#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 0.36 7.83 0.01 -1.00 -4.58 113.70 116.62 2ron s SER 2 Ca 0.00 -1.18 0.07 0.00 1.31 0.00 0.00 55.95 56.15 2ron s SER 2 Cb 0.00 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.51 2ron s SER 2 CO 0.00 -0.73 0.41 -1.10 0.41 0.00 0.00 173.24 172.24 2ron s GLN 3 N -4.04 2.86 -0.29 12.44 -0.21 -1.20 -3.59 119.66 125.64 2ron s GLN 3 Ca 0.23 -1.21 -0.18 0.00 0.02 0.00 0.00 55.36 54.22 2ron s GLN 3 Cb 0.07 -2.64 0.13 0.00 1.00 0.00 0.00 33.01 31.58 2ron s GLN 3 CO 0.01 -0.01 0.96 -0.48 -2.12 0.00 0.00 175.29 173.64 2ron s LEU 4 N -4.13 -0.54 0.26 2.90 2.34 -1.26 -1.80 118.68 116.45 2ron s LEU 4 Ca 0.46 0.90 -0.29 0.00 0.06 0.00 0.00 54.13 55.25 2ron s LEU 4 Cb -0.07 1.84 -0.09 0.00 -0.56 0.00 0.00 46.19 47.30 2ron s LEU 4 CO 0.29 -0.14 1.19 -0.36 -1.06 0.00 0.00 176.35 176.27 2ron s PHE 5 N 1.13 3.38 -0.16 3.48 0.08 0.10 -4.90 117.98 121.09 2ron s PHE 5 Ca -0.07 1.52 -0.05 0.00 0.12 0.00 0.00 56.93 58.46 2ron s PHE 5 Cb -0.04 -3.45 0.08 0.00 -0.57 0.00 0.00 43.02 39.04 2ron s PHE 5 CO -0.14 -1.16 0.29 -1.59 -0.10 0.00 0.00 175.22 172.53 2ron s LYS 6 N -1.12 0.20 -0.32 0.44 -2.85 -1.26 -1.22 119.74 113.61 2ron s LYS 6 Ca 0.49 0.69 -0.01 0.00 -1.00 0.00 0.00 55.97 56.14 2ron s LYS 6 Cb -0.35 -0.21 0.13 0.00 -2.06 0.00 0.00 37.83 35.35 2ron s LYS 6 CO 0.43 -0.38 0.25 -1.12 0.10 0.00 0.00 175.35 174.63 2ron s SER 7 N 2.45 2.35 -0.13 0.03 0.01 0.10 -5.01 113.70 113.50 2ron s SER 7 Ca 0.03 -1.34 -0.06 0.00 1.31 0.00 0.00 55.95 55.89 2ron s SER 7 Cb -0.13 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 2ron s SER 7 CO -0.10 -0.36 0.09 0.72 0.41 0.00 0.00 173.24 173.99 2ron s PHE 8 N 1.86 3.41 -0.08 2.43 -0.71 -1.26 -1.13 117.98 122.50 2ron s PHE 8 Ca 0.12 0.35 -0.01 0.00 -1.04 0.00 0.00 56.93 56.36 2ron s PHE 8 Cb -0.16 -1.93 0.03 0.00 -1.21 0.00 0.00 43.02 39.74 2ron s PHE 8 CO -0.22 0.55 -0.01 -0.51 -1.34 0.00 0.00 175.22 173.69 2ron s ASP 9 N -0.68 1.67 -2.09 1.98 1.01 -1.26 -4.78 116.67 112.51 2ron s ASP 9 Ca 0.12 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.27 2ron s ASP 9 Cb -0.12 -0.50 0.00 0.00 1.01 0.00 0.00 42.92 43.32 2ron s ASP 9 CO 0.02 -0.18 0.00 0.00 0.21 0.00 0.00 175.17 175.22 2ron n ALA 10 N 5.12 -0.30 -4.26 5.23 0.00 -1.26 -2.87 120.51 122.16 2ron n ALA 10 Ca -0.08 0.32 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 2ron n ALA 10 Cb 0.50 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.85 2ron n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ron n SER 11 N -1.34 -0.06 0.00 0.00 7.64 -1.26 -4.87 113.62 113.73 2ron n SER 11 Ca -0.20 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.40 2ron n SER 11 Cb 0.67 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2ron n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ron n GLU 12 N -4.67 0.00 -3.66 1.43 1.02 -1.14 -4.88 120.64 108.75 2ron n GLU 12 Ca -0.28 0.49 -0.06 0.00 -0.02 0.00 0.00 57.16 57.28 2ron n GLU 12 Cb 0.67 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ron s LYS 13 N -2.71 0.43 0.09 3.49 1.02 -1.26 -4.89 119.74 115.91 2ron s LYS 13 Ca 0.00 1.14 -0.31 0.00 0.02 0.00 0.00 55.97 56.83 2ron s LYS 13 Cb 0.00 0.43 -0.10 0.00 -0.52 0.00 0.00 37.83 37.65 2ron s LYS 13 CO 0.00 -0.22 1.85 0.99 -0.92 0.00 0.00 175.35 177.05 2ron s THR 14 N 2.48 2.71 -0.42 2.17 2.01 -1.20 -1.63 115.64 121.76 2ron s THR 14 Ca -0.04 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2ron s THR 14 Cb -0.11 -3.05 0.13 0.00 0.01 0.00 0.00 72.50 69.48 2ron s THR 14 CO -0.15 -0.00 0.21 -1.58 -0.69 0.00 0.00 174.62 172.40 2ron s GLN 15 N 3.21 1.27 -0.17 4.92 0.74 -0.76 -1.66 119.66 127.22 2ron s GLN 15 Ca 0.82 -1.91 -0.17 0.00 0.05 0.00 0.00 55.36 54.15 2ron s GLN 15 Cb -0.45 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 2ron s GLN 15 CO 0.37 -1.12 0.42 -1.17 -0.55 0.00 0.00 175.29 173.24 2ron s LEU 16 N 0.52 4.21 0.34 3.68 0.20 0.10 -1.75 118.68 125.98 2ron s LEU 16 Ca 0.16 0.63 0.02 0.00 0.69 0.00 0.00 54.13 55.63 2ron s LEU 16 Cb -0.23 -2.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.95 2ron s LEU 16 CO -0.04 -0.04 0.40 0.27 -0.29 0.00 0.00 176.35 176.65 2ron s ILE 17 N 0.99 0.00 -0.30 6.68 -4.36 0.14 -1.06 121.20 123.30 2ron s ILE 17 Ca 0.21 -1.77 -0.10 0.00 -0.26 0.00 0.00 60.65 58.73 2ron s ILE 17 Cb -0.15 -2.60 0.16 0.00 1.25 0.00 0.00 42.46 41.13 2ron s ILE 17 CO 0.08 0.00 0.81 0.00 0.24 0.00 0.00 174.94 176.07 2ron n PHE 19 N 5.30 -1.92 -1.06 0.00 3.72 -1.26 -4.70 117.46 117.54 2ron n PHE 19 Ca -0.08 0.51 -0.30 0.00 -0.05 0.00 0.00 57.45 57.53 2ron n PHE 19 Cb 0.51 -3.54 0.25 0.00 -0.94 0.00 0.00 39.48 35.77 2ron n PHE 19 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2ron s PRO 20 N -5.92 -1.63 0.00 -1.08 0.04 -1.26 -4.93 135.00 120.22 2ron s PRO 20 Ca 0.42 -0.21 -0.23 0.00 0.04 0.00 0.00 61.00 61.03 2ron s PRO 20 Cb -0.14 -1.56 0.05 0.00 0.04 0.00 0.00 34.50 32.88 2ron s PRO 20 CO 0.85 -3.96 0.50 -0.59 0.04 0.00 0.00 177.00 173.85 2ron s PHE 21 N -3.01 -0.41 -0.01 0.56 -0.71 -1.26 -5.10 117.98 108.04 2ron s PHE 21 Ca 0.72 0.58 -0.03 0.00 -1.04 0.00 0.00 56.93 57.16 2ron s PHE 21 Cb -0.07 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.01 2ron s PHE 21 CO 0.56 -0.57 0.48 0.00 -1.34 0.00 0.00 175.22 174.35 2ron h ALA 22 N 3.12 -0.46 -0.43 1.99 0.00 -1.99 -3.40 119.26 118.09 2ron h ALA 22 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ron h ALA 22 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ron h ALA 22 CO 0.41 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2ron n GLY 23 N 0.62 2.22 0.14 0.00 0.00 -1.26 -2.35 105.19 104.56 2ron n GLY 23 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.28 -0.02 0.00 -1.26 -4.66 105.19 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 0.27 -0.01 1.61 -0.00 -1.89 -0.94 116.97 116.01 2ron h TYR 25 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.73 58.57 2ron h TYR 25 Cb 0.51 -0.09 -0.02 0.00 -0.00 0.00 0.00 36.73 37.14 2ron h TYR 25 CO 0.00 0.19 -0.76 1.03 -0.00 0.00 0.00 178.16 178.62 2ron h SER 26 N 0.28 0.15 0.77 0.10 0.87 -1.69 -1.34 113.55 112.69 2ron h SER 26 Ca 0.07 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.35 2ron h SER 26 Cb 0.01 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2ron h SER 26 CO -0.01 0.85 -0.83 0.00 -0.53 0.00 0.00 176.83 176.30 2ron h ALA 27 N 1.15 0.62 0.13 6.23 0.00 -1.40 -1.29 119.26 124.69 2ron h ALA 27 Ca -0.02 -0.74 -0.29 0.00 0.00 0.00 0.00 54.91 53.86 2ron h ALA 27 Cb 1.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ron h ALA 27 CO 0.11 1.00 -1.37 0.77 0.00 0.00 0.00 179.25 179.76 2ron h SER 28 N 0.02 0.42 1.75 0.00 0.02 -1.18 -3.30 113.55 111.28 2ron h SER 28 Ca -0.02 -0.50 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 2ron h SER 28 Cb 1.46 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2ron h SER 28 CO 0.11 1.40 -0.25 0.15 -1.14 0.00 0.00 176.83 177.10 2ron h PHE 29 N 0.07 0.00 0.11 3.45 3.04 -1.29 -3.21 116.94 119.12 2ron h PHE 29 Ca -0.18 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.79 2ron h PHE 29 Cb 2.00 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.46 2ron h PHE 29 CO 0.06 0.22 -0.43 -0.09 -2.02 0.00 0.00 178.31 176.06 2ron h ARG 30 N 0.00 -0.63 -0.04 1.11 9.65 -1.30 0.34 114.38 123.50 2ron h ARG 30 Ca -0.00 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2ron h ARG 30 Cb 1.17 0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.90 2ron h ARG 30 CO 0.03 -0.42 -0.04 -1.00 2.80 0.00 0.00 179.97 181.34 2ron h PRO 31 N -0.65 0.11 0.13 0.20 0.13 -1.72 -1.24 132.00 128.96 2ron h PRO 31 Ca 0.02 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2ron h PRO 31 Cb 0.68 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 2ron h PRO 31 CO -0.25 0.56 -0.32 1.25 -0.23 0.00 0.00 178.00 179.01 2ron h LEU 32 N -0.34 -0.91 -0.91 1.56 7.12 -1.54 0.42 115.31 120.71 2ron h LEU 32 Ca 0.01 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 2ron h LEU 32 Cb 0.54 0.34 -0.04 0.00 -0.53 0.00 0.00 40.66 40.98 2ron h LEU 32 CO 0.01 -0.41 0.42 -0.74 -0.13 0.00 0.00 178.44 177.59 2ron h HIS 33 N -0.55 1.19 0.00 1.25 2.76 -0.42 -0.90 115.15 118.48 2ron h HIS 33 Ca 0.03 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2ron h HIS 33 Cb 0.58 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.16 2ron h HIS 33 CO -0.28 0.85 0.00 0.00 -1.30 0.00 0.00 177.93 177.21 2ron n ALA 34 N -2.42 2.34 -0.01 5.26 0.00 -0.47 0.23 120.51 125.45 2ron n ALA 34 Ca 0.08 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.45 2ron n ALA 34 Cb 0.13 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.18 0.20 0.00 0.00 7.35 0.14 -4.44 117.46 119.53 2ron n PHE 35 Ca 0.15 0.06 0.03 0.00 -0.76 0.00 0.00 57.45 56.93 2ron n PHE 35 Cb 0.16 -0.70 -0.05 0.00 0.35 0.00 0.00 39.48 39.24 2ron n PHE 35 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2ron n LEU 36 N -2.46 0.01 -4.34 -2.13 7.94 -0.97 -5.06 117.00 109.99 2ron n LEU 36 Ca -0.10 -0.01 -0.19 0.00 -1.11 0.00 0.00 56.01 54.60 2ron n LEU 36 Cb 0.70 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.56 2ron n LEU 36 CO 0.44 0.00 -0.19 -1.10 -1.11 0.00 0.00 177.39 175.44 2ron s GLN 37 N -2.41 1.63 -0.30 1.96 -0.21 0.14 -5.10 119.66 115.37 2ron s GLN 37 Ca -0.02 -1.94 -0.14 0.00 0.02 0.00 0.00 55.36 53.28 2ron s GLN 37 Cb 0.04 -0.07 0.16 0.00 1.00 0.00 0.00 33.01 34.14 2ron s GLN 37 CO 0.26 -0.48 0.95 0.20 -2.12 0.00 0.00 175.29 174.10 2ron s GLY 38 N -3.39 -0.28 -0.88 3.09 0.00 -1.26 -4.11 107.32 100.49 2ron s GLY 38 Ca 0.35 2.92 -0.04 0.00 0.00 0.00 0.00 44.72 47.96 2ron s GLY 38 CO 0.18 3.28 0.77 1.18 0.00 0.00 0.00 173.10 178.51 2ron n GLU 39 N 5.07 -2.50 -1.98 2.90 1.02 -1.26 -5.02 120.64 118.86 2ron n GLU 39 Ca -0.09 0.71 -0.29 0.00 -0.02 0.00 0.00 57.16 57.47 2ron n GLU 39 Cb 0.52 -5.10 0.18 0.00 -0.02 0.00 0.00 31.44 27.02 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 -5.84 2.79 -0.00 0.00 0.41 -0.65 -4.73 118.70 110.69 2ron s GLU 41 Ca 0.74 1.01 -0.30 0.00 -0.41 0.00 0.00 54.97 56.00 2ron s GLU 41 Cb -0.04 -4.35 -0.04 0.00 -1.78 0.00 0.00 34.13 27.92 2ron s GLU 41 CO 0.52 -2.51 1.10 1.41 -0.49 0.00 0.00 175.26 175.29 2ron s MET 42 N 6.75 4.46 -0.22 1.61 1.75 -0.28 -1.83 119.30 131.54 2ron s MET 42 Ca 0.76 1.58 -0.04 0.00 -1.25 0.00 0.00 55.69 56.74 2ron s MET 42 Cb -0.17 -3.45 0.11 0.00 2.84 0.00 0.00 34.83 34.16 2ron s MET 42 CO 0.26 -0.22 0.35 -1.17 -0.65 0.00 0.00 175.02 173.58 2ron s LEU 43 N 1.37 -0.51 0.21 4.11 2.96 -0.72 0.03 118.68 126.13 2ron s LEU 43 Ca 0.54 0.33 0.09 0.00 -0.22 0.00 0.00 54.13 54.87 2ron s LEU 43 Cb -0.24 0.99 -0.05 0.00 0.50 0.00 0.00 46.19 47.39 2ron s LEU 43 CO 0.26 -0.28 -0.16 0.00 -1.32 0.00 0.00 176.35 174.84 2ron s ALA 44 N 2.51 2.13 0.03 5.97 0.00 -0.35 0.26 121.76 132.30 2ron s ALA 44 Ca 0.08 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.38 2ron s ALA 44 Cb -0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2ron s ALA 44 CO -0.14 0.14 0.13 0.00 0.00 0.00 0.00 175.76 175.89 2ron s ALA 45 N -2.70 3.76 0.08 0.00 0.00 -0.15 0.03 121.76 122.78 2ron s ALA 45 Ca 0.22 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 2ron s ALA 45 Cb -0.03 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 2ron s ALA 45 CO 0.08 0.75 0.10 -1.21 0.00 0.00 0.00 175.76 175.47 2ron s GLU 46 N -2.08 0.78 0.94 0.00 0.41 -0.74 -4.18 118.70 113.83 2ron s GLU 46 Ca 0.28 -1.13 -0.12 0.00 -0.41 0.00 0.00 54.97 53.59 2ron s GLU 46 Cb -0.12 0.28 0.15 0.00 -1.78 0.00 0.00 34.13 32.66 2ron s GLU 46 CO 0.20 -0.22 1.09 -1.25 -0.49 0.00 0.00 175.26 174.59 2ron s PRO 47 N -3.91 0.92 0.67 0.39 0.04 -1.26 -3.25 135.00 128.59 2ron s PRO 47 Ca 0.09 0.70 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 2ron s PRO 47 Cb 0.06 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.83 2ron s PRO 47 CO -0.08 -2.44 1.11 -1.25 0.04 0.00 0.00 177.00 174.37 2ron s PRO 48 N -4.95 2.72 0.00 0.56 0.04 -1.26 -3.73 135.00 128.39 2ron s PRO 48 Ca 0.64 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2ron s PRO 48 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2ron s PRO 48 CO 0.57 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2ron n GLY 49 N -0.61 -1.69 0.23 0.56 0.00 -1.26 -4.95 105.19 97.47 2ron n GLY 49 Ca 0.10 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 2ron n GLY 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2ron h HIS 50 N 0.00 0.92 -3.21 1.61 3.86 -2.01 -3.38 115.15 112.95 2ron h HIS 50 Ca 0.00 -0.28 -0.75 0.00 -1.16 0.00 0.00 60.37 58.18 2ron h HIS 50 Cb 0.00 -0.19 -0.22 0.00 1.06 0.00 0.00 27.41 28.05 2ron h HIS 50 CO 0.00 1.05 0.39 0.20 0.86 0.00 0.00 177.93 180.43 2ron s GLY 51 N -3.73 2.32 -0.05 2.45 0.00 -1.26 -4.80 107.32 102.27 2ron s GLY 51 Ca -0.12 -3.04 0.17 0.00 0.00 0.00 0.00 44.72 41.73 2ron s GLY 51 CO 0.84 1.57 1.45 -0.37 0.00 0.00 0.00 173.10 176.60 2ron n THR 52 N 4.66 1.33 -1.72 0.90 5.66 -1.26 -4.30 114.28 119.55 2ron n THR 52 Ca 0.16 -1.13 0.06 0.00 -3.05 0.00 0.00 64.05 60.09 2ron n THR 52 Cb 0.48 0.34 0.11 0.00 -1.55 0.00 0.00 70.33 69.70 2ron n THR 52 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2ron n ASN 53 N 0.92 1.42 -3.70 1.09 6.94 -1.26 -4.93 115.26 115.74 2ron n ASN 53 Ca 0.20 -2.92 -0.12 0.00 -0.02 0.00 0.00 54.58 51.72 2ron n ASN 53 Cb 0.65 -0.39 -0.13 0.00 -2.36 0.00 0.00 39.78 37.55 2ron n ASN 53 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ron s GLN 54 N -1.84 0.21 -0.32 -3.83 -2.07 -1.26 -5.07 119.66 105.47 2ron s GLN 54 Ca 0.29 0.66 -0.12 0.00 -1.82 0.00 0.00 55.36 54.36 2ron s GLN 54 Cb 0.28 -0.06 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 2ron s GLN 54 CO -0.05 -0.21 0.23 0.99 -1.32 0.00 0.00 175.29 174.92 2ron s THR 55 N 1.76 5.28 0.02 3.63 2.01 -1.26 -2.38 115.64 124.70 2ron s THR 55 Ca -0.05 -0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 2ron s THR 55 Cb -0.11 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2ron s THR 55 CO -0.09 0.06 1.10 0.28 -0.69 0.00 0.00 174.62 175.28 2ron h SER 56 N 8.46 -0.27 -4.90 3.53 0.02 -1.94 -3.46 113.55 114.99 2ron h SER 56 Ca -0.32 0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.31 2ron h SER 56 Cb 1.17 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 2ron h SER 56 CO 0.61 -0.10 -0.49 0.00 -1.14 0.00 0.00 176.83 175.70 2ron n ALA 57 N -2.49 -0.98 -3.55 3.77 0.00 -1.26 -1.87 120.51 114.14 2ron n ALA 57 Ca -0.02 0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 2ron n ALA 57 Cb 0.07 -2.56 0.05 0.00 0.00 0.00 0.00 19.45 17.02 2ron n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ron n ILE 58 N -3.85 -6.82 -1.31 0.00 2.08 -1.26 -4.92 119.36 103.28 2ron n ILE 58 Ca -0.06 -1.07 0.08 0.00 0.56 0.00 0.00 62.75 62.26 2ron n ILE 58 Cb 0.57 -4.99 0.14 0.00 -0.75 0.00 0.00 39.64 34.62 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 -3.90 1.23 -0.03 0.38 1.02 -0.78 -4.76 120.64 113.80 2ron n GLU 59 Ca -0.09 -2.63 -0.12 0.00 -0.02 0.00 0.00 57.16 54.29 2ron n GLU 59 Cb 0.60 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.54 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 0.28 0.17 -0.17 1.62 3.04 -1.91 -2.12 116.42 117.33 2ron h ASP 60 Ca -0.01 -0.33 0.05 0.00 -3.24 0.00 0.00 57.03 53.50 2ron h ASP 60 Cb 1.05 -0.05 -0.06 0.00 -1.04 0.00 0.00 39.33 39.23 2ron h ASP 60 CO 0.00 0.47 -0.27 -0.07 -2.04 0.00 0.00 179.24 177.32 2ron h LEU 61 N -0.12 -0.86 0.38 0.15 3.38 -1.99 0.21 115.31 116.47 2ron h LEU 61 Ca 0.03 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2ron h LEU 61 Cb 0.38 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2ron h LEU 61 CO 0.01 -0.31 -0.33 -0.33 0.09 0.00 0.00 178.44 177.56 2ron h GLU 62 N -0.32 -0.70 0.12 1.13 4.39 -1.91 0.30 114.58 117.59 2ron h GLU 62 Ca 0.11 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2ron h GLU 62 Cb 0.49 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2ron h GLU 62 CO -0.35 -0.47 -0.32 1.49 -1.16 0.00 0.00 179.01 178.20 2ron h GLU 63 N -0.73 -0.47 -0.04 2.33 4.81 -1.05 0.11 114.58 119.54 2ron h GLU 63 Ca -0.03 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2ron h GLU 63 Cb 0.64 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.07 2ron h GLU 63 CO -0.03 -0.31 -0.40 -0.07 -0.73 0.00 0.00 179.01 177.46 2ron h LEU 64 N -0.49 -1.23 -1.93 1.64 -0.00 -0.58 0.26 115.31 112.97 2ron h LEU 64 Ca -0.01 0.16 0.20 0.00 -0.00 0.00 0.00 57.88 58.23 2ron h LEU 64 Cb 0.48 0.49 -0.03 0.00 -0.00 0.00 0.00 40.66 41.60 2ron h LEU 64 CO -0.15 -0.44 0.59 0.74 -0.00 0.00 0.00 178.44 179.18 2ron h THR 65 N -0.53 0.45 0.00 0.22 2.02 -0.24 0.25 112.91 115.07 2ron h THR 65 Ca 0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2ron h THR 65 Cb 0.63 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2ron h THR 65 CO -0.33 0.00 -0.11 -0.78 0.37 0.00 0.00 175.52 174.67 2ron h ASP 66 N 0.00 0.00 0.39 4.18 3.58 0.18 0.26 116.42 125.01 2ron h ASP 66 Ca 0.33 -0.79 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2ron h ASP 66 Cb 1.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.55 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 0.56 -0.12 2.28 4.32 0.64 0.35 117.00 120.41 2ron n LEU 67 Ca -0.10 0.69 -0.25 0.00 -0.02 0.00 0.00 56.01 56.33 2ron n LEU 67 Cb 0.42 -0.67 -0.08 0.00 -1.62 0.00 0.00 43.42 41.47 2ron n LEU 67 CO 0.27 -0.70 -1.29 -1.22 -1.22 0.00 0.00 177.39 173.23 2ron n TYR 68 N -2.17 0.00 -0.59 -1.77 4.02 0.77 -4.53 117.16 112.89 2ron n TYR 68 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.83 2ron n TYR 68 Cb 0.14 -0.83 0.22 0.00 -0.02 0.00 0.00 39.34 38.85 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 -4.01 2.98 -0.34 -0.72 4.76 0.93 -4.53 118.16 117.22 2ron n LYS 69 Ca -0.45 -2.38 0.29 0.00 -2.87 0.00 0.00 58.31 52.90 2ron n LYS 69 Cb 0.83 -2.00 0.62 0.00 -1.84 0.00 0.00 35.03 32.64 2ron n LYS 69 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2ron h GLN 70 N 1.91 0.20 0.19 1.97 5.75 -0.25 -0.65 115.11 124.23 2ron h GLN 70 Ca 0.25 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 2ron h GLN 70 Cb 2.06 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 30.57 2ron h GLN 70 CO 0.62 0.13 -0.09 0.93 -2.65 0.00 0.00 178.83 177.77 2ron h GLU 71 N 0.20 -0.25 -1.59 1.69 5.08 -1.84 -3.45 114.58 114.42 2ron h GLU 71 Ca 0.61 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.95 2ron h GLU 71 Cb 1.93 0.06 -0.25 0.00 0.50 0.00 0.00 28.75 30.98 2ron h GLU 71 CO -0.19 0.15 -0.37 -0.51 -1.00 0.00 0.00 179.01 177.10 2ron s LEU 72 N -9.15 -0.97 -0.03 1.33 1.43 -0.27 -5.14 118.68 105.88 2ron s LEU 72 Ca -0.13 0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 53.37 2ron s LEU 72 Cb 0.01 1.63 -0.04 0.00 0.03 0.00 0.00 46.19 47.82 2ron s LEU 72 CO 0.51 -0.27 0.67 0.54 0.23 0.00 0.00 176.35 178.02 2ron s ASN 73 N 2.70 7.00 -0.02 2.29 2.20 -1.11 -4.81 114.94 123.19 2ron s ASN 73 Ca 0.14 1.20 -0.02 0.00 -0.94 0.00 0.00 52.86 53.24 2ron s ASN 73 Cb -0.15 -2.40 -0.01 0.00 -2.00 0.00 0.00 41.25 36.70 2ron s ASN 73 CO -0.18 -0.03 -0.04 0.18 -2.94 0.00 0.00 177.10 174.10 2ron n LEU 74 N 3.33 0.26 -3.55 3.54 4.77 -1.26 -5.10 117.00 118.99 2ron n LEU 74 Ca -0.03 0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2ron n LEU 74 Cb 0.51 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2ron n LEU 74 CO 0.46 -0.48 0.81 0.00 -1.33 0.00 0.00 177.39 176.85 2ron s ARG 75 N -1.22 0.60 0.00 3.23 1.70 -1.26 -5.18 118.95 116.82 2ron s ARG 75 Ca -0.03 -0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 2ron s ARG 75 Cb 0.00 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2ron s ARG 75 CO 0.04 -0.25 0.00 -0.35 -1.08 0.00 0.00 175.30 173.67 2ron n PRO 76 N 0.05 -0.50 -3.57 3.89 -0.04 -1.26 -5.02 135.00 128.55 2ron n PRO 76 Ca -0.06 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 2ron n PRO 76 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 2ron n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ron s ASP 77 N -1.51 6.54 -0.01 3.54 1.11 -1.26 -5.01 116.67 120.07 2ron s ASP 77 Ca 0.00 0.63 -0.25 0.00 0.18 0.00 0.00 52.55 53.12 2ron s ASP 77 Cb 0.00 -2.19 -0.18 0.00 1.07 0.00 0.00 42.92 41.63 2ron s ASP 77 CO 0.00 0.20 1.22 0.03 1.18 0.00 0.00 175.17 177.80 2ron h ARG 78 N 5.90 -0.19 -7.11 8.23 3.08 -1.93 -3.45 114.38 118.91 2ron h ARG 78 Ca -0.46 0.01 -0.50 0.00 0.07 0.00 0.00 59.98 59.10 2ron h ARG 78 Cb 1.19 0.04 0.08 0.00 0.08 0.00 0.00 29.97 31.36 2ron h ARG 78 CO 0.69 0.20 0.42 -1.25 -1.07 0.00 0.00 179.97 178.96 2ron s PRO 79 N -4.38 3.22 -0.29 0.04 0.04 -1.26 -4.36 135.00 128.00 2ron s PRO 79 Ca -0.15 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 2ron s PRO 79 Cb 0.02 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.70 2ron s PRO 79 CO 0.59 -0.95 0.95 0.12 0.04 0.00 0.00 177.00 177.76 2ron s PHE 80 N -1.91 -0.61 -0.08 0.56 2.19 -0.71 -3.22 117.98 114.19 2ron s PHE 80 Ca 0.71 1.25 0.00 0.00 0.33 0.00 0.00 56.93 59.23 2ron s PHE 80 Cb -0.23 0.38 0.02 0.00 -1.31 0.00 0.00 43.02 41.88 2ron s PHE 80 CO 0.31 -0.30 -0.06 0.14 1.83 0.00 0.00 175.22 177.13 2ron s VAL 81 N 1.20 0.80 -0.23 3.12 -7.23 -0.66 -3.74 120.40 113.66 2ron s VAL 81 Ca -0.07 -0.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.83 2ron s VAL 81 Cb -0.04 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 2ron s VAL 81 CO -0.14 0.31 0.04 -0.22 -0.31 0.00 0.00 175.10 174.78 2ron s LEU 82 N 1.36 3.40 -0.24 1.32 0.20 -1.23 -0.72 118.68 122.77 2ron s LEU 82 Ca -0.03 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.63 2ron s LEU 82 Cb -0.14 -1.89 0.06 0.00 -0.43 0.00 0.00 46.19 43.79 2ron s LEU 82 CO -0.03 0.02 -0.09 -0.36 -0.29 0.00 0.00 176.35 175.59 2ron s PHE 83 N 1.29 2.89 0.00 5.38 0.08 -0.22 -3.97 117.98 123.42 2ron s PHE 83 Ca 0.04 -2.05 0.00 0.00 0.12 0.00 0.00 56.93 55.04 2ron s PHE 83 Cb -0.15 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 2ron s PHE 83 CO 0.02 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.72 2ron n GLY 84 N 4.54 4.94 3.81 4.36 0.00 -1.26 -2.53 105.19 119.05 2ron n GLY 84 Ca -0.14 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 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 2.54 1.75 -0.38 1.61 -3.43 -1.26 -4.83 115.29 111.28 2ron s HIS 85 Ca 0.00 -0.94 0.07 0.00 -0.80 0.00 0.00 55.06 53.39 2ron s HIS 85 Cb 0.00 -1.69 0.57 0.00 -1.43 0.00 0.00 32.58 30.03 2ron s HIS 85 CO 0.00 0.01 1.59 0.43 -2.00 0.00 0.00 174.74 174.77 2ron n SER 86 N -1.43 4.09 -0.06 7.38 7.64 -1.26 -4.13 113.62 125.86 2ron n SER 86 Ca -0.15 -2.98 -0.06 0.00 1.01 0.00 0.00 58.87 56.69 2ron n SER 86 Cb 0.66 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 2ron n SER 86 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ron n MET 87 N -0.16 0.35 -3.64 1.43 2.81 -1.26 -5.06 117.12 111.59 2ron n MET 87 Ca 0.34 0.19 -0.03 0.00 -1.81 0.00 0.00 57.70 56.39 2ron n MET 87 Cb 1.20 -1.17 -0.04 0.00 -0.71 0.00 0.00 33.22 32.50 2ron n MET 87 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2ron s GLY 88 N -4.18 0.06 -0.39 3.03 0.00 -1.26 -5.09 107.32 99.49 2ron s GLY 88 Ca -0.18 2.75 0.06 0.00 0.00 0.00 0.00 44.72 47.36 2ron s GLY 88 CO 0.27 1.09 1.25 0.61 0.00 0.00 0.00 173.10 176.32 2ron n GLY 89 N 0.52 0.55 0.00 0.20 0.00 -1.26 -4.83 105.19 100.37 2ron n GLY 89 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ron n GLY 89 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ron n MET 90 N -0.33 0.00 -0.34 1.61 1.56 -1.26 -1.69 117.12 116.66 2ron n MET 90 Ca -0.07 0.32 0.09 0.00 -0.27 0.00 0.00 57.70 57.77 2ron n MET 90 Cb 0.77 -1.16 0.28 0.00 2.15 0.00 0.00 33.22 35.27 2ron n MET 90 CO 0.00 0.00 0.00 -0.84 -0.73 0.00 0.00 175.97 174.40 2ron h ILE 91 N 0.00 0.85 0.00 1.12 3.07 -1.97 0.17 117.51 120.75 2ron h ILE 91 Ca 0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 2ron h ILE 91 Cb 0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 36.82 36.44 2ron h ILE 91 CO 0.00 0.16 0.00 0.35 -1.05 0.00 0.00 178.15 177.61 2ron n THR 92 N -4.64 0.00 -0.29 0.16 -2.24 -1.25 -2.17 114.28 103.86 2ron n THR 92 Ca 0.20 1.27 0.16 0.00 -2.27 0.00 0.00 64.05 63.41 2ron n THR 92 Cb 0.43 -2.20 0.43 0.00 -2.10 0.00 0.00 70.33 66.89 2ron n THR 92 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2ron h PHE 93 N 0.00 0.76 -0.49 4.78 3.04 -1.26 -1.33 116.94 122.44 2ron h PHE 93 Ca 0.00 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.07 2ron h PHE 93 Cb 0.00 -0.23 -0.10 0.00 2.56 0.00 0.00 35.95 38.18 2ron h PHE 93 CO 0.04 0.20 -0.21 -0.09 -2.02 0.00 0.00 178.31 176.23 2ron h ARG 94 N 0.57 -0.10 -0.12 1.11 9.65 -0.56 0.34 114.38 125.27 2ron h ARG 94 Ca 0.50 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 59.32 2ron h ARG 94 Cb 1.02 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2ron h ARG 94 CO -0.25 -0.06 -0.20 -0.07 2.80 0.00 0.00 179.97 182.19 2ron h LEU 95 N -0.10 0.38 0.12 3.80 4.07 -0.76 -2.16 115.31 120.66 2ron h LEU 95 Ca 0.23 -0.53 -0.00 0.00 0.08 0.00 0.00 57.88 57.65 2ron h LEU 95 Cb 0.46 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2ron h LEU 95 CO -0.55 0.84 -0.15 0.00 -1.08 0.00 0.00 178.44 177.50 2ron h ALA 96 N 0.55 -0.82 -0.23 1.53 0.00 -0.67 0.26 119.26 119.88 2ron h ALA 96 Ca 0.01 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2ron h ALA 96 Cb 0.77 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2ron h ALA 96 CO 0.04 -0.84 -0.26 0.37 0.00 0.00 0.00 179.25 178.56 2ron h GLN 97 N -0.27 -0.27 0.01 0.00 5.75 -0.47 0.13 115.11 119.99 2ron h GLN 97 Ca -0.01 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2ron h GLN 97 Cb 0.24 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.81 2ron h GLN 97 CO -0.03 -0.18 -0.46 -0.22 -2.65 0.00 0.00 178.83 175.29 2ron h LYS 98 N -0.28 -0.56 -0.78 1.69 1.63 -1.30 -0.08 116.57 116.89 2ron h LYS 98 Ca 0.13 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.13 2ron h LYS 98 Cb 0.48 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.19 2ron h LYS 98 CO -0.39 -0.37 0.52 1.25 -3.45 0.00 0.00 179.45 177.01 2ron h LEU 99 N -0.58 0.38 0.31 5.20 7.12 -0.17 0.25 115.31 127.81 2ron h LEU 99 Ca 0.01 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 2ron h LEU 99 Cb 0.62 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2ron h LEU 99 CO -0.30 0.19 -0.15 -0.08 -0.13 0.00 0.00 178.44 177.97 2ron h GLU 100 N 0.40 -0.40 -0.78 1.25 4.22 0.92 0.27 114.58 120.45 2ron h GLU 100 Ca 0.39 0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.90 2ron h GLU 100 Cb 0.94 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 2ron h GLU 100 CO -0.13 -0.27 0.48 0.07 -2.18 0.00 0.00 179.01 176.99 2ron h ARG 101 N -0.46 0.89 0.00 1.92 0.11 -0.82 0.83 114.38 116.85 2ron h ARG 101 Ca -0.04 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2ron h ARG 101 Cb 0.32 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.20 2ron h ARG 101 CO 0.07 0.59 0.00 0.93 0.10 0.00 0.00 179.97 181.66 2ron h GLU 102 N 0.91 0.00 0.03 0.08 4.39 -0.53 -2.89 114.58 116.57 2ron h GLU 102 Ca 0.33 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.71 2ron h GLU 102 Cb 0.10 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2ron h GLU 102 CO -0.14 0.00 -1.82 0.41 -1.16 0.00 0.00 179.01 176.29 2ron n GLY 103 N -0.20 -0.87 3.49 -3.84 0.00 0.93 -4.95 105.19 99.75 2ron n GLY 103 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2ron n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ron s ILE 104 N -2.58 -0.31 0.01 -0.61 2.07 0.08 -4.91 121.20 114.95 2ron s ILE 104 Ca -0.10 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.89 2ron s ILE 104 Cb 0.08 -1.00 -0.16 0.00 0.13 0.00 0.00 42.46 41.51 2ron s ILE 104 CO 0.81 0.00 1.19 0.15 -1.91 0.00 0.00 174.94 175.18 2ron h PHE 105 N 6.93 -0.56 -1.59 3.50 3.04 -1.82 -3.39 116.94 123.05 2ron h PHE 105 Ca -0.20 -0.01 -0.44 0.00 3.98 0.00 0.00 57.97 61.30 2ron h PHE 105 Cb 1.14 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.80 2ron h PHE 105 CO 0.17 -0.23 1.17 -1.25 -2.02 0.00 0.00 178.31 176.14 2ron s PRO 106 N -4.68 2.60 -0.18 6.41 0.04 -1.26 -4.96 135.00 132.96 2ron s PRO 106 Ca -0.14 0.33 -0.06 0.00 0.04 0.00 0.00 61.00 61.18 2ron s PRO 106 Cb 0.02 -4.60 -0.03 0.00 0.04 0.00 0.00 34.50 29.93 2ron s PRO 106 CO 0.50 -2.93 0.01 -0.65 0.04 0.00 0.00 177.00 173.97 2ron s GLN 107 N 7.04 3.77 0.00 4.56 -0.21 -1.26 -4.80 119.66 128.75 2ron s GLN 107 Ca 0.68 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.61 2ron s GLN 107 Cb -0.11 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.82 2ron s GLN 107 CO 0.14 0.18 0.36 0.00 -2.12 0.00 0.00 175.29 173.85 2ron n ALA 108 N 3.77 -0.11 -2.82 6.09 0.00 -1.26 -4.83 120.51 121.35 2ron n ALA 108 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.91 2ron n ALA 108 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.14 5.25 -0.12 0.00 -7.23 -1.26 -3.38 120.40 112.52 2ron s VAL 109 Ca 0.00 0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 60.22 2ron s VAL 109 Cb 0.00 -3.31 0.05 0.00 0.56 0.00 0.00 36.38 33.68 2ron s VAL 109 CO 0.00 0.57 0.29 -0.63 -0.31 0.00 0.00 175.10 175.01 2ron s ILE 110 N -0.60 -0.03 -0.07 -0.62 -1.09 -0.61 -1.74 121.20 116.43 2ron s ILE 110 Ca 0.12 0.11 0.04 0.00 -2.23 0.00 0.00 60.65 58.69 2ron s ILE 110 Cb -0.12 -0.43 0.00 0.00 -1.58 0.00 0.00 42.46 40.33 2ron s ILE 110 CO 0.02 0.05 -0.20 -0.51 -1.23 0.00 0.00 174.94 173.07 2ron s ILE 111 N 1.12 1.71 -0.23 2.92 -1.16 -1.25 -3.03 121.20 121.28 2ron s ILE 111 Ca -0.08 -0.84 -0.06 0.00 -0.51 0.00 0.00 60.65 59.16 2ron s ILE 111 Cb -0.09 -1.49 -0.02 0.00 0.61 0.00 0.00 42.46 41.47 2ron s ILE 111 CO -0.08 0.48 0.03 -0.44 -2.81 0.00 0.00 174.94 172.12 2ron s SER 112 N 0.29 4.92 0.47 4.50 0.01 -1.09 -3.51 113.70 119.29 2ron s SER 112 Ca -0.13 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 56.93 2ron s SER 112 Cb -0.16 -1.87 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 2ron s SER 112 CO 0.06 -0.00 0.07 0.00 0.41 0.00 0.00 173.24 173.78 2ron s ALA 113 N 1.40 3.60 -1.30 1.44 0.00 -1.25 -3.56 121.76 122.08 2ron s ALA 113 Ca 0.05 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 2ron s ALA 113 Cb -0.15 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.36 2ron s ALA 113 CO 0.02 -0.18 0.63 -0.89 0.00 0.00 0.00 175.76 175.34 2ron n ILE 114 N -1.12 -4.42 -3.43 0.00 5.41 -1.26 -4.76 119.36 109.79 2ron n ILE 114 Ca -0.13 -0.61 -0.43 0.00 1.00 0.00 0.00 62.75 62.58 2ron n ILE 114 Cb 0.66 -3.61 -0.07 0.00 -0.71 0.00 0.00 39.64 35.91 2ron n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ron s GLN 115 N -6.11 2.77 0.97 0.38 -2.07 -1.26 -4.57 119.66 109.77 2ron s GLN 115 Ca 0.09 -1.78 -0.12 0.00 -1.82 0.00 0.00 55.36 51.73 2ron s GLN 115 Cb -0.03 -4.12 0.17 0.00 -1.09 0.00 0.00 33.01 27.94 2ron s GLN 115 CO 0.84 -1.26 1.09 -1.25 -1.32 0.00 0.00 175.29 173.39 2ron s PRO 116 N 1.40 0.70 -1.08 9.60 0.04 -1.26 -3.28 135.00 141.11 2ron s PRO 116 Ca 0.05 0.62 -0.23 0.00 0.04 0.00 0.00 61.00 61.48 2ron s PRO 116 Cb -0.27 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2ron s PRO 116 CO 0.01 -2.57 1.94 -1.25 0.04 0.00 0.00 177.00 175.16 2ron s PRO 117 N -4.95 2.51 -0.28 0.56 0.04 -1.26 -4.77 135.00 126.85 2ron s PRO 117 Ca 0.65 -0.85 -0.18 0.00 0.04 0.00 0.00 61.00 60.66 2ron s PRO 117 Cb -0.18 -5.18 0.08 0.00 0.04 0.00 0.00 34.50 29.26 2ron s PRO 117 CO 0.57 -3.78 0.70 -3.38 0.04 0.00 0.00 177.00 171.15 2ron s HIS 118 N 10.73 -1.00 0.02 0.56 -3.43 -1.26 -4.21 115.29 116.69 2ron s HIS 118 Ca 0.69 2.09 -0.02 0.00 -0.80 0.00 0.00 55.06 57.02 2ron s HIS 118 Cb -0.03 0.55 -0.02 0.00 -1.43 0.00 0.00 32.58 31.66 2ron s HIS 118 CO 0.08 -0.49 0.02 0.96 -2.00 0.00 0.00 174.74 173.31 2ron s ILE 119 N 1.35 0.11 0.03 -5.38 -0.00 -1.26 -4.44 121.20 111.61 2ron s ILE 119 Ca -0.08 -0.92 -0.30 0.00 -0.00 0.00 0.00 60.65 59.35 2ron s ILE 119 Cb -0.05 -0.41 -0.05 0.00 -0.00 0.00 0.00 42.46 41.95 2ron s ILE 119 CO -0.15 -0.51 1.14 -1.58 -0.00 0.00 0.00 174.94 173.84 2ron s GLN 120 N -1.66 4.46 -0.18 0.37 2.00 -1.26 -4.55 119.66 118.84 2ron s GLN 120 Ca -0.14 1.66 -0.31 0.00 -2.00 0.00 0.00 55.36 54.57 2ron s GLN 120 Cb -0.08 -3.40 -0.09 0.00 0.80 0.00 0.00 33.01 30.24 2ron s GLN 120 CO -0.01 -0.22 2.10 -2.13 -0.50 0.00 0.00 175.29 174.53 2ron n ARG 121 N 4.07 1.95 -4.31 1.67 0.63 -1.26 -4.95 116.66 114.46 2ron n ARG 121 Ca 0.08 0.62 -0.17 0.00 -0.92 0.00 0.00 57.85 57.47 2ron n ARG 121 Cb 0.48 -2.89 -0.10 0.00 0.45 0.00 0.00 32.46 30.40 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 5.49 1.29 -0.79 -0.14 1.02 -1.26 -5.06 119.74 120.29 2ron s LYS 122 Ca 0.99 -1.63 -0.26 0.00 0.02 0.00 0.00 55.97 55.09 2ron s LYS 122 Cb -0.55 -0.62 -0.09 0.00 -0.52 0.00 0.00 37.83 36.05 2ron s LYS 122 CO 0.43 -0.06 2.20 -1.59 -0.92 0.00 0.00 175.35 175.42 2ron s LYS 123 N -3.84 2.07 -0.08 1.68 -2.85 -1.26 -4.88 119.74 110.58 2ron s LYS 123 Ca 0.26 0.32 -0.09 0.00 -1.00 0.00 0.00 55.97 55.46 2ron s LYS 123 Cb 0.05 -4.83 0.02 0.00 -2.06 0.00 0.00 37.83 31.01 2ron s LYS 123 CO 0.07 -3.82 0.24 0.08 0.10 0.00 0.00 175.35 172.02 2ron s VAL 124 N 12.43 0.01 -0.08 1.79 1.01 -1.26 -5.04 120.40 129.27 2ron s VAL 124 Ca 0.83 -0.10 0.14 0.00 0.00 0.00 0.00 61.98 62.85 2ron s VAL 124 Cb -0.11 -0.38 0.28 0.00 0.00 0.00 0.00 36.38 36.17 2ron s VAL 124 CO 0.08 -0.06 1.13 -0.24 0.00 0.00 0.00 175.10 176.01 2ron n SER 125 N 2.67 1.18 0.27 3.32 2.88 -1.26 -4.54 113.62 118.15 2ron n SER 125 Ca -0.14 -2.67 0.18 0.00 -1.33 0.00 0.00 58.87 54.90 2ron n SER 125 Cb 0.58 -0.35 0.94 0.00 -0.75 0.00 0.00 64.21 64.62 2ron n SER 125 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2ron h HIS 126 N 0.51 0.00 -3.90 0.66 2.07 -2.00 -3.43 115.15 109.06 2ron h HIS 126 Ca -0.06 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.36 2ron h HIS 126 Cb 1.36 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.19 2ron h HIS 126 CO 0.25 0.00 -0.46 -0.51 -3.07 0.00 0.00 177.93 174.14 2ron s LEU 127 N -7.18 1.72 0.50 6.12 1.43 -1.26 -5.04 118.68 114.97 2ron s LEU 127 Ca -0.05 -0.71 0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2ron s LEU 127 Cb 0.14 0.78 1.22 0.00 0.03 0.00 0.00 46.19 48.36 2ron s LEU 127 CO 0.50 -0.66 1.94 1.55 0.23 0.00 0.00 176.35 179.90 2ron h PRO 128 N 2.99 0.00 -0.31 1.29 0.13 -1.98 -2.84 132.00 131.28 2ron h PRO 128 Ca -0.34 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.67 2ron h PRO 128 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2ron h PRO 128 CO 0.57 0.12 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.17 2ron n ASP 129 N -3.30 2.94 0.00 1.44 8.00 -1.26 -4.79 116.55 119.58 2ron n ASP 129 Ca -0.00 -3.50 0.00 0.00 0.71 0.00 0.00 54.79 52.00 2ron n ASP 129 Cb 0.34 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 2ron n ASP 129 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ron n ASP 130 N -0.95 0.00 -0.28 -2.24 2.03 -1.07 -1.28 116.55 112.76 2ron n ASP 130 Ca 0.29 0.86 0.14 0.00 0.52 0.00 0.00 54.79 56.60 2ron n ASP 130 Cb 0.98 -0.39 0.40 0.00 -0.72 0.00 0.00 41.12 41.39 2ron n ASP 130 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2ron h GLN 131 N 0.00 0.61 0.00 -0.67 3.07 -1.84 0.25 115.11 116.54 2ron h GLN 131 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2ron h GLN 131 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.42 2ron h GLN 131 CO 0.00 0.41 0.00 1.19 0.09 0.00 0.00 178.83 180.52 2ron n PHE 132 N -4.58 0.00 0.26 0.06 3.01 -1.20 -1.92 117.46 113.09 2ron n PHE 132 Ca 0.19 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.82 2ron n PHE 132 Cb 0.55 -0.43 0.90 0.00 -0.01 0.00 0.00 39.48 40.49 2ron n PHE 132 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 2ron h LEU 133 N 0.00 0.00 -0.59 4.37 8.10 -1.02 -0.78 115.31 125.39 2ron h LEU 133 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.87 2ron h LEU 133 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2ron h LEU 133 CO 0.00 0.00 -0.22 0.44 -4.11 0.00 0.00 178.44 174.55 2ron h ASP 134 N 0.00 0.91 0.31 0.17 5.19 -0.15 0.28 116.42 123.12 2ron h ASP 134 Ca 0.00 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 2ron h ASP 134 Cb 0.04 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.31 2ron h ASP 134 CO 0.00 1.09 -1.25 0.00 -3.12 0.00 0.00 179.24 175.96 2ron n HIS 135 N -4.11 0.22 0.01 4.55 1.44 -0.62 -4.06 115.22 112.64 2ron n HIS 135 Ca 0.00 0.06 -0.16 0.00 -2.01 0.00 0.00 57.72 55.62 2ron n HIS 135 Cb 0.45 -0.43 -0.14 0.00 0.12 0.00 0.00 29.99 29.99 2ron n HIS 135 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 2ron h ILE 136 N 0.00 0.80 -7.03 0.61 2.04 -1.11 -3.41 117.51 109.42 2ron h ILE 136 Ca 0.00 -2.55 -0.58 0.00 1.00 0.00 0.00 64.86 62.73 2ron h ILE 136 Cb 0.78 2.52 -0.36 0.00 -0.74 0.00 0.00 36.82 39.02 2ron h ILE 136 CO 0.00 0.74 -0.84 2.30 0.00 0.00 0.00 178.15 180.35 2ron n ILE 137 N -3.32 0.00 -0.04 -0.67 -5.35 0.96 -3.31 119.36 107.63 2ron n ILE 137 Ca -0.24 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.22 2ron n ILE 137 Cb 1.05 -0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 38.48 2ron n ILE 137 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2ron n GLN 138 N -3.93 0.24 -3.75 6.28 7.27 -1.26 -4.60 117.38 117.64 2ron n GLN 138 Ca 0.11 0.35 -0.25 0.00 0.07 0.00 0.00 57.00 57.28 2ron n GLN 138 Cb 0.45 -1.21 0.02 0.00 2.41 0.00 0.00 30.24 31.91 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ron n LEU 139 N -3.51 -2.89 -0.03 1.69 7.99 -1.26 -0.86 117.00 118.12 2ron n LEU 139 Ca -0.04 -0.93 -0.00 0.00 -0.01 0.00 0.00 56.01 55.02 2ron n LEU 139 Cb 0.16 -2.47 -0.00 0.00 -0.11 0.00 0.00 43.42 40.99 2ron n LEU 139 CO 0.06 0.42 -0.00 0.61 -1.51 0.00 0.00 177.39 176.97 2ron n GLY 140 N -1.71 0.47 0.00 -0.72 0.00 -1.26 -4.90 105.19 97.06 2ron n GLY 140 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2ron n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 141 N -2.60 0.55 3.30 -0.02 0.00 -0.04 -5.09 105.19 101.29 2ron n GLY 141 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.21 0.93 0.40 1.61 -1.94 -1.26 -5.03 119.30 115.22 2ron s MET 142 Ca 0.00 -0.48 -0.25 0.00 -1.71 0.00 0.00 55.69 53.24 2ron s MET 142 Cb 0.00 0.41 -0.08 0.00 2.01 0.00 0.00 34.83 37.16 2ron s MET 142 CO 0.00 -0.32 1.19 -1.25 -0.01 0.00 0.00 175.02 174.62 2ron s PRO 143 N -2.81 4.03 -0.30 2.03 0.04 -1.26 -4.00 135.00 132.73 2ron s PRO 143 Ca -0.03 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 2ron s PRO 143 Cb -0.00 -2.68 0.16 0.00 0.04 0.00 0.00 34.50 32.02 2ron s PRO 143 CO -0.05 -0.35 0.99 0.00 0.04 0.00 0.00 177.00 177.63 2ron s ALA 144 N -1.39 -2.52 0.00 8.56 0.00 -1.21 -5.04 121.76 120.15 2ron s ALA 144 Ca 0.57 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.65 2ron s ALA 144 Cb -0.32 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2ron s ALA 144 CO 0.40 -0.67 0.00 0.39 0.00 0.00 0.00 175.76 175.88 2ron n GLU 145 N 4.36 2.46 -0.52 0.00 1.02 -1.26 -4.57 120.64 122.12 2ron n GLU 145 Ca -0.13 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.09 2ron n GLU 145 Cb 0.55 -0.68 0.31 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.83 4.36 0.00 -4.62 -0.00 -1.26 -4.28 117.00 110.36 2ron n LEU 146 Ca 0.00 -2.45 0.00 0.00 -0.00 0.00 0.00 56.01 53.56 2ron n LEU 146 Cb 0.10 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 2ron n LEU 146 CO 0.00 0.79 -0.44 1.33 -0.00 0.00 0.00 177.39 179.07 2ron n VAL 147 N 0.82 0.00 0.14 1.47 0.24 -1.26 -4.67 118.33 115.07 2ron n VAL 147 Ca 0.23 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.72 2ron n VAL 147 Cb 0.82 -0.07 0.76 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 0.19 7.34 4.11 -1.84 -2.56 114.58 121.83 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 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2ron h GLU 148 CO 0.00 0.00 -0.28 -0.91 0.07 0.00 0.00 179.01 177.89 2ron h ASN 149 N 0.00 -0.81 -0.03 3.06 4.21 -1.84 0.14 115.58 120.31 2ron h ASN 149 Ca 0.16 0.07 0.01 0.00 1.21 0.00 0.00 56.30 57.75 2ron h ASN 149 Cb 0.97 0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2ron h ASN 149 CO -0.00 -0.34 0.04 0.07 -1.29 0.00 0.00 177.43 175.90 2ron h LYS 150 N -0.49 0.00 -0.21 0.81 2.10 -1.81 -1.13 116.57 115.84 2ron h LYS 150 Ca -0.02 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.45 2ron h LYS 150 Cb 0.45 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2ron h LYS 150 CO -0.09 0.00 -0.57 0.93 -2.00 0.00 0.00 179.45 177.72 2ron h GLU 151 N 0.00 0.67 0.00 0.07 5.08 -1.16 0.68 114.58 119.92 2ron h GLU 151 Ca 0.01 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 2ron h GLU 151 Cb 0.08 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ron h GLU 151 CO -0.00 1.06 -0.42 0.28 -1.00 0.00 0.00 179.01 178.92 2ron h VAL 152 N 0.51 0.94 -0.02 3.13 2.07 0.51 0.50 116.25 123.90 2ron h VAL 152 Ca 0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.83 2ron h VAL 152 Cb 1.15 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2ron h VAL 152 CO 0.11 0.42 -0.37 0.23 0.02 0.00 0.00 177.57 177.98 2ron n MET 153 N -3.51 1.27 0.00 1.57 2.81 -0.97 -4.18 117.12 114.09 2ron n MET 153 Ca -0.00 -0.99 0.00 0.00 -1.81 0.00 0.00 57.70 54.90 2ron n MET 153 Cb 0.55 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 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 0.00 0.00 -0.07 7.83 7.64 0.22 -4.51 113.62 124.73 2ron n SER 154 Ca 0.11 0.00 0.25 0.00 1.01 0.00 0.00 58.87 60.24 2ron n SER 154 Cb 0.46 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.35 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 -4.63 1.43 0.04 -0.29 -3.41 116.94 110.08 2ron h PHE 155 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2ron h PHE 155 Cb 0.00 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.20 2ron h PHE 155 CO 0.00 0.00 -0.22 0.34 -0.60 0.00 0.00 178.31 177.83 2ron n PHE 156 N -3.80 -1.89 -0.92 -0.55 -0.00 0.62 -3.98 117.46 106.93 2ron n PHE 156 Ca 0.15 0.70 -0.34 0.00 -0.00 0.00 0.00 57.45 57.95 2ron n PHE 156 Cb 0.92 -3.40 0.09 0.00 -0.00 0.00 0.00 39.48 37.09 2ron n PHE 156 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 2ron n LEU 157 N -1.96 -1.98 0.13 -2.13 -0.00 -1.25 -4.59 117.00 105.23 2ron n LEU 157 Ca -0.02 0.32 -0.01 0.00 -0.00 0.00 0.00 56.01 56.31 2ron n LEU 157 Cb 0.53 -1.06 0.24 0.00 -0.00 0.00 0.00 43.42 43.13 2ron n LEU 157 CO 0.37 -4.35 0.61 1.55 -0.00 0.00 0.00 177.39 175.57 2ron h PRO 158 N -1.22 0.09 -5.65 1.47 0.13 -1.86 -3.43 132.00 121.54 2ron h PRO 158 Ca -0.44 -0.05 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 2ron h PRO 158 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ron h PRO 158 CO 0.32 0.55 1.61 -1.13 -0.23 0.00 0.00 178.00 179.13 2ron n SER 159 N -3.97 2.33 0.14 1.44 3.41 -1.26 -4.78 113.62 110.93 2ron n SER 159 Ca -0.02 -0.31 0.02 0.00 -0.26 0.00 0.00 58.87 58.31 2ron n SER 159 Cb 0.51 -1.52 0.09 0.00 -0.26 0.00 0.00 64.21 63.03 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2ron h PHE 160 N 18.04 0.00 0.19 7.33 0.04 -1.92 -2.70 116.94 137.92 2ron h PHE 160 Ca -0.26 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.51 2ron h PHE 160 Cb 1.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.42 2ron h PHE 160 CO 0.97 0.53 -0.14 0.00 -0.60 0.00 0.00 178.31 179.06 2ron h ARG 161 N 0.00 -0.30 -0.26 1.51 -0.00 -1.95 0.39 114.38 113.77 2ron h ARG 161 Ca -0.01 0.02 -0.09 0.00 -0.50 0.00 0.00 59.98 59.41 2ron h ARG 161 Cb 1.30 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 31.32 2ron h ARG 161 CO 0.07 -0.20 -0.21 1.03 0.00 0.00 0.00 179.97 180.66 2ron h SER 162 N -0.31 0.47 0.49 7.04 0.87 -1.96 -2.22 113.55 117.93 2ron h SER 162 Ca -0.02 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2ron h SER 162 Cb 0.26 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2ron h SER 162 CO 0.01 0.69 -0.24 -0.78 -0.53 0.00 0.00 176.83 175.98 2ron h ASP 163 N 0.43 -0.56 -0.87 6.23 3.58 -1.40 0.40 116.42 124.24 2ron h ASP 163 Ca 0.07 0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.69 2ron h ASP 163 Cb 0.60 0.15 -0.10 0.00 1.72 0.00 0.00 39.33 41.70 2ron h ASP 163 CO 0.04 -0.38 0.45 1.88 -2.88 0.00 0.00 179.24 178.36 2ron h TYR 164 N -0.70 0.80 0.00 0.28 -1.99 -0.26 0.35 116.97 115.44 2ron h TYR 164 Ca -0.07 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.63 2ron h TYR 164 Cb 0.51 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 2ron h TYR 164 CO 0.10 0.19 -0.30 -0.09 -0.00 0.00 0.00 178.16 178.06 2ron h ARG 165 N 0.64 0.00 0.00 4.88 1.12 -1.34 0.68 114.38 120.35 2ron h ARG 165 Ca 0.47 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.34 2ron h ARG 165 Cb 0.67 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 2ron h ARG 165 CO -0.36 0.30 -0.46 0.00 -3.11 0.00 0.00 179.97 176.33 2ron h ALA 166 N 1.70 0.73 -0.00 2.80 0.00 0.35 0.35 119.26 125.19 2ron h ALA 166 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ron h ALA 166 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ron h ALA 166 CO 0.04 0.00 -0.23 1.28 0.00 0.00 0.00 179.25 180.34 2ron n LEU 167 N -2.43 0.85 0.00 0.00 7.99 0.52 -4.74 117.00 119.20 2ron n LEU 167 Ca 0.03 -0.68 0.00 0.00 -0.01 0.00 0.00 56.01 55.35 2ron n LEU 167 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2ron n LEU 167 CO 0.35 0.18 -0.21 -0.62 -1.51 0.00 0.00 177.39 175.58 2ron n GLU 168 N -0.58 0.32 -2.34 3.23 1.02 0.23 -5.03 120.64 117.50 2ron n GLU 168 Ca 0.03 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 2ron n GLU 168 Cb 0.15 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 30.84 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2ron n GLN 169 N -1.78 -1.67 0.00 3.49 6.02 0.12 -4.79 117.38 118.77 2ron n GLN 169 Ca 0.00 1.03 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 2ron n GLN 169 Cb 0.21 -5.68 0.00 0.00 1.02 0.00 0.00 30.24 25.80 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 -3.88 0.00 -0.97 1.08 3.72 -1.26 -5.06 117.46 111.09 2ron n PHE 170 Ca -0.25 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.81 2ron n PHE 170 Cb 0.69 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.32 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 -1.65 -0.07 -4.27 -1.08 4.71 -1.26 -5.03 120.64 111.99 2ron n GLU 171 Ca 0.00 0.02 -0.19 0.00 -0.01 0.00 0.00 57.16 56.98 2ron n GLU 171 Cb 0.32 -1.72 -0.08 0.00 -1.01 0.00 0.00 31.44 28.94 2ron n GLU 171 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ron s LEU 172 N 0.43 1.70 0.55 -4.62 1.43 -1.26 -4.92 118.68 112.00 2ron s LEU 172 Ca 0.57 -1.74 0.25 0.00 -1.03 0.00 0.00 54.13 52.19 2ron s LEU 172 Cb -0.25 0.59 1.47 0.00 0.03 0.00 0.00 46.19 48.03 2ron s LEU 172 CO 0.67 -1.07 2.04 0.10 0.23 0.00 0.00 176.35 178.32 2ron h TYR 173 N 2.15 0.00 -2.14 0.29 -0.00 -2.01 -3.33 116.97 111.93 2ron h TYR 173 Ca -0.25 0.00 -0.66 0.00 -0.00 0.00 0.00 58.73 57.82 2ron h TYR 173 Cb 1.23 0.00 -0.15 0.00 -0.00 0.00 0.00 36.73 37.81 2ron h TYR 173 CO 1.67 0.00 0.95 0.16 -0.00 0.00 0.00 178.16 180.94 2ron s ASP 174 N -6.11 6.52 0.00 0.10 -4.77 -1.26 -4.66 116.67 106.49 2ron s ASP 174 Ca -0.05 -1.70 0.00 0.00 -3.30 0.00 0.00 52.55 47.50 2ron s ASP 174 Cb 0.18 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.56 2ron s ASP 174 CO 0.65 -1.24 0.09 0.00 0.70 0.00 0.00 175.17 175.36 2ron n LEU 175 N 7.34 0.18 -4.64 2.11 -0.00 -1.25 -5.06 117.00 115.67 2ron n LEU 175 Ca 0.21 -0.55 -0.29 0.00 -0.00 0.00 0.00 56.01 55.39 2ron n LEU 175 Cb 0.49 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.10 2ron n LEU 175 CO 0.57 0.04 0.62 0.00 -0.00 0.00 0.00 177.39 178.62 2ron s ALA 176 N -0.74 0.69 -1.09 1.47 0.00 -1.26 -4.26 121.76 116.58 2ron s ALA 176 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 2ron s ALA 176 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2ron s ALA 176 CO 0.00 -3.02 0.91 1.04 0.00 0.00 0.00 175.76 174.69 2ron n GLN 177 N -4.32 -2.84 -3.71 0.00 6.02 -1.18 -4.98 117.38 106.36 2ron n GLN 177 Ca 0.05 0.82 -0.17 0.00 -0.01 0.00 0.00 57.00 57.69 2ron n GLN 177 Cb 0.57 -5.68 -0.16 0.00 1.02 0.00 0.00 30.24 25.99 2ron n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ron s ILE 178 N -3.40 -0.11 -0.29 5.09 -1.09 -1.26 -5.06 121.20 115.07 2ron s ILE 178 Ca 0.38 0.31 -0.15 0.00 -2.23 0.00 0.00 60.65 58.96 2ron s ILE 178 Cb -0.06 -0.17 0.15 0.00 -1.58 0.00 0.00 42.46 40.80 2ron s ILE 178 CO 0.75 0.13 0.93 0.00 -1.23 0.00 0.00 174.94 175.52 2ron s GLN 179 N 1.69 0.38 0.09 2.79 -2.07 -1.26 -2.98 119.66 118.30 2ron s GLN 179 Ca -0.02 0.80 0.00 0.00 -1.82 0.00 0.00 55.36 54.32 2ron s GLN 179 Cb -0.12 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.12 2ron s GLN 179 CO -0.04 -0.11 0.00 -1.13 -1.32 0.00 0.00 175.29 172.69 2ron n SER 180 N 4.49 -0.84 -3.05 12.60 3.41 -1.26 -4.73 113.62 124.24 2ron n SER 180 Ca -0.14 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 2ron n SER 180 Cb 0.55 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ron n PRO 181 N -2.82 0.06 -4.14 4.33 -0.04 -1.26 -3.89 135.00 127.25 2ron n PRO 181 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 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 -0.47 1.83 -0.12 0.52 1.01 -1.22 -2.59 120.40 119.36 2ron s VAL 182 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2ron s VAL 182 Cb 0.00 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.76 2ron s VAL 182 CO 0.00 0.50 0.08 -1.00 0.00 0.00 0.00 175.10 174.68 2ron s HIS 183 N 1.32 0.18 -0.04 5.22 3.76 -0.73 -1.57 115.29 123.44 2ron s HIS 183 Ca 0.04 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2ron s HIS 183 Cb -0.13 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 2ron s HIS 183 CO -0.11 -0.40 -0.05 0.08 -0.85 0.00 0.00 174.74 173.42 2ron s VAL 184 N 2.14 3.85 0.15 -0.90 1.01 -1.17 -3.68 120.40 121.80 2ron s VAL 184 Ca 0.03 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2ron s VAL 184 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2ron s VAL 184 CO -0.07 0.51 -0.21 -0.36 0.00 0.00 0.00 175.10 174.97 2ron s PHE 185 N -0.92 1.93 0.37 5.22 0.08 0.83 -2.69 117.98 122.80 2ron s PHE 185 Ca 0.15 -0.43 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 2ron s PHE 185 Cb -0.11 -0.99 0.06 0.00 -0.57 0.00 0.00 43.02 41.40 2ron s PHE 185 CO 0.05 0.32 0.82 0.54 -0.10 0.00 0.00 175.22 176.85 2ron s ASN 186 N -2.40 0.01 0.35 1.36 4.22 -1.23 -2.55 114.94 114.71 2ron s ASN 186 Ca 0.14 -1.11 0.00 0.00 -2.14 0.00 0.00 52.86 49.75 2ron s ASN 186 Cb -0.08 0.82 0.00 0.00 1.28 0.00 0.00 41.25 43.27 2ron s ASN 186 CO 0.06 -1.63 0.00 0.61 -2.04 0.00 0.00 177.10 174.11 2ron n GLY 187 N -0.55 1.06 4.48 0.45 0.00 0.01 -4.57 105.19 106.07 2ron n GLY 187 Ca -0.08 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.97 0.18 0.99 -0.00 -1.21 -2.97 117.00 113.03 2ron n LEU 188 Ca 0.00 -1.22 0.13 0.00 -0.00 0.00 0.00 56.01 54.92 2ron n LEU 188 Cb 0.00 -1.67 0.64 0.00 -0.00 0.00 0.00 43.42 42.39 2ron n LEU 188 CO 0.00 0.16 0.88 0.44 -0.00 0.00 0.00 177.39 178.88 2ron h ASP 189 N -1.05 0.00 0.00 1.45 5.19 -1.89 -3.23 116.42 116.89 2ron h ASP 189 Ca -0.60 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 2ron h ASP 189 Cb 1.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.90 2ron h ASP 189 CO 0.86 0.00 -0.05 -0.67 -3.12 0.00 0.00 179.24 176.26 2ron n ASP 190 N -2.38 0.18 -4.93 6.45 -0.08 -1.26 0.06 116.55 114.59 2ron n ASP 190 Ca -0.01 0.29 -0.28 0.00 -1.51 0.00 0.00 54.79 53.28 2ron n ASP 190 Cb 0.10 -0.54 -0.03 0.00 2.34 0.00 0.00 41.12 42.99 2ron n ASP 190 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2ron s LYS 191 N -1.13 3.42 0.00 -0.67 2.20 -1.22 -3.50 119.74 118.85 2ron s LYS 191 Ca -0.01 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 2ron s LYS 191 Cb 0.00 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 2ron s LYS 191 CO 0.02 0.55 0.00 1.63 -0.36 0.00 0.00 175.35 177.19 2ron n LYS 192 N -0.24 0.12 -0.37 4.03 5.02 -1.26 -4.69 118.16 120.76 2ron n LYS 192 Ca -0.06 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 2ron n LYS 192 Cb 0.53 -0.72 0.17 0.00 -0.02 0.00 0.00 35.03 34.99 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ron h ILE 194 N 1.18 1.11 0.04 0.00 -0.00 -1.99 -0.72 117.51 117.13 2ron h ILE 194 Ca 0.42 -0.40 -0.00 0.00 -0.00 0.00 0.00 64.86 64.89 2ron h ILE 194 Cb 0.14 0.91 0.00 0.00 -0.00 0.00 0.00 36.82 37.87 2ron h ILE 194 CO -0.17 0.14 -0.02 -0.09 -0.00 0.00 0.00 178.15 178.01 2ron h ARG 195 N 0.30 -0.06 -0.43 2.19 1.12 -1.48 -2.00 114.38 114.03 2ron h ARG 195 Ca 0.07 0.00 0.12 0.00 -1.11 0.00 0.00 59.98 59.07 2ron h ARG 195 Cb 0.14 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 2ron h ARG 195 CO -0.00 -0.04 0.33 0.22 -3.11 0.00 0.00 179.97 177.37 2ron h ASP 196 N -0.07 0.00 0.62 -3.80 3.58 -1.54 0.47 116.42 115.68 2ron h ASP 196 Ca -0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2ron h ASP 196 Cb 0.04 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.10 2ron h ASP 196 CO 0.01 0.00 -0.30 0.00 -2.88 0.00 0.00 179.24 176.07 2ron h ALA 197 N 1.75 -1.17 -0.00 -0.78 0.00 -1.06 0.24 119.26 118.24 2ron h ALA 197 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ron h ALA 197 Cb 0.85 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ron h ALA 197 CO -0.00 -1.11 -0.01 -0.85 0.00 0.00 0.00 179.25 177.28 2ron n GLU 198 N -4.31 0.99 -0.04 0.00 0.28 -0.76 -1.90 120.64 114.90 2ron n GLU 198 Ca -0.10 -0.13 0.02 0.00 -0.16 0.00 0.00 57.16 56.79 2ron n GLU 198 Cb 0.33 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.54 2ron n GLU 198 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ron n GLY 199 N 1.07 -1.02 0.01 -1.84 0.00 0.16 -4.43 105.19 99.14 2ron n GLY 199 Ca 0.22 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.89 2ron n GLY 199 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2ron n TRP 200 N -2.51 0.00 -0.24 1.61 -0.00 0.84 -4.35 117.44 112.79 2ron n TRP 200 Ca -0.16 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.51 2ron n TRP 200 Cb 0.83 -0.27 0.47 0.00 -0.00 0.00 0.00 31.31 32.33 2ron n TRP 200 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2ron h LYS 201 N 0.00 0.47 0.00 5.87 5.09 -1.54 0.28 116.57 126.75 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 0.61 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.84 2ron h LYS 201 CO 0.00 0.31 -0.77 1.57 -2.09 0.00 0.00 179.45 178.47 2ron h LYS 202 N 0.49 0.00 -2.18 0.07 2.10 -1.82 -3.48 116.57 111.75 2ron h LYS 202 Ca 0.46 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.77 2ron h LYS 202 Cb 1.02 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.26 2ron h LYS 202 CO -0.19 0.00 -0.36 0.91 -2.00 0.00 0.00 179.45 177.81 2ron n TRP 203 N -2.20 -0.65 -3.56 0.07 7.02 0.99 -3.13 117.44 115.99 2ron n TRP 203 Ca 0.02 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.13 2ron n TRP 203 Cb 0.46 -3.15 -0.09 0.00 -2.42 0.00 0.00 31.31 26.11 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 -2.60 3.59 -0.30 6.99 0.00 -1.26 -4.58 121.76 123.61 2ron s ALA 204 Ca 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 2ron s ALA 204 Cb 0.00 -2.45 0.09 0.00 0.00 0.00 0.00 23.12 20.76 2ron s ALA 204 CO 0.00 -0.25 0.07 0.15 0.00 0.00 0.00 175.76 175.72 2ron s LYS 205 N 1.20 0.93 0.90 0.00 3.01 -1.16 -4.95 119.74 119.67 2ron s LYS 205 Ca 0.12 -1.13 -0.13 0.00 -1.01 0.00 0.00 55.97 53.81 2ron s LYS 205 Cb -0.14 -2.26 0.02 0.00 -1.01 0.00 0.00 37.83 34.44 2ron s LYS 205 CO 0.06 -0.90 0.46 -0.25 0.51 0.00 0.00 175.35 175.23 2ron n ASP 206 N 4.75 -1.78 -0.07 2.83 9.92 -1.26 -4.61 116.55 126.33 2ron n ASP 206 Ca -0.03 0.39 0.25 0.00 -0.53 0.00 0.00 54.79 54.87 2ron n ASP 206 Cb 0.43 -1.22 0.72 0.00 -0.64 0.00 0.00 41.12 40.40 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2ron h ILE 207 N -1.31 0.44 -2.53 0.53 6.09 -1.61 -3.29 117.51 115.83 2ron h ILE 207 Ca -0.44 0.00 -0.53 0.00 -1.37 0.00 0.00 64.86 62.53 2ron h ILE 207 Cb 1.29 0.55 -0.38 0.00 0.47 0.00 0.00 36.82 38.76 2ron h ILE 207 CO 0.36 0.00 -0.80 -0.89 -3.07 0.00 0.00 178.15 173.75 2ron s THR 208 N -4.79 -0.01 0.13 2.19 2.01 -1.23 -5.06 115.64 108.88 2ron s THR 208 Ca -0.05 -1.29 0.08 0.00 0.31 0.00 0.00 61.69 60.75 2ron s THR 208 Cb 0.19 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 2ron s THR 208 CO 0.66 -0.84 -0.19 0.72 -0.69 0.00 0.00 174.62 174.28 2ron s PHE 209 N 1.47 1.79 0.02 4.92 -0.71 -1.24 -1.77 117.98 122.46 2ron s PHE 209 Ca 0.15 -0.45 -0.05 0.00 -1.04 0.00 0.00 56.93 55.54 2ron s PHE 209 Cb -0.20 -0.94 -0.01 0.00 -1.21 0.00 0.00 43.02 40.67 2ron s PHE 209 CO -0.12 0.26 0.09 -1.58 -1.34 0.00 0.00 175.22 172.53 2ron s HIS 210 N -1.61 0.17 -0.06 3.49 2.46 -1.24 -4.96 115.29 113.53 2ron s HIS 210 Ca 0.11 -0.40 -0.02 0.00 0.47 0.00 0.00 55.06 55.21 2ron s HIS 210 Cb -0.08 -0.13 0.03 0.00 -0.13 0.00 0.00 32.58 32.28 2ron s HIS 210 CO 0.05 -0.31 0.05 1.14 -2.47 0.00 0.00 174.74 173.21 2ron s GLN 211 N -2.06 0.04 -0.24 2.88 1.03 -1.23 -0.12 119.66 119.96 2ron s GLN 211 Ca -0.10 0.28 0.01 0.00 0.04 0.00 0.00 55.36 55.59 2ron s GLN 211 Cb -0.04 -0.73 0.06 0.00 0.03 0.00 0.00 33.01 32.33 2ron s GLN 211 CO -0.02 -0.37 -0.03 0.12 -2.54 0.00 0.00 175.29 172.45 2ron s PHE 212 N 2.13 2.39 0.16 9.60 5.36 -1.06 -4.99 117.98 131.58 2ron s PHE 212 Ca 0.05 -1.80 0.05 0.00 -0.96 0.00 0.00 56.93 54.27 2ron s PHE 212 Cb -0.13 -1.65 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 2ron s PHE 212 CO -0.04 -0.79 0.13 -0.51 -1.46 0.00 0.00 175.22 172.55 2ron s ASP 213 N 1.40 5.49 0.00 6.13 1.01 -1.26 -0.81 116.67 128.62 2ron s ASP 213 Ca -0.04 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.08 2ron s ASP 213 Cb -0.19 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.32 2ron s ASP 213 CO -0.07 0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.99 2ron n GLY 214 N -0.33 -0.34 0.00 0.21 0.00 -1.16 -4.72 105.19 98.86 2ron n GLY 214 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2ron n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 215 N 1.85 0.75 0.17 -0.02 0.00 -0.23 -4.84 105.19 102.87 2ron n GLY 215 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.57 1.61 8.25 0.11 -4.13 115.22 120.48 2ron n HIS 216 Ca 0.00 -0.30 -0.29 0.00 -0.26 0.00 0.00 57.72 56.87 2ron n HIS 216 Cb 0.00 -0.06 0.20 0.00 1.12 0.00 0.00 29.99 31.25 2ron n HIS 216 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 2ron n MET 217 N -0.39 -2.21 0.15 -0.41 1.56 -1.23 -4.21 117.12 110.37 2ron n MET 217 Ca 0.03 -0.64 0.18 0.00 -0.27 0.00 0.00 57.70 57.01 2ron n MET 217 Cb 0.55 -1.75 0.78 0.00 2.15 0.00 0.00 33.22 34.94 2ron n MET 217 CO 0.00 0.00 0.00 0.35 -0.73 0.00 0.00 175.97 175.59 2ron h PHE 218 N -2.44 0.00 0.00 1.12 3.57 -1.91 0.07 116.94 117.35 2ron h PHE 218 Ca -0.50 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 60.77 2ron h PHE 218 Cb 1.26 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 2ron h PHE 218 CO -0.70 0.00 -1.81 -0.11 -2.23 0.00 0.00 178.31 173.47 2ron n LEU 219 N -3.87 1.74 0.16 0.59 7.94 -1.26 -4.28 117.00 118.02 2ron n LEU 219 Ca 0.04 0.09 0.18 0.00 -1.11 0.00 0.00 56.01 55.21 2ron n LEU 219 Cb 0.44 -0.45 0.79 0.00 0.53 0.00 0.00 43.42 44.73 2ron n LEU 219 CO 0.29 0.46 1.16 -0.07 -1.11 0.00 0.00 177.39 178.12 2ron h LEU 220 N -0.34 0.00 0.18 -1.96 3.38 -1.85 -0.28 115.31 114.44 2ron h LEU 220 Ca -0.35 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.32 2ron h LEU 220 Cb 1.38 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.16 2ron h LEU 220 CO -0.16 0.00 -1.28 -1.28 0.09 0.00 0.00 178.44 175.81 2ron h SER 221 N 0.00 0.81 -0.45 -0.43 0.87 -1.13 -3.31 113.55 109.90 2ron h SER 221 Ca 0.13 -0.88 -0.08 0.00 -1.23 0.00 0.00 61.79 59.73 2ron h SER 221 Cb 0.72 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2ron h SER 221 CO -0.00 1.62 -0.00 -0.61 -0.53 0.00 0.00 176.83 177.31 2ron h GLN 222 N 0.12 0.87 -5.14 2.24 5.75 -1.28 -3.37 115.11 114.31 2ron h GLN 222 Ca -0.21 -0.25 -0.67 0.00 -0.15 0.00 0.00 58.65 57.37 2ron h GLN 222 Cb 1.98 -0.09 -0.17 0.00 1.07 0.00 0.00 27.48 30.27 2ron h GLN 222 CO 0.24 0.87 0.64 0.99 -2.65 0.00 0.00 178.83 178.92 2ron s THR 223 N -4.99 4.59 0.34 2.39 2.01 -0.55 -4.86 115.64 114.57 2ron s THR 223 Ca -0.10 -1.05 0.23 0.00 0.31 0.00 0.00 61.69 61.07 2ron s THR 223 Cb 0.14 -4.71 0.23 0.00 0.01 0.00 0.00 72.50 68.17 2ron s THR 223 CO 0.82 -1.44 1.95 1.05 -0.69 0.00 0.00 174.62 176.31 2ron h GLU 224 N 9.15 0.00 0.17 4.92 4.11 -1.80 -3.12 114.58 128.01 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 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2ron h GLU 224 CO 1.13 0.21 -0.15 0.93 0.07 0.00 0.00 179.01 181.20 2ron h GLU 225 N 0.00 -0.31 -0.94 1.06 4.39 -1.92 -1.85 114.58 115.01 2ron h GLU 225 Ca -0.00 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.89 2ron h GLU 225 Cb 0.52 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.13 2ron h GLU 225 CO 0.03 -0.20 0.54 -0.39 -1.16 0.00 0.00 179.01 177.82 2ron h VAL 226 N -0.32 0.72 0.02 3.13 -1.51 -1.92 0.50 116.25 116.87 2ron h VAL 226 Ca -0.02 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2ron h VAL 226 Cb 0.27 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.37 2ron h VAL 226 CO -0.01 0.13 -0.06 0.00 -1.23 0.00 0.00 177.57 176.40 2ron h ALA 227 N 1.61 -0.61 -0.07 5.19 0.00 -1.44 0.23 119.26 124.17 2ron h ALA 227 Ca 0.53 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.45 2ron h ALA 227 Cb 0.79 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ron h ALA 227 CO -0.38 -0.63 0.06 0.93 0.00 0.00 0.00 179.25 179.24 2ron h GLU 228 N -0.09 0.00 0.16 0.00 5.08 -1.08 -2.02 114.58 116.63 2ron h GLU 228 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ron h GLU 228 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2ron h GLU 228 CO -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.90 2ron h ARG 229 N 0.00 -0.21 0.41 2.33 2.47 -0.09 -0.05 114.38 119.25 2ron h ARG 229 Ca 0.03 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2ron h ARG 229 Cb 0.15 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2ron h ARG 229 CO -0.00 0.04 -0.20 0.82 0.56 0.00 0.00 179.97 181.19 2ron h ILE 230 N -0.43 0.58 -0.64 2.04 1.08 -0.08 -2.22 117.51 117.83 2ron h ILE 230 Ca -0.02 -0.29 0.11 0.00 -0.39 0.00 0.00 64.86 64.26 2ron h ILE 230 Cb 0.34 0.72 -0.08 0.00 -3.07 0.00 0.00 36.82 34.73 2ron h ILE 230 CO 0.04 0.05 0.23 0.15 -0.69 0.00 0.00 178.15 177.93 2ron h PHE 231 N -0.73 0.40 0.25 1.37 3.04 -1.44 0.30 116.94 120.11 2ron h PHE 231 Ca -0.06 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2ron h PHE 231 Cb 0.52 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 2ron h PHE 231 CO -0.01 0.08 -0.21 0.00 -2.02 0.00 0.00 178.31 176.15 2ron h ALA 232 N 1.46 -0.96 0.00 2.41 0.00 -0.92 -0.23 119.26 121.01 2ron h ALA 232 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2ron h ALA 232 Cb 0.44 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ron h ALA 232 CO -0.34 -0.96 0.00 0.97 0.00 0.00 0.00 179.25 178.92 2ron h ILE 233 N -0.44 0.00 0.06 0.00 6.09 -1.21 -0.61 117.51 121.40 2ron h ILE 233 Ca -0.03 -0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.22 2ron h ILE 233 Cb 0.37 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.39 2ron h ILE 233 CO -0.00 0.00 -1.06 -0.07 -3.07 0.00 0.00 178.15 173.94 2ron h LEU 234 N 0.00 0.41 0.00 2.19 3.38 0.40 0.54 115.31 122.23 2ron h LEU 234 Ca 0.00 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 2ron h LEU 234 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ron h LEU 234 CO 0.00 1.23 -0.52 -0.55 0.09 0.00 0.00 178.44 178.70 2ron h ASN 235 N 0.13 0.00 -0.12 -0.43 7.08 0.49 -3.28 115.58 119.44 2ron h ASN 235 Ca -0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 2ron h ASN 235 Cb 1.74 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.98 2ron h ASN 235 CO 0.17 0.23 0.00 0.00 -2.08 0.00 0.00 177.43 175.75 2ron n GLN 236 N -3.04 1.29 -0.02 4.14 10.64 -0.81 -4.43 117.38 125.14 2ron n GLN 236 Ca 0.01 -1.42 -0.13 0.00 -1.83 0.00 0.00 57.00 53.63 2ron n GLN 236 Cb 0.64 -1.21 -0.07 0.00 -0.86 0.00 0.00 30.24 28.73 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2ron h HIS 237 N 1.93 -1.36 -0.07 2.61 2.76 0.03 -2.96 115.15 118.09 2ron h HIS 237 Ca 0.00 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2ron h HIS 237 Cb 0.52 0.62 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 2ron h HIS 237 CO 0.07 -0.50 -0.07 -1.00 -1.30 0.00 0.00 177.93 175.14 2ron h PRO 238 N -0.50 0.16 -5.79 5.26 0.13 -1.83 -3.44 132.00 125.98 2ron h PRO 238 Ca 0.07 -0.09 -0.68 0.00 -0.87 0.00 0.00 66.00 64.43 2ron h PRO 238 Cb 0.64 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.46 2ron h PRO 238 CO -0.44 0.61 -0.88 0.96 -0.23 0.00 0.00 178.00 178.02 2ron s ILE 239 N -4.27 2.03 -0.14 -3.56 -5.25 -1.12 -5.01 121.20 103.89 2ron s ILE 239 Ca -0.15 -1.04 0.25 0.00 -0.99 0.00 0.00 60.65 58.72 2ron s ILE 239 Cb 0.03 -1.73 0.29 0.00 2.95 0.00 0.00 42.46 44.00 2ron s ILE 239 CO 0.71 0.56 1.72 -0.29 -1.79 0.00 0.00 174.94 175.85 2ron h ILE 240 N 5.25 0.26 -3.29 8.37 6.09 -1.86 -3.37 117.51 128.97 2ron h ILE 240 Ca -0.28 -1.10 -0.55 0.00 -1.37 0.00 0.00 64.86 61.55 2ron h ILE 240 Cb 1.19 1.90 0.20 0.00 0.47 0.00 0.00 36.82 40.58 2ron h ILE 240 CO 0.47 0.13 -0.47 0.00 -3.07 0.00 0.00 178.15 175.21 2ron n GLN 241 N -3.18 0.08 0.00 2.19 1.13 -1.26 -5.00 117.38 111.34 2ron n GLN 241 Ca 0.02 0.07 0.08 0.00 -1.94 0.00 0.00 57.00 55.23 2ron n GLN 241 Cb 0.49 -1.84 0.46 0.00 0.11 0.00 0.00 30.24 29.46 2ron n GLN 241 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27