 0.00 0.00 175.29 176.75 2ron s THR 55 N -0.65 0.00 0.56 -0.19 2.01 -1.26 -0.58 115.64 115.53 2ron s THR 55 Ca -0.07 0.00 0.27 0.00 0.31 0.00 0.00 61.69 62.20 2ron s THR 55 Cb -0.04 -1.00 0.39 0.00 0.01 0.00 0.00 72.50 71.86 2ron s THR 55 CO -0.00 0.00 1.98 0.77 -0.69 0.00 0.00 174.62 176.67 2ron h SER 56 N 5.86 0.00 -3.60 3.53 4.64 -1.93 -3.45 113.55 118.60 2ron h SER 56 Ca -0.29 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.64 2ron h SER 56 Cb 1.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2ron h SER 56 CO 0.10 0.00 -0.55 0.00 -0.87 0.00 0.00 176.83 175.51 2ron n ALA 57 N -2.51 -0.77 -3.59 5.18 0.00 -1.26 -2.92 120.51 114.64 2ron n ALA 57 Ca 0.09 0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 2ron n ALA 57 Cb 0.61 -3.00 0.05 0.00 0.00 0.00 0.00 19.45 17.11 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 -4.26 -6.55 -1.59 0.00 2.08 -1.26 -4.90 119.36 102.89 2ron n ILE 58 Ca -0.17 -1.04 0.06 0.00 0.56 0.00 0.00 62.75 62.17 2ron n ILE 58 Cb 0.64 -4.79 0.11 0.00 -0.75 0.00 0.00 39.64 34.85 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ron n GLU 59 N -3.98 0.90 0.09 0.38 1.02 -1.15 -4.76 120.64 113.14 2ron n GLU 59 Ca -0.09 -2.32 -0.05 0.00 -0.02 0.00 0.00 57.16 54.69 2ron n GLU 59 Cb 0.60 -1.11 0.14 0.00 -0.02 0.00 0.00 31.44 31.04 2ron n GLU 59 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2ron h ASP 60 N 0.36 0.26 0.05 1.62 2.03 -1.91 -2.13 116.42 116.70 2ron h ASP 60 Ca -0.03 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.13 2ron h ASP 60 Cb 1.21 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 2ron h ASP 60 CO 0.01 0.78 -0.14 0.25 -1.03 0.00 0.00 179.24 179.12 2ron h LEU 61 N 0.18 -0.41 -0.67 0.15 6.46 -2.00 0.24 115.31 119.27 2ron h LEU 61 Ca -0.00 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 2ron h LEU 61 Cb 1.06 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 2ron h LEU 61 CO 0.09 -0.15 0.18 -0.08 -0.62 0.00 0.00 178.44 177.86 2ron h GLU 62 N -0.21 1.06 -0.41 1.25 4.81 -1.94 -1.76 114.58 117.37 2ron h GLU 62 Ca -0.00 -0.25 0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2ron h GLU 62 Cb 0.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2ron h GLU 62 CO -0.07 0.94 0.30 1.49 -0.73 0.00 0.00 179.01 180.94 2ron h GLU 63 N 0.99 0.00 0.00 1.92 4.57 -1.19 0.21 114.58 121.08 2ron h GLU 63 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2ron h GLU 63 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2ron h GLU 63 CO -0.00 0.00 -0.14 -0.07 -1.18 0.00 0.00 179.01 177.62 2ron h LEU 64 N 0.00 0.00 -1.98 1.64 3.38 -0.00 -2.13 115.31 116.21 2ron h LEU 64 Ca 0.20 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.37 2ron h LEU 64 Cb 0.80 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 2ron h LEU 64 CO -0.00 0.47 0.55 0.71 0.09 0.00 0.00 178.44 180.26 2ron h THR 65 N -0.81 0.55 0.06 0.22 1.35 -1.21 0.18 112.91 113.26 2ron h THR 65 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.73 2ron h THR 65 Cb 0.14 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 2ron h THR 65 CO 0.00 0.00 -0.63 -0.78 -0.25 0.00 0.00 175.52 173.86 2ron h ASP 66 N 0.00 0.19 0.43 5.36 1.82 -0.72 0.25 116.42 123.75 2ron h ASP 66 Ca 0.34 -0.89 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 2ron h ASP 66 Cb 1.44 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.39 2ron h ASP 66 CO -0.00 1.28 0.00 -0.11 -1.61 0.00 0.00 179.24 178.79 2ron n LEU 67 N -4.34 0.48 -0.09 2.28 7.94 -0.50 0.26 117.00 123.02 2ron n LEU 67 Ca -0.17 0.65 -0.19 0.00 -1.11 0.00 0.00 56.01 55.20 2ron n LEU 67 Cb 0.67 -0.63 -0.07 0.00 0.53 0.00 0.00 43.42 43.92 2ron n LEU 67 CO 0.37 -0.62 -1.12 -1.22 -1.11 0.00 0.00 177.39 173.69 2ron n TYR 68 N -2.07 0.00 -0.58 1.96 4.02 0.52 -4.58 117.16 116.43 2ron n TYR 68 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.84 2ron n TYR 68 Cb 0.15 -0.65 0.23 0.00 -0.02 0.00 0.00 39.34 39.05 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 -3.77 3.06 -0.26 -0.72 4.76 0.87 -4.51 118.16 117.59 2ron n LYS 69 Ca -0.35 -2.38 0.28 0.00 -2.87 0.00 0.00 58.31 52.99 2ron n LYS 69 Cb 0.76 -2.01 0.66 0.00 -1.84 0.00 0.00 35.03 32.60 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 2.00 0.13 0.00 1.97 4.15 -0.33 0.24 115.11 123.26 2ron h GLN 70 Ca 0.23 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.47 2ron h GLN 70 Cb 2.02 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 29.65 2ron h GLN 70 CO 0.60 0.08 -1.72 -1.91 -1.93 0.00 0.00 178.83 173.96 2ron n GLU 71 N -4.35 0.64 -2.61 1.69 4.07 -1.26 -4.96 120.64 113.86 2ron n GLU 71 Ca 0.22 0.08 -0.24 0.00 -0.06 0.00 0.00 57.16 57.17 2ron n GLU 71 Cb 0.99 -1.69 0.11 0.00 -0.06 0.00 0.00 31.44 30.79 2ron n GLU 71 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2ron s LEU 72 N -5.44 2.96 -0.22 4.31 1.43 0.84 -5.11 118.68 117.44 2ron s LEU 72 Ca -0.05 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2ron s LEU 72 Cb 0.09 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.54 2ron s LEU 72 CO 0.83 -1.91 0.10 0.20 0.23 0.00 0.00 176.35 175.81 2ron s ASN 73 N -4.77 2.85 0.33 2.29 0.02 -1.26 -4.89 114.94 109.52 2ron s ASN 73 Ca 0.67 -0.90 -0.05 0.00 -1.02 0.00 0.00 52.86 51.56 2ron s ASN 73 Cb -0.05 -0.30 0.01 0.00 0.02 0.00 0.00 41.25 40.93 2ron s ASN 73 CO 0.45 -0.39 0.51 -0.76 0.02 0.00 0.00 177.10 176.93 2ron s LEU 74 N 2.11 0.81 0.26 0.60 1.43 -1.26 -5.18 118.68 117.45 2ron s LEU 74 Ca 0.05 -1.37 0.06 0.00 -1.03 0.00 0.00 54.13 51.83 2ron s LEU 74 Cb -0.16 1.65 -0.03 0.00 0.03 0.00 0.00 46.19 47.67 2ron s LEU 74 CO -0.20 -1.32 0.31 -0.13 0.23 0.00 0.00 176.35 175.24 2ron s ARG 75 N -3.11 3.19 0.00 1.70 0.52 -1.26 -5.11 118.95 114.88 2ron s ARG 75 Ca 0.28 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 2ron s ARG 75 Cb -0.01 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.72 2ron s ARG 75 CO 0.18 0.37 0.00 -0.35 0.02 0.00 0.00 175.30 175.52 2ron n PRO 76 N -1.34 -0.57 -3.19 3.54 -0.04 -1.26 -5.01 135.00 127.13 2ron n PRO 76 Ca -0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.00 2ron n PRO 76 Cb 0.58 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 2ron n PRO 76 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ron s ASP 77 N -1.51 7.06 -0.01 3.54 -4.77 -1.26 -5.00 116.67 114.71 2ron s ASP 77 Ca 0.00 1.26 -0.25 0.00 -3.30 0.00 0.00 52.55 50.26 2ron s ASP 77 Cb 0.00 -2.38 -0.18 0.00 -1.09 0.00 0.00 42.92 39.27 2ron s ASP 77 CO 0.00 0.16 1.21 0.03 0.70 0.00 0.00 175.17 177.28 2ron h ARG 78 N 5.17 -0.18 -7.32 2.11 3.08 -1.91 -3.46 114.38 111.88 2ron h ARG 78 Ca -0.47 0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.08 2ron h ARG 78 Cb 1.21 0.04 0.13 0.00 0.08 0.00 0.00 29.97 31.43 2ron h ARG 78 CO 0.67 0.22 0.31 -1.25 -1.07 0.00 0.00 179.97 178.85 2ron s PRO 79 N -4.36 2.18 -0.29 0.04 0.04 -1.26 -4.46 135.00 126.88 2ron s PRO 79 Ca -0.15 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.89 2ron s PRO 79 Cb 0.02 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 32.81 2ron s PRO 79 CO 0.59 -1.69 0.89 0.12 0.04 0.00 0.00 177.00 176.95 2ron s PHE 80 N -2.91 -0.82 -0.09 0.56 5.36 -0.69 -3.58 117.98 115.82 2ron s PHE 80 Ca 0.61 1.50 0.03 0.00 -0.96 0.00 0.00 56.93 58.10 2ron s PHE 80 Cb -0.17 0.49 0.01 0.00 -0.34 0.00 0.00 43.02 43.01 2ron s PHE 80 CO 0.56 -0.41 -0.16 0.14 -1.46 0.00 0.00 175.22 173.89 2ron s VAL 81 N 2.15 1.50 -0.23 3.12 -7.23 0.14 -3.78 120.40 116.07 2ron s VAL 81 Ca -0.06 -0.67 -0.00 0.00 -1.81 0.00 0.00 61.98 59.44 2ron s VAL 81 Cb -0.06 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.56 2ron s VAL 81 CO -0.17 0.44 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.72 2ron s LEU 82 N 0.69 2.87 -0.49 1.32 0.20 -1.22 -0.19 118.68 121.86 2ron s LEU 82 Ca -0.13 -0.86 -0.11 0.00 0.69 0.00 0.00 54.13 53.72 2ron s LEU 82 Cb -0.16 -1.59 0.12 0.00 -0.43 0.00 0.00 46.19 44.13 2ron s LEU 82 CO 0.03 -0.09 0.38 -0.36 -0.29 0.00 0.00 176.35 176.03 2ron s PHE 83 N 1.28 3.39 0.00 5.38 0.08 -0.60 -4.51 117.98 123.01 2ron s PHE 83 Ca 0.01 -1.75 0.00 0.00 0.12 0.00 0.00 56.93 55.30 2ron s PHE 83 Cb -0.16 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 2ron s PHE 83 CO -0.07 -1.00 0.00 0.41 -0.10 0.00 0.00 175.22 174.46 2ron n GLY 84 N 4.97 1.56 3.34 4.36 0.00 -1.26 -2.42 105.19 115.73 2ron n GLY 84 Ca -0.09 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 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 2.11 1.75 -1.90 1.61 -3.43 -1.26 -4.83 115.29 109.33 2ron s HIS 85 Ca 0.00 -1.58 0.32 0.00 -0.80 0.00 0.00 55.06 52.99 2ron s HIS 85 Cb 0.00 -0.81 1.81 0.00 -1.43 0.00 0.00 32.58 32.14 2ron s HIS 85 CO 0.00 -0.74 2.18 0.43 -2.00 0.00 0.00 174.74 174.61 2ron n SER 86 N -1.48 0.05 0.01 7.38 7.64 -1.26 -4.05 113.62 121.91 2ron n SER 86 Ca 0.04 -0.85 -0.01 0.00 1.01 0.00 0.00 58.87 59.07 2ron n SER 86 Cb 0.63 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 0.07 -0.05 0.00 1.43 2.86 -2.03 -3.51 114.93 113.71 2ron h MET 87 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ron h MET 87 Cb 0.07 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2ron h MET 87 CO 0.00 -0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.35 2ron n GLY 88 N 1.02 2.68 0.00 8.32 0.00 -1.26 -5.12 105.19 110.84 2ron n GLY 88 Ca -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.49 -1.90 0.15 -0.02 0.00 -1.26 -4.89 105.19 95.78 2ron n GLY 89 Ca 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.27 -0.02 1.61 4.05 -1.98 -2.36 114.93 115.96 2ron h MET 90 Ca 0.00 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2ron h MET 90 Cb 0.00 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2ron h MET 90 CO 0.00 0.10 0.01 0.82 0.23 0.00 0.00 176.91 178.07 2ron h ILE 91 N -0.71 1.00 0.10 1.77 2.04 -1.97 0.23 117.51 119.98 2ron h ILE 91 Ca -0.03 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2ron h ILE 91 Cb 0.49 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2ron h ILE 91 CO 0.05 0.00 -0.49 0.74 0.00 0.00 0.00 178.15 178.45 2ron h THR 92 N 0.03 0.06 -0.37 -0.27 2.02 -1.97 -0.93 112.91 111.48 2ron h THR 92 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2ron h THR 92 Cb -0.00 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 2ron h THR 92 CO -0.00 0.00 0.23 0.15 0.37 0.00 0.00 175.52 176.27 2ron h PHE 93 N -0.71 0.49 -1.02 3.16 3.04 -1.37 -2.00 116.94 118.54 2ron h PHE 93 Ca 0.01 0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.21 2ron h PHE 93 Cb 0.73 -0.16 -0.10 0.00 2.56 0.00 0.00 35.95 38.98 2ron h PHE 93 CO -0.43 0.35 0.64 -0.09 -2.02 0.00 0.00 178.31 176.75 2ron h ARG 94 N 0.49 0.48 -0.01 1.11 2.43 -0.10 0.33 114.38 119.11 2ron h ARG 94 Ca 0.13 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 59.02 2ron h ARG 94 Cb -0.00 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2ron h ARG 94 CO -0.03 0.32 -0.99 -0.07 -1.51 0.00 0.00 179.97 177.69 2ron h LEU 95 N 0.49 0.79 0.33 3.80 3.38 -0.64 -2.14 115.31 121.33 2ron h LEU 95 Ca 0.59 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2ron h LEU 95 Cb 1.33 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2ron h LEU 95 CO -0.34 1.43 -0.16 0.00 0.09 0.00 0.00 178.44 179.46 2ron h ALA 96 N 0.53 -0.44 -0.53 1.53 0.00 -0.05 -1.88 119.26 118.42 2ron h ALA 96 Ca -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2ron h ALA 96 Cb 1.64 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 2ron h ALA 96 CO 0.19 -0.59 0.26 0.37 0.00 0.00 0.00 179.25 179.48 2ron h GLN 97 N -0.75 0.73 0.48 0.00 5.75 -0.60 0.53 115.11 121.24 2ron h GLN 97 Ca -0.05 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2ron h GLN 97 Cb 0.50 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.91 2ron h GLN 97 CO 0.07 0.56 -0.23 -0.22 -2.65 0.00 0.00 178.83 176.36 2ron h LYS 98 N 0.74 -0.62 0.00 1.69 3.11 -1.33 -2.47 116.57 117.68 2ron h LYS 98 Ca 0.19 0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 58.07 2ron h LYS 98 Cb 0.06 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2ron h LYS 98 CO -0.03 -0.41 -0.00 1.25 -2.81 0.00 0.00 179.45 177.45 2ron h LEU 99 N -0.70 0.00 0.00 5.20 5.85 -1.31 -1.07 115.31 123.28 2ron h LEU 99 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2ron h LEU 99 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2ron h LEU 99 CO 0.11 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.42 2ron n GLU 100 N -3.97 0.00 -0.03 1.25 2.13 0.17 -0.81 120.64 119.39 2ron n GLU 100 Ca -0.03 0.25 0.10 0.00 0.66 0.00 0.00 57.16 58.15 2ron n GLU 100 Cb 0.08 -1.23 0.51 0.00 0.27 0.00 0.00 31.44 31.07 2ron n GLU 100 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 2ron h ARG 101 N 0.00 0.37 0.00 5.31 -0.00 -1.44 0.54 114.38 119.16 2ron h ARG 101 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.91 2ron h ARG 101 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 29.88 2ron h ARG 101 CO 0.00 0.24 -0.21 0.93 -0.00 0.00 0.00 179.97 180.93 2ron h GLU 102 N 0.38 0.00 0.15 0.08 4.39 -1.20 -2.98 114.58 115.41 2ron h GLU 102 Ca 0.22 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.59 2ron h GLU 102 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2ron h GLU 102 CO -0.06 0.21 -1.65 0.78 -1.16 0.00 0.00 179.01 177.13 2ron h GLY 103 N 0.94 0.37 -5.62 -3.84 0.00 0.12 -3.48 103.07 91.57 2ron h GLY 103 Ca -0.00 -0.95 0.16 0.00 0.00 0.00 0.00 47.33 46.54 2ron h GLY 103 CO 0.03 0.83 0.27 -1.50 0.00 0.00 0.00 176.54 176.17 2ron s ILE 104 N -2.60 -0.38 -0.01 2.60 1.10 -0.74 -4.99 121.20 116.18 2ron s ILE 104 Ca -0.13 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 59.79 2ron s ILE 104 Cb 0.06 -1.00 -0.14 0.00 0.15 0.00 0.00 42.46 41.53 2ron s ILE 104 CO 0.85 0.00 0.98 0.15 -2.11 0.00 0.00 174.94 174.81 2ron h PHE 105 N 7.13 -0.52 -0.79 3.50 3.57 -1.83 -3.40 116.94 124.61 2ron h PHE 105 Ca -0.19 -0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.00 2ron h PHE 105 Cb 1.13 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 2ron h PHE 105 CO 0.18 -0.20 0.77 -1.25 -2.23 0.00 0.00 178.31 175.57 2ron s PRO 106 N -4.10 2.56 0.34 6.41 0.04 -1.26 -4.95 135.00 134.03 2ron s PRO 106 Ca -0.12 -0.24 0.07 0.00 0.04 0.00 0.00 61.00 60.75 2ron s PRO 106 Cb 0.01 -5.02 -0.02 0.00 0.04 0.00 0.00 34.50 29.51 2ron s PRO 106 CO 0.42 -3.34 0.36 -0.65 0.04 0.00 0.00 177.00 173.83 2ron s GLN 107 N 7.01 2.85 0.00 4.56 -0.21 -1.26 -4.87 119.66 127.74 2ron s GLN 107 Ca 0.70 -1.21 0.00 0.00 0.02 0.00 0.00 55.36 54.87 2ron s GLN 107 Cb -0.07 -2.59 0.00 0.00 1.00 0.00 0.00 33.01 31.35 2ron s GLN 107 CO 0.00 0.07 0.00 0.00 -2.12 0.00 0.00 175.29 173.25 2ron n ALA 108 N -1.47 0.00 -2.81 6.09 0.00 -1.26 -4.95 120.51 116.11 2ron n ALA 108 Ca -0.01 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 2ron n ALA 108 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 2ron n ALA 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ron s VAL 109 N -0.49 5.19 -0.13 0.00 -7.23 -1.26 -2.85 120.40 113.63 2ron s VAL 109 Ca 0.00 0.10 -0.06 0.00 -1.81 0.00 0.00 61.98 60.21 2ron s VAL 109 Cb 0.00 -3.28 0.06 0.00 0.56 0.00 0.00 36.38 33.71 2ron s VAL 109 CO 0.00 0.56 0.29 -0.63 -0.31 0.00 0.00 175.10 175.01 2ron s ILE 110 N -0.50 -0.18 -0.04 -0.62 1.01 -0.84 -1.70 121.20 118.33 2ron s ILE 110 Ca 0.11 0.17 0.07 0.00 0.00 0.00 0.00 60.65 61.01 2ron s ILE 110 Cb -0.12 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 2ron s ILE 110 CO 0.02 0.07 -0.25 -0.51 0.00 0.00 0.00 174.94 174.28 2ron s ILE 111 N 1.69 2.14 0.26 2.92 -1.16 -1.25 -3.00 121.20 122.80 2ron s ILE 111 Ca -0.06 -1.06 0.11 0.00 -0.51 0.00 0.00 60.65 59.13 2ron s ILE 111 Cb -0.11 -1.76 -0.05 0.00 0.61 0.00 0.00 42.46 41.16 2ron s ILE 111 CO -0.10 0.58 -0.15 -0.55 -2.81 0.00 0.00 174.94 171.91 2ron s SER 112 N -0.43 3.86 0.36 4.50 0.15 -0.91 -3.46 113.70 117.77 2ron s SER 112 Ca 0.04 -0.88 -0.07 0.00 0.70 0.00 0.00 55.95 55.74 2ron s SER 112 Cb -0.12 -0.46 0.02 0.00 -1.71 0.00 0.00 66.02 63.76 2ron s SER 112 CO 0.01 0.04 0.59 0.00 1.20 0.00 0.00 173.24 175.08 2ron s ALA 113 N -2.31 0.21 -1.11 5.45 0.00 -1.26 -3.78 121.76 118.96 2ron s ALA 113 Ca 0.29 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2ron s ALA 113 Cb -0.06 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 2ron s ALA 113 CO 0.16 -0.86 0.87 -0.89 0.00 0.00 0.00 175.76 175.03 2ron n ILE 114 N -0.55 -7.60 -3.18 0.00 5.41 -1.26 -4.58 119.36 107.60 2ron n ILE 114 Ca -0.02 -1.11 -0.44 0.00 1.00 0.00 0.00 62.75 62.18 2ron n ILE 114 Cb 0.61 -5.55 -0.06 0.00 -0.71 0.00 0.00 39.64 33.92 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -5.06 3.11 0.97 0.38 -0.21 -1.26 -4.42 119.66 113.16 2ron s GLN 115 Ca 0.39 -0.95 -0.12 0.00 0.02 0.00 0.00 55.36 54.70 2ron s GLN 115 Cb -0.08 -4.10 0.17 0.00 1.00 0.00 0.00 33.01 30.00 2ron s GLN 115 CO 0.78 -1.20 1.09 -1.25 -2.12 0.00 0.00 175.29 172.60 2ron s PRO 116 N 2.51 0.67 0.26 2.91 0.04 -1.26 -2.16 135.00 137.97 2ron s PRO 116 Ca 0.14 0.61 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2ron s PRO 116 Cb -0.20 -1.76 0.35 0.00 0.04 0.00 0.00 34.50 32.94 2ron s PRO 116 CO 0.11 -2.59 1.64 -1.00 0.04 0.00 0.00 177.00 175.20 2ron h PRO 117 N -1.80 0.31 -6.90 0.56 0.13 -1.95 -3.41 132.00 118.94 2ron h PRO 117 Ca -0.53 -0.16 -0.53 0.00 -0.87 0.00 0.00 66.00 63.91 2ron h PRO 117 Cb 1.32 0.01 0.08 0.00 0.13 0.00 0.00 31.00 32.53 2ron h PRO 117 CO 0.57 0.71 0.67 -3.38 -0.23 0.00 0.00 178.00 176.34 2ron s HIS 118 N -4.08 2.91 0.18 1.56 -3.43 -1.26 -4.88 115.29 106.29 2ron s HIS 118 Ca -0.05 1.35 -0.08 0.00 -0.80 0.00 0.00 55.06 55.48 2ron s HIS 118 Cb 0.13 -3.77 -0.01 0.00 -1.43 0.00 0.00 32.58 27.49 2ron s HIS 118 CO 0.79 -2.17 0.27 0.96 -2.00 0.00 0.00 174.74 172.60 2ron s ILE 119 N -1.14 0.05 -0.23 -5.38 -0.00 -1.26 -4.69 121.20 108.54 2ron s ILE 119 Ca 0.50 -1.52 -0.29 0.00 -0.00 0.00 0.00 60.65 59.34 2ron s ILE 119 Cb -0.41 -2.01 -0.02 0.00 -0.00 0.00 0.00 42.46 40.02 2ron s ILE 119 CO 0.55 -0.23 1.58 -1.58 -0.00 0.00 0.00 174.94 175.27 2ron s GLN 120 N -4.01 3.80 -0.08 0.37 2.00 -1.26 -4.77 119.66 115.71 2ron s GLN 120 Ca 0.22 1.61 -0.34 0.00 -2.00 0.00 0.00 55.36 54.84 2ron s GLN 120 Cb 0.04 -4.02 -0.12 0.00 0.80 0.00 0.00 33.01 29.71 2ron s GLN 120 CO 0.03 -1.29 1.88 -2.13 -0.50 0.00 0.00 175.29 173.29 2ron n ARG 121 N 7.64 2.20 -3.93 1.67 0.63 -1.26 -4.95 116.66 118.66 2ron n ARG 121 Ca 0.18 0.81 -0.10 0.00 -0.92 0.00 0.00 57.85 57.82 2ron n ARG 121 Cb 0.45 -2.65 -0.06 0.00 0.45 0.00 0.00 32.46 30.65 2ron n ARG 121 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2ron s LYS 122 N 4.04 1.24 0.18 -0.14 1.02 -1.26 -5.10 119.74 119.72 2ron s LYS 122 Ca 0.92 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 2ron s LYS 122 Cb -0.68 0.41 -0.09 0.00 -0.52 0.00 0.00 37.83 36.95 2ron s LYS 122 CO 0.51 -0.48 1.36 0.15 -0.92 0.00 0.00 175.35 175.97 2ron s LYS 123 N -3.96 4.35 -0.04 1.68 -0.14 -1.26 -4.74 119.74 115.63 2ron s LYS 123 Ca 0.17 2.10 -0.09 0.00 -1.36 0.00 0.00 55.97 56.79 2ron s LYS 123 Cb 0.02 -3.20 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 2ron s LYS 123 CO 0.01 -0.34 0.20 0.08 -0.76 0.00 0.00 175.35 174.53 2ron s VAL 124 N 0.44 0.04 -0.33 3.17 1.01 -1.26 -5.04 120.40 118.44 2ron s VAL 124 Ca 0.60 -0.35 0.15 0.00 0.00 0.00 0.00 61.98 62.38 2ron s VAL 124 Cb -0.37 -0.40 -0.21 0.00 0.00 0.00 0.00 36.38 35.39 2ron s VAL 124 CO 0.36 -0.19 0.48 -1.20 0.00 0.00 0.00 175.10 174.55 2ron n SER 125 N 2.10 1.10 0.00 3.32 7.64 -1.26 -4.69 113.62 121.84 2ron n SER 125 Ca -0.18 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2ron n SER 125 Cb 0.57 1.40 0.00 0.00 -1.01 0.00 0.00 64.21 65.16 2ron n SER 125 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2ron n HIS 126 N -1.74 0.00 -4.74 1.43 -0.00 -1.26 -4.65 115.22 104.25 2ron n HIS 126 Ca -0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.38 2ron n HIS 126 Cb 0.33 -0.40 -0.13 0.00 -0.00 0.00 0.00 29.99 29.80 2ron n HIS 126 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2ron s LEU 127 N -4.20 2.92 0.00 0.27 2.96 -1.26 -5.00 118.68 114.37 2ron s LEU 127 Ca 0.00 -0.15 0.14 0.00 -0.22 0.00 0.00 54.13 53.90 2ron s LEU 127 Cb 0.00 -1.63 0.66 0.00 0.50 0.00 0.00 46.19 45.72 2ron s LEU 127 CO 0.00 0.31 1.44 -0.81 -1.32 0.00 0.00 176.35 175.97 2ron n PRO 128 N 2.56 0.08 -0.04 0.98 -0.04 -1.26 -1.97 135.00 135.31 2ron n PRO 128 Ca -0.18 0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2ron n PRO 128 Cb 0.53 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 2ron n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ron n ASP 129 N -1.42 1.95 -0.30 3.54 8.00 -1.26 -4.66 116.55 122.39 2ron n ASP 129 Ca 0.05 -1.56 0.06 0.00 0.71 0.00 0.00 54.79 54.05 2ron n ASP 129 Cb 0.15 -0.05 0.22 0.00 -0.02 0.00 0.00 41.12 41.41 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 1.27 0.62 -0.31 -2.24 1.82 -1.77 0.38 116.42 116.19 2ron h ASP 130 Ca 0.00 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 2ron h ASP 130 Cb 0.42 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 2ron h ASP 130 CO 0.00 0.29 0.02 0.06 -1.61 0.00 0.00 179.24 178.00 2ron h GLN 131 N 0.71 0.64 0.37 0.28 3.07 -1.83 0.18 115.11 118.53 2ron h GLN 131 Ca 0.45 -0.15 -0.02 0.00 0.09 0.00 0.00 58.65 59.03 2ron h GLN 131 Cb 0.58 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2ron h GLN 131 CO -0.32 0.65 -0.18 0.74 0.09 0.00 0.00 178.83 179.81 2ron h PHE 132 N 0.61 -0.46 -0.13 0.06 -1.00 -1.28 -2.07 116.94 112.68 2ron h PHE 132 Ca 0.13 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.82 2ron h PHE 132 Cb 0.36 0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 2ron h PHE 132 CO 0.02 -0.14 -0.25 1.37 -1.61 0.00 0.00 178.31 177.69 2ron h LEU 133 N -0.79 0.22 -1.25 1.54 8.10 -1.23 0.26 115.31 122.15 2ron h LEU 133 Ca -0.05 -0.06 -0.06 0.00 0.11 0.00 0.00 57.88 57.82 2ron h LEU 133 Cb 0.52 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.67 2ron h LEU 133 CO 0.08 0.48 -0.12 0.44 -4.11 0.00 0.00 178.44 175.21 2ron h ASP 134 N 0.20 0.34 0.32 0.17 5.19 -0.58 -1.31 116.42 120.76 2ron h ASP 134 Ca 0.03 -0.08 -0.32 0.00 -0.62 0.00 0.00 57.03 56.04 2ron h ASP 134 Cb 0.56 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 2ron h ASP 134 CO 0.04 0.50 -1.87 1.57 -3.12 0.00 0.00 179.24 176.36 2ron n HIS 135 N -4.24 0.98 0.24 4.55 -0.00 -0.78 -4.03 115.22 111.94 2ron n HIS 135 Ca 0.00 0.30 0.11 0.00 -0.00 0.00 0.00 57.72 58.13 2ron n HIS 135 Cb 0.29 -1.16 0.60 0.00 -0.00 0.00 0.00 29.99 29.72 2ron n HIS 135 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 2ron h ILE 136 N 0.02 0.59 -6.95 3.57 6.09 -0.37 -3.46 117.51 116.99 2ron h ILE 136 Ca -0.36 -0.82 -0.58 0.00 -1.37 0.00 0.00 64.86 61.73 2ron h ILE 136 Cb 2.03 1.54 -0.20 0.00 0.47 0.00 0.00 36.82 40.66 2ron h ILE 136 CO 0.07 0.17 -0.90 2.30 -3.07 0.00 0.00 178.15 176.72 2ron n ILE 137 N -3.54 -0.92 0.03 2.19 -5.35 -0.51 -4.80 119.36 106.47 2ron n ILE 137 Ca -0.01 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2ron n ILE 137 Cb 0.33 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 37.30 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 -4.34 0.00 -2.18 6.28 -0.06 -1.26 -4.11 117.38 111.70 2ron n GLN 138 Ca -0.30 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.57 2ron n GLN 138 Cb 0.65 -0.22 -0.02 0.00 -4.06 0.00 0.00 30.24 26.60 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2ron n LEU 139 N -3.00 -1.17 0.00 1.69 4.77 -1.26 -1.78 117.00 116.25 2ron n LEU 139 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2ron n LEU 139 Cb 0.00 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 2ron n LEU 139 CO 0.00 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 2ron n GLY 140 N -0.69 1.67 0.00 -0.72 0.00 -1.26 -4.70 105.19 99.50 2ron n GLY 140 Ca -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.39 2.59 -0.02 0.00 -0.73 -5.07 105.19 101.57 2ron n GLY 141 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 2ron n GLY 141 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ron s MET 142 N 0.00 0.84 -0.02 1.61 0.00 -1.21 -5.02 119.30 115.50 2ron s MET 142 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 55.69 53.86 2ron s MET 142 Cb 0.00 -1.78 -0.05 0.00 0.00 0.00 0.00 34.83 33.00 2ron s MET 142 CO 0.00 -1.16 1.47 -1.25 0.00 0.00 0.00 175.02 174.08 2ron s PRO 143 N 0.89 4.24 -0.29 4.11 0.04 -1.26 -4.47 135.00 138.27 2ron s PRO 143 Ca 0.17 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.02 2ron s PRO 143 Cb -0.23 -3.69 0.14 0.00 0.04 0.00 0.00 34.50 30.76 2ron s PRO 143 CO -0.04 -0.67 1.05 0.00 0.04 0.00 0.00 177.00 177.38 2ron s ALA 144 N 2.94 -2.14 0.00 8.56 0.00 -1.26 -5.03 121.76 124.82 2ron s ALA 144 Ca 0.66 2.01 0.00 0.00 0.00 0.00 0.00 51.96 54.63 2ron s ALA 144 Cb -0.32 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2ron s ALA 144 CO 0.26 -0.28 0.00 0.39 0.00 0.00 0.00 175.76 176.14 2ron n GLU 145 N 2.84 0.00 -0.04 0.00 1.02 -1.26 -4.87 120.64 118.34 2ron n GLU 145 Ca -0.15 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.00 2ron n GLU 145 Cb 0.57 -0.61 0.02 0.00 -0.02 0.00 0.00 31.44 31.40 2ron n GLU 145 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2ron n LEU 146 N -1.95 1.57 -0.00 -4.62 -0.00 -1.26 -4.66 117.00 106.07 2ron n LEU 146 Ca 0.00 -1.74 0.10 0.00 -0.00 0.00 0.00 56.01 54.38 2ron n LEU 146 Cb 0.17 -0.07 -0.16 0.00 -0.00 0.00 0.00 43.42 43.37 2ron n LEU 146 CO 0.00 0.42 -0.70 1.33 -0.00 0.00 0.00 177.39 178.44 2ron n VAL 147 N -0.53 0.09 -0.18 1.47 0.24 -1.26 -4.30 118.33 113.86 2ron n VAL 147 Ca 0.03 -0.51 0.22 0.00 -2.04 0.00 0.00 64.34 62.03 2ron n VAL 147 Cb 0.38 -0.04 0.61 0.00 -1.47 0.00 0.00 33.84 33.32 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 0.20 0.00 7.34 4.11 -1.91 0.18 114.58 124.51 2ron h GLU 148 Ca -0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2ron h GLU 148 Cb 1.03 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2ron h GLU 148 CO 0.00 0.13 -0.00 -0.97 0.07 0.00 0.00 179.01 178.24 2ron h ASN 149 N 0.21 -0.00 -0.85 3.06 -0.73 -1.93 -2.17 115.58 113.17 2ron h ASN 149 Ca 0.41 0.00 0.22 0.00 1.87 0.00 0.00 56.30 58.81 2ron h ASN 149 Cb 1.30 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.84 2ron h ASN 149 CO -0.09 -0.00 0.59 0.07 -0.37 0.00 0.00 177.43 177.63 2ron h LYS 150 N -0.00 0.17 -0.23 6.67 2.10 -1.75 0.31 116.57 123.84 2ron h LYS 150 Ca -0.00 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 2ron h LYS 150 Cb 0.00 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 2ron h LYS 150 CO 0.00 0.12 -0.24 0.93 -2.00 0.00 0.00 179.45 178.26 2ron h GLU 151 N 0.18 0.43 0.00 0.07 5.08 -0.68 0.21 114.58 119.86 2ron h GLU 151 Ca 0.43 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 2ron h GLU 151 Cb 1.39 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2ron h GLU 151 CO -0.08 0.64 -0.55 0.28 -1.00 0.00 0.00 179.01 178.30 2ron h VAL 152 N 0.38 1.28 -0.22 3.13 2.07 0.30 0.39 116.25 123.58 2ron h VAL 152 Ca 0.06 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.64 2ron h VAL 152 Cb 0.62 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2ron h VAL 152 CO 0.04 0.53 0.00 1.15 0.02 0.00 0.00 177.57 179.32 2ron n MET 153 N -3.73 2.29 0.00 1.57 0.00 -0.98 -4.18 117.12 112.09 2ron n MET 153 Ca -0.01 -2.06 0.00 0.00 0.00 0.00 0.00 57.70 55.63 2ron n MET 153 Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.34 2ron n MET 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2ron n SER 154 N 1.34 0.00 0.15 3.17 7.64 0.69 -4.56 113.62 122.06 2ron n SER 154 Ca 0.16 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.23 2ron n SER 154 Cb 0.57 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.55 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 -4.59 1.43 -1.00 -0.45 -3.41 116.94 108.91 2ron h PHE 155 Ca 0.00 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 2ron h PHE 155 Cb 0.00 0.00 0.10 0.00 3.61 0.00 0.00 35.95 39.66 2ron h PHE 155 CO 0.00 0.00 -0.41 0.34 -1.61 0.00 0.00 178.31 176.63 2ron n PHE 156 N -3.62 -1.71 -1.29 -0.55 -0.00 0.04 -4.10 117.46 106.24 2ron n PHE 156 Ca 0.05 0.61 -0.37 0.00 -0.00 0.00 0.00 57.45 57.74 2ron n PHE 156 Cb 0.51 -3.47 0.06 0.00 -0.00 0.00 0.00 39.48 36.58 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 -2.33 0.49 -2.20 -2.13 -0.00 -1.25 -4.51 117.00 105.08 2ron n LEU 157 Ca -0.03 0.61 -0.05 0.00 -0.00 0.00 0.00 56.01 56.53 2ron n LEU 157 Cb 0.56 -1.18 -0.07 0.00 -0.00 0.00 0.00 43.42 42.72 2ron n LEU 157 CO 0.38 -3.24 0.98 -0.81 -0.00 0.00 0.00 177.39 174.70 2ron n PRO 158 N -0.46 0.92 -3.45 1.47 -0.04 -1.26 -4.51 135.00 127.68 2ron n PRO 158 Ca 0.10 -0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 62.86 2ron n PRO 158 Cb 0.50 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 2ron n PRO 158 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ron s SER 159 N 2.45 2.65 0.39 3.54 0.15 -1.26 -4.91 113.70 116.70 2ron s SER 159 Ca 0.29 -1.99 0.28 0.00 0.70 0.00 0.00 55.95 55.23 2ron s SER 159 Cb 0.14 -0.20 1.12 0.00 -1.71 0.00 0.00 66.02 65.37 2ron s SER 159 CO 0.00 -0.31 1.83 -0.26 1.20 0.00 0.00 173.24 175.70 2ron h PHE 160 N 7.14 0.00 0.00 3.44 -1.00 -1.98 -2.67 116.94 121.88 2ron h PHE 160 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 2ron h PHE 160 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 2ron h PHE 160 CO 0.41 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.65 2ron n ARG 161 N -2.62 0.00 0.22 1.51 3.00 -1.26 0.09 116.66 117.59 2ron n ARG 161 Ca 0.02 0.29 0.06 0.00 -0.01 0.00 0.00 57.85 58.21 2ron n ARG 161 Cb 0.28 -1.29 0.50 0.00 0.00 0.00 0.00 32.46 31.96 2ron n ARG 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ron h SER 162 N 0.00 0.00 0.07 0.55 0.87 -1.97 -2.03 113.55 111.04 2ron h SER 162 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2ron h SER 162 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2ron h SER 162 CO 0.00 0.22 -0.03 -0.78 -0.53 0.00 0.00 176.83 175.71 2ron h ASP 163 N 0.00 -0.08 -0.96 6.23 3.58 -1.49 0.26 116.42 123.97 2ron h ASP 163 Ca -0.00 0.00 0.26 0.00 0.42 0.00 0.00 57.03 57.71 2ron h ASP 163 Cb 0.42 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.43 2ron h ASP 163 CO 0.03 -0.03 0.66 0.22 -2.88 0.00 0.00 179.24 177.24 2ron h TYR 164 N -0.13 0.28 0.05 0.28 5.03 -0.39 0.50 116.97 122.58 2ron h TYR 164 Ca -0.01 0.01 -0.24 0.00 2.58 0.00 0.00 58.73 61.07 2ron h TYR 164 Cb 0.07 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.27 2ron h TYR 164 CO 0.12 0.05 -1.05 -0.09 -1.32 0.00 0.00 178.16 175.88 2ron h ARG 165 N 0.19 0.32 -0.00 1.82 2.43 -1.39 0.35 114.38 118.10 2ron h ARG 165 Ca 0.49 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2ron h ARG 165 Cb 1.59 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2ron h ARG 165 CO -0.11 1.13 -0.13 0.00 -1.51 0.00 0.00 179.97 179.34 2ron n ALA 166 N -2.52 2.81 0.02 2.80 0.00 0.99 0.28 120.51 124.88 2ron n ALA 166 Ca -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.10 2ron n ALA 166 Cb 0.90 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 2ron n ALA 166 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ron n LEU 167 N -0.91 0.02 0.00 0.00 7.99 0.13 -4.80 117.00 119.44 2ron n LEU 167 Ca 0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 2ron n LEU 167 Cb 0.29 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 2ron n LEU 167 CO 0.24 0.01 -0.31 -0.62 -1.51 0.00 0.00 177.39 175.19 2ron n GLU 168 N -1.48 1.63 -3.61 3.23 -0.58 0.12 -5.04 120.64 114.91 2ron n GLU 168 Ca -0.00 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 2ron n GLU 168 Cb 0.06 -0.81 0.08 0.00 -0.57 0.00 0.00 31.44 30.19 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 -1.67 -7.56 0.00 3.49 6.02 0.14 -4.86 117.38 112.94 2ron n GLN 169 Ca 0.00 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 2ron n GLN 169 Cb 0.31 -5.84 0.00 0.00 1.02 0.00 0.00 30.24 25.73 2ron n GLN 169 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2ron n PHE 170 N -4.86 0.00 -1.00 1.08 7.35 -1.26 -5.06 117.46 113.71 2ron n PHE 170 Ca -0.03 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.31 2ron n PHE 170 Cb 0.57 0.00 0.09 0.00 0.35 0.00 0.00 39.48 40.50 2ron n PHE 170 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2ron n GLU 171 N -1.74 -0.04 -4.46 -4.13 -0.58 -1.26 -5.03 120.64 103.40 2ron n GLU 171 Ca 0.00 0.03 -0.24 0.00 -0.42 0.00 0.00 57.16 56.53 2ron n GLU 171 Cb 0.24 -1.77 -0.08 0.00 -0.57 0.00 0.00 31.44 29.27 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 0.06 1.92 0.52 -4.62 1.43 -1.26 -4.94 118.68 111.79 2ron s LEU 172 Ca 0.59 -1.72 0.27 0.00 -1.03 0.00 0.00 54.13 52.23 2ron s LEU 172 Cb -0.26 0.09 1.40 0.00 0.03 0.00 0.00 46.19 47.44 2ron s LEU 172 CO 0.65 -0.99 1.94 0.10 0.23 0.00 0.00 176.35 178.27 2ron h TYR 173 N 1.85 0.06 -3.53 0.29 -0.00 -2.01 -3.36 116.97 110.27 2ron h TYR 173 Ca -0.32 0.00 -0.66 0.00 -0.00 0.00 0.00 58.73 57.75 2ron h TYR 173 Cb 1.26 -0.02 -0.26 0.00 -0.00 0.00 0.00 36.73 37.71 2ron h TYR 173 CO 1.64 0.02 -0.67 0.16 -0.00 0.00 0.00 178.16 179.32 2ron s ASP 174 N -5.90 4.77 -0.05 0.10 -4.77 -1.26 -4.93 116.67 104.63 2ron s ASP 174 Ca -0.05 -0.50 0.07 0.00 -3.30 0.00 0.00 52.55 48.76 2ron s ASP 174 Cb 0.21 -1.82 0.10 0.00 -1.09 0.00 0.00 42.92 40.32 2ron s ASP 174 CO 0.76 -0.09 0.98 0.00 0.70 0.00 0.00 175.17 177.51 2ron n LEU 175 N 4.84 1.49 -4.75 2.11 -0.00 -1.26 -5.07 117.00 114.35 2ron n LEU 175 Ca -0.16 -1.92 -0.29 0.00 -0.00 0.00 0.00 56.01 53.64 2ron n LEU 175 Cb 0.50 -0.15 0.15 0.00 -0.00 0.00 0.00 43.42 43.91 2ron n LEU 175 CO 0.30 0.46 0.69 0.00 -0.00 0.00 0.00 177.39 178.84 2ron s ALA 176 N -1.36 1.54 -1.06 1.47 0.00 -1.26 -4.36 121.76 116.73 2ron s ALA 176 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 2ron s ALA 176 Cb 0.10 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 2ron s ALA 176 CO 0.01 -2.43 0.92 1.04 0.00 0.00 0.00 175.76 175.31 2ron n GLN 177 N -3.88 -2.87 -3.68 0.00 6.02 -1.19 -4.99 117.38 106.80 2ron n GLN 177 Ca 0.06 0.86 -0.19 0.00 -0.01 0.00 0.00 57.00 57.72 2ron n GLN 177 Cb 0.58 -5.81 -0.18 0.00 1.02 0.00 0.00 30.24 25.86 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ron s ILE 178 N -3.38 -0.13 -0.29 5.09 -1.09 -1.26 -5.07 121.20 115.07 2ron s ILE 178 Ca 0.39 0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 59.06 2ron s ILE 178 Cb -0.05 -0.17 0.14 0.00 -1.58 0.00 0.00 42.46 40.80 2ron s ILE 178 CO 0.73 0.17 0.90 0.00 -1.23 0.00 0.00 174.94 175.51 2ron s GLN 179 N 2.12 0.44 0.02 2.79 -2.07 -1.26 -2.98 119.66 118.72 2ron s GLN 179 Ca 0.04 0.85 0.00 0.00 -1.82 0.00 0.00 55.36 54.43 2ron s GLN 179 Cb -0.12 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 2ron s GLN 179 CO -0.03 -0.11 0.00 0.43 -1.32 0.00 0.00 175.29 174.26 2ron n SER 180 N 4.27 -0.21 -2.76 12.60 7.64 -1.26 -4.78 113.62 129.11 2ron n SER 180 Ca -0.16 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2ron n SER 180 Cb 0.56 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 -2.82 -0.53 -5.06 1.43 -0.04 -1.26 -3.81 135.00 122.91 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 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2ron n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ron s VAL 182 N -0.75 1.85 0.02 0.52 1.01 -1.13 -1.45 120.40 120.46 2ron s VAL 182 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2ron s VAL 182 Cb 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2ron s VAL 182 CO 0.00 0.51 -0.01 -1.00 0.00 0.00 0.00 175.10 174.60 2ron s HIS 183 N 0.43 0.24 -0.10 5.22 3.76 -0.93 -2.00 115.29 121.92 2ron s HIS 183 Ca -0.18 -0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 54.16 2ron s HIS 183 Cb -0.17 -0.18 0.03 0.00 1.11 0.00 0.00 32.58 33.37 2ron s HIS 183 CO 0.08 -0.21 0.24 0.08 -0.85 0.00 0.00 174.74 174.07 2ron s VAL 184 N -1.57 -0.02 0.30 -0.90 1.01 -1.16 -3.65 120.40 114.41 2ron s VAL 184 Ca -0.15 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.00 2ron s VAL 184 Cb -0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.88 2ron s VAL 184 CO -0.01 0.03 -0.16 -0.36 0.00 0.00 0.00 175.10 174.60 2ron s PHE 185 N 0.60 2.31 0.22 5.22 0.08 -0.92 -2.13 117.98 123.35 2ron s PHE 185 Ca -0.04 -0.40 -0.21 0.00 0.12 0.00 0.00 56.93 56.40 2ron s PHE 185 Cb -0.05 -1.13 0.07 0.00 -0.57 0.00 0.00 43.02 41.34 2ron s PHE 185 CO -0.03 0.65 1.00 0.54 -0.10 0.00 0.00 175.22 177.28 2ron s ASN 186 N -3.54 0.01 0.95 1.36 2.20 -1.25 -1.66 114.94 113.01 2ron s ASN 186 Ca 0.31 -0.75 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 2ron s ASN 186 Cb -0.02 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.79 2ron s ASN 186 CO 0.15 -1.11 0.00 0.61 -2.94 0.00 0.00 177.10 173.82 2ron n GLY 187 N -0.68 0.62 4.41 0.45 0.00 0.34 -4.23 105.19 106.09 2ron n GLY 187 Ca -0.04 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.83 -0.31 0.99 -0.00 -0.92 -3.40 117.00 112.53 2ron n LEU 188 Ca 0.00 -1.13 0.11 0.00 -0.00 0.00 0.00 56.01 54.99 2ron n LEU 188 Cb 0.00 -1.59 0.34 0.00 -0.00 0.00 0.00 43.42 42.17 2ron n LEU 188 CO 0.00 0.10 1.22 -2.24 -0.00 0.00 0.00 177.39 176.47 2ron h ASP 189 N -0.85 0.74 0.00 1.45 2.03 -1.90 -3.01 116.42 114.88 2ron h ASP 189 Ca -0.56 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2ron h ASP 189 Cb 1.37 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2ron h ASP 189 CO 0.84 0.35 0.00 0.47 -1.03 0.00 0.00 179.24 179.87 2ron n ASP 190 N -4.62 0.00 -4.39 4.15 9.92 -1.26 -0.05 116.55 120.30 2ron n ASP 190 Ca 0.19 0.87 -0.30 0.00 -0.53 0.00 0.00 54.79 55.03 2ron n ASP 190 Cb 0.48 -0.37 -0.13 0.00 -0.64 0.00 0.00 41.12 40.46 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 -2.48 1.64 0.00 -1.24 2.20 -1.14 -2.73 119.74 115.99 2ron s LYS 191 Ca 0.00 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 54.39 2ron s LYS 191 Cb 0.00 -1.98 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 2ron s LYS 191 CO 0.00 0.48 0.00 0.36 -0.36 0.00 0.00 175.35 175.83 2ron n LYS 192 N 1.23 1.70 -0.05 4.03 2.85 -1.26 -4.70 118.16 121.97 2ron n LYS 192 Ca -0.17 0.00 0.24 0.00 -1.05 0.00 0.00 58.31 57.32 2ron n LYS 192 Cb 0.53 -0.92 0.72 0.00 -0.65 0.00 0.00 35.03 34.71 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ron h ILE 194 N 0.00 1.27 0.19 0.00 2.10 -1.99 -0.71 117.51 118.37 2ron h ILE 194 Ca 0.31 -1.24 -0.01 0.00 1.08 0.00 0.00 64.86 65.00 2ron h ILE 194 Cb 1.32 0.96 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 2ron h ILE 194 CO -0.00 0.44 -0.12 -0.09 -1.08 0.00 0.00 178.15 177.30 2ron h ARG 195 N 0.88 -0.29 -0.11 2.19 9.65 -1.10 -1.60 114.38 124.00 2ron h ARG 195 Ca 0.14 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.97 2ron h ARG 195 Cb 0.65 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 2ron h ARG 195 CO 0.04 -0.19 -0.27 -0.44 2.80 0.00 0.00 179.97 181.92 2ron h ASP 196 N -0.30 0.20 0.08 -3.80 5.19 -1.52 0.41 116.42 116.68 2ron h ASP 196 Ca -0.02 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2ron h ASP 196 Cb 0.25 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2ron h ASP 196 CO 0.02 0.47 -0.04 0.00 -3.12 0.00 0.00 179.24 176.57 2ron h ALA 197 N 1.55 -0.95 0.00 3.45 0.00 -0.69 0.25 119.26 122.86 2ron h ALA 197 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ron h ALA 197 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ron h ALA 197 CO 0.04 -0.94 0.00 -0.85 0.00 0.00 0.00 179.25 177.50 2ron n GLU 198 N -2.30 0.09 0.06 0.00 0.28 -0.64 -1.81 120.64 116.33 2ron n GLU 198 Ca -0.01 0.23 -0.22 0.00 -0.16 0.00 0.00 57.16 56.99 2ron n GLU 198 Cb 0.04 -1.65 -0.15 0.00 1.43 0.00 0.00 31.44 31.12 2ron n GLU 198 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ron h GLY 199 N 3.34 0.41 1.43 -1.84 0.00 -0.12 -3.35 103.07 102.94 2ron h GLY 199 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.27 2ron h GLY 199 CO 0.00 0.93 -0.52 -0.25 0.00 0.00 0.00 176.54 176.70 2ron h TRP 200 N -0.07 0.00 -0.85 5.60 2.91 -0.47 -3.33 115.95 119.75 2ron h TRP 200 Ca -0.30 0.00 0.15 0.00 1.13 0.00 0.00 58.89 59.88 2ron h TRP 200 Cb 1.96 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 30.54 2ron h TRP 200 CO 0.12 0.00 0.56 1.57 -1.03 0.00 0.00 178.44 179.66 2ron h LYS 201 N 0.00 0.54 0.00 2.65 5.09 -1.49 0.25 116.57 123.61 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 0.91 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 33.12 2ron h LYS 201 CO 0.00 0.36 -0.61 0.36 -2.09 0.00 0.00 179.45 177.47 2ron n LYS 202 N -4.53 0.22 -2.16 0.07 2.85 -1.25 -4.93 118.16 108.43 2ron n LYS 202 Ca 0.17 0.06 -0.14 0.00 -1.05 0.00 0.00 58.31 57.34 2ron n LYS 202 Cb 0.52 -1.63 -0.02 0.00 -0.65 0.00 0.00 35.03 33.25 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -1.95 -1.06 -3.87 5.58 7.02 0.88 -3.16 117.44 120.87 2ron n TRP 203 Ca 0.04 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.17 2ron n TRP 203 Cb 0.41 -2.95 -0.09 0.00 -2.42 0.00 0.00 31.31 26.27 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 -2.58 3.52 -0.27 6.99 0.00 -1.26 -4.57 121.76 123.59 2ron s ALA 204 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2ron s ALA 204 Cb 0.00 -2.05 0.09 0.00 0.00 0.00 0.00 23.12 21.16 2ron s ALA 204 CO 0.00 0.13 0.07 0.15 0.00 0.00 0.00 175.76 176.12 2ron s LYS 205 N 0.44 0.72 1.04 0.00 1.02 -1.16 -4.95 119.74 116.84 2ron s LYS 205 Ca 0.05 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 55.03 2ron s LYS 205 Cb -0.12 -2.00 0.06 0.00 -0.52 0.00 0.00 37.83 35.24 2ron s LYS 205 CO -0.00 -0.87 0.11 -0.25 -0.92 0.00 0.00 175.35 173.42 2ron n ASP 206 N 4.92 -2.40 -0.28 2.83 8.00 -1.26 -4.60 116.55 123.77 2ron n ASP 206 Ca -0.05 0.09 0.29 0.00 0.71 0.00 0.00 54.79 55.84 2ron n ASP 206 Cb 0.44 -1.05 0.67 0.00 -0.02 0.00 0.00 41.12 41.16 2ron n ASP 206 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2ron h ILE 207 N -1.77 0.50 -2.48 0.53 1.08 -1.35 -3.29 117.51 110.72 2ron h ILE 207 Ca -0.48 -0.04 -0.50 0.00 -0.39 0.00 0.00 64.86 63.44 2ron h ILE 207 Cb 1.32 0.36 -0.37 0.00 -3.07 0.00 0.00 36.82 35.06 2ron h ILE 207 CO 0.35 0.02 -0.78 -0.89 -0.69 0.00 0.00 178.15 176.17 2ron s THR 208 N -5.12 -0.06 -0.10 -0.27 2.01 -1.24 -5.05 115.64 105.81 2ron s THR 208 Ca -0.06 -1.20 0.02 0.00 0.31 0.00 0.00 61.69 60.76 2ron s THR 208 Cb 0.23 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 2ron s THR 208 CO 0.79 -0.80 -0.16 0.72 -0.69 0.00 0.00 174.62 174.48 2ron s PHE 209 N 1.54 2.70 -0.24 4.92 -0.71 -1.24 -2.20 117.98 122.75 2ron s PHE 209 Ca 0.15 -0.58 -0.03 0.00 -1.04 0.00 0.00 56.93 55.42 2ron s PHE 209 Cb -0.19 -1.74 0.13 0.00 -1.21 0.00 0.00 43.02 40.01 2ron s PHE 209 CO -0.13 -0.14 0.41 -1.58 -1.34 0.00 0.00 175.22 172.44 2ron s HIS 210 N 0.01 -0.92 0.17 3.49 2.46 -1.24 -5.05 115.29 114.21 2ron s HIS 210 Ca -0.05 1.07 -0.02 0.00 0.47 0.00 0.00 55.06 56.53 2ron s HIS 210 Cb -0.15 0.14 -0.05 0.00 -0.13 0.00 0.00 32.58 32.40 2ron s HIS 210 CO 0.04 -0.70 0.38 1.14 -2.47 0.00 0.00 174.74 173.13 2ron s GLN 211 N 2.60 3.55 -0.30 2.88 -2.07 -1.26 -2.16 119.66 122.90 2ron s GLN 211 Ca 0.11 -0.25 -0.03 0.00 -1.82 0.00 0.00 55.36 53.37 2ron s GLN 211 Cb -0.15 -2.85 0.10 0.00 -1.09 0.00 0.00 33.01 29.02 2ron s GLN 211 CO -0.16 0.43 0.12 0.12 -1.32 0.00 0.00 175.29 174.48 2ron s PHE 212 N -1.77 0.83 -0.06 9.60 5.36 -0.67 -4.93 117.98 126.33 2ron s PHE 212 Ca 0.39 -1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 55.17 2ron s PHE 212 Cb -0.12 -1.19 -0.03 0.00 -0.34 0.00 0.00 43.02 41.34 2ron s PHE 212 CO 0.27 -0.84 -0.01 0.16 -1.46 0.00 0.00 175.22 173.34 2ron s ASP 213 N 1.92 5.08 0.00 6.13 1.47 -1.26 -0.51 116.67 129.51 2ron s ASP 213 Ca 0.09 0.07 0.00 0.00 1.18 0.00 0.00 52.55 53.89 2ron s ASP 213 Cb -0.16 -1.37 0.00 0.00 -0.34 0.00 0.00 42.92 41.04 2ron s ASP 213 CO -0.32 0.35 0.00 0.61 0.68 0.00 0.00 175.17 176.49 2ron n GLY 214 N 1.96 -0.11 0.00 2.12 0.00 -1.22 -4.60 105.19 103.33 2ron n GLY 214 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.02 0.79 0.11 -0.02 0.00 0.26 -4.64 105.19 103.71 2ron n GLY 215 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.79 1.61 8.25 0.92 -4.44 115.22 120.78 2ron n HIS 216 Ca 0.00 -0.56 -0.33 0.00 -0.26 0.00 0.00 57.72 56.57 2ron n HIS 216 Cb 0.00 -0.09 0.12 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.75 -0.42 -0.17 -0.41 0.00 -1.10 -4.35 117.12 109.93 2ron n MET 217 Ca 0.07 -0.08 0.28 0.00 0.00 0.00 0.00 57.70 57.96 2ron n MET 217 Cb 0.52 -1.80 0.72 0.00 0.00 0.00 0.00 33.22 32.66 2ron n MET 217 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2ron h PHE 218 N -1.59 0.00 0.02 1.12 3.57 -1.90 0.22 116.94 118.37 2ron h PHE 218 Ca -0.44 0.00 -0.40 0.00 3.53 0.00 0.00 57.97 60.65 2ron h PHE 218 Cb 1.29 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.97 2ron h PHE 218 CO 0.36 0.00 -2.36 -0.11 -2.23 0.00 0.00 178.31 173.97 2ron n LEU 219 N -4.25 2.52 0.24 0.59 -0.00 -1.26 -3.69 117.00 111.15 2ron n LEU 219 Ca 0.18 0.10 0.17 0.00 -0.00 0.00 0.00 56.01 56.46 2ron n LEU 219 Cb 0.94 -0.91 0.87 0.00 -0.00 0.00 0.00 43.42 44.33 2ron n LEU 219 CO 0.38 0.76 1.14 -0.07 -0.00 0.00 0.00 177.39 179.61 2ron h LEU 220 N -0.39 0.00 0.12 -1.96 3.38 -1.71 -1.02 115.31 113.72 2ron h LEU 220 Ca -0.59 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.07 2ron h LEU 220 Cb 1.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2ron h LEU 220 CO -0.19 0.00 -1.63 -1.28 0.09 0.00 0.00 178.44 175.43 2ron h SER 221 N 0.00 0.39 -0.40 -0.43 0.87 -0.78 -3.34 113.55 109.86 2ron h SER 221 Ca 0.05 -0.59 -0.06 0.00 -1.23 0.00 0.00 61.79 59.96 2ron h SER 221 Cb 0.32 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2ron h SER 221 CO -0.00 1.50 0.06 -0.61 -0.53 0.00 0.00 176.83 177.25 2ron h GLN 222 N 0.07 0.75 -3.92 2.24 5.75 -1.30 -3.36 115.11 115.34 2ron h GLN 222 Ca -0.28 -0.17 -0.73 0.00 -0.15 0.00 0.00 58.65 57.32 2ron h GLN 222 Cb 2.03 -0.10 -0.31 0.00 1.07 0.00 0.00 27.48 30.17 2ron h GLN 222 CO 0.15 0.72 -0.26 0.95 -2.65 0.00 0.00 178.83 177.74 2ron s THR 223 N -5.09 4.36 0.57 2.39 -4.23 -0.72 -4.92 115.64 108.01 2ron s THR 223 Ca -0.09 -2.40 0.28 0.00 -1.18 0.00 0.00 61.69 58.30 2ron s THR 223 Cb 0.15 -3.81 0.37 0.00 1.34 0.00 0.00 72.50 70.56 2ron s THR 223 CO 0.80 -0.88 2.02 1.05 -0.54 0.00 0.00 174.62 177.07 2ron h GLU 224 N 7.75 0.00 0.20 3.99 4.11 -1.77 -1.74 114.58 127.11 2ron h GLU 224 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2ron h GLU 224 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2ron h GLU 224 CO 0.78 0.00 -0.10 1.49 0.07 0.00 0.00 179.01 181.25 2ron h GLU 225 N 0.00 -0.26 -0.96 1.06 4.57 -1.91 -1.94 114.58 115.14 2ron h GLU 225 Ca 0.16 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.46 2ron h GLU 225 Cb 0.80 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.37 2ron h GLU 225 CO -0.00 -0.15 0.60 0.28 -1.18 0.00 0.00 179.01 178.55 2ron h VAL 226 N -0.30 0.94 0.92 0.32 2.07 -1.62 -0.84 116.25 117.74 2ron h VAL 226 Ca -0.03 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 2ron h VAL 226 Cb 0.23 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2ron h VAL 226 CO 0.05 0.18 -0.44 0.00 0.02 0.00 0.00 177.57 177.37 2ron h ALA 227 N 1.51 -1.30 -0.51 1.67 0.00 -1.43 -1.72 119.26 117.48 2ron h ALA 227 Ca 0.46 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.25 2ron h ALA 227 Cb 0.41 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2ron h ALA 227 CO -0.25 -1.21 0.39 1.49 0.00 0.00 0.00 179.25 179.67 2ron h GLU 228 N -1.26 0.00 0.05 0.00 4.81 -1.11 -1.39 114.58 115.68 2ron h GLU 228 Ca -0.13 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2ron h GLU 228 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2ron h GLU 228 CO 0.21 0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 178.46 2ron h ARG 229 N 0.00 -0.07 0.72 1.92 3.08 -0.79 -0.81 114.38 118.44 2ron h ARG 229 Ca 0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 2ron h ARG 229 Cb 1.03 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.10 2ron h ARG 229 CO -0.00 0.29 -0.36 0.82 -1.07 0.00 0.00 179.97 179.65 2ron h ILE 230 N -0.44 0.26 -0.76 2.04 1.08 -0.36 -2.46 117.51 116.88 2ron h ILE 230 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 2ron h ILE 230 Cb 0.39 0.26 -0.08 0.00 -3.07 0.00 0.00 36.82 34.33 2ron h ILE 230 CO 0.01 0.00 0.39 0.15 -0.69 0.00 0.00 178.15 178.01 2ron h PHE 231 N -0.99 0.70 0.02 1.37 3.04 -1.47 -0.56 116.94 119.05 2ron h PHE 231 Ca -0.10 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.88 2ron h PHE 231 Cb 0.76 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 2ron h PHE 231 CO -0.04 0.25 -0.09 0.00 -2.02 0.00 0.00 178.31 176.41 2ron h ALA 232 N 1.46 -0.64 -0.73 2.41 0.00 -0.95 -1.40 119.26 119.40 2ron h ALA 232 Ca 0.38 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.42 2ron h ALA 232 Cb 0.41 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2ron h ALA 232 CO -0.28 -0.66 0.49 0.97 0.00 0.00 0.00 179.25 179.77 2ron h ILE 233 N -0.13 0.78 -0.40 0.00 6.09 -1.30 0.30 117.51 122.84 2ron h ILE 233 Ca -0.00 -0.12 0.05 0.00 -1.37 0.00 0.00 64.86 63.42 2ron h ILE 233 Cb 0.13 0.39 -0.05 0.00 0.47 0.00 0.00 36.82 37.77 2ron h ILE 233 CO -0.05 0.06 0.12 0.25 -3.07 0.00 0.00 178.15 175.47 2ron h LEU 234 N 0.35 0.10 -0.15 2.19 7.12 -0.33 -0.85 115.31 123.75 2ron h LEU 234 Ca 0.36 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.42 2ron h LEU 234 Cb 0.89 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2ron h LEU 234 CO -0.10 0.09 -0.45 -0.46 -0.13 0.00 0.00 178.44 177.39 2ron n ASN 235 N -5.04 0.69 0.15 1.25 0.23 -0.52 -3.79 115.26 108.23 2ron n ASN 235 Ca 0.03 -0.48 0.07 0.00 -0.53 0.00 0.00 54.58 53.67 2ron n ASN 235 Cb 0.16 0.25 0.07 0.00 -2.08 0.00 0.00 39.78 38.18 2ron n ASN 235 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2ron h GLN 236 N 0.37 0.00 -0.10 -3.83 4.15 0.48 -3.35 115.11 112.82 2ron h GLN 236 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 2ron h GLN 236 Cb 0.50 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 2ron h GLN 236 CO 0.00 0.21 -0.39 1.25 -1.93 0.00 0.00 178.83 177.97 2ron h HIS 237 N 0.00 -1.10 0.00 3.99 2.76 -1.29 0.11 115.15 119.62 2ron h HIS 237 Ca -0.02 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2ron h HIS 237 Cb 1.20 0.50 0.00 0.00 1.55 0.00 0.00 27.41 30.66 2ron h HIS 237 CO 0.00 -0.46 0.00 -0.35 -1.30 0.00 0.00 177.93 175.82 2ron n PRO 238 N -5.43 0.20 -4.13 5.26 -0.04 -1.26 -4.86 135.00 124.73 2ron n PRO 238 Ca -0.04 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 2ron n PRO 238 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 2ron n PRO 238 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2ron n ILE 239 N -1.30 -0.38 -3.75 0.52 -5.35 0.37 -4.89 119.36 104.59 2ron n ILE 239 Ca 0.07 -0.19 -0.12 0.00 -0.27 0.00 0.00 62.75 62.23 2ron n ILE 239 Cb 0.12 -0.63 -0.11 0.00 -1.74 0.00 0.00 39.64 37.28 2ron n ILE 239 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2ron s ILE 240 N -3.50 -0.01 0.28 7.28 1.10 -1.26 -5.12 121.20 119.97 2ron s ILE 240 Ca 0.42 0.04 0.12 0.00 -0.51 0.00 0.00 60.65 60.71 2ron s ILE 240 Cb -0.24 -0.46 -0.05 0.00 0.15 0.00 0.00 42.46 41.86 2ron s ILE 240 CO 0.89 0.02 -0.19 -1.10 -2.11 0.00 0.00 174.94 172.45 2ron s GLN 241 N 0.52 1.71 0.00 3.50 1.11 -1.26 -4.74 119.66 120.51 2ron s GLN 241 Ca -0.03 -1.77 0.16 0.00 0.01 0.00 0.00 55.36 53.73 2ron s GLN 241 Cb -0.04 -1.78 0.94 0.00 -1.01 0.00 0.00 33.01 31.11 2ron s GLN 241 CO -0.03 0.32 1.35 -0.35 0.01 0.00 0.00 175.29 176.58