#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 0.26 0.51 7.83 0.01 -1.18 -4.54 113.70 116.59 2ron s SER 2 Ca 0.00 -1.06 0.06 0.00 1.31 0.00 0.00 55.95 56.26 2ron s SER 2 Cb 0.00 0.32 0.02 0.00 0.21 0.00 0.00 66.02 66.57 2ron s SER 2 CO 0.00 -0.75 0.38 -1.10 0.41 0.00 0.00 173.24 172.18 2ron s GLN 3 N -4.00 2.30 -0.28 12.44 -0.21 -0.78 -3.99 119.66 125.14 2ron s GLN 3 Ca 0.19 -1.92 -0.21 0.00 0.02 0.00 0.00 55.36 53.44 2ron s GLN 3 Cb 0.06 -2.14 0.13 0.00 1.00 0.00 0.00 33.01 32.06 2ron s GLN 3 CO -0.01 -0.50 0.99 -0.48 -2.12 0.00 0.00 175.29 173.16 2ron s LEU 4 N -4.23 -0.50 -0.06 2.90 2.34 -1.26 -0.09 118.68 117.79 2ron s LEU 4 Ca 0.37 0.89 -0.12 0.00 0.06 0.00 0.00 54.13 55.33 2ron s LEU 4 Cb -0.02 1.86 -0.05 0.00 -0.56 0.00 0.00 46.19 47.42 2ron s LEU 4 CO 0.23 -0.15 0.31 0.12 -1.06 0.00 0.00 176.35 175.80 2ron s PHE 5 N 0.76 3.66 0.04 3.48 5.36 -0.82 -4.90 117.98 125.56 2ron s PHE 5 Ca -0.02 0.80 0.02 0.00 -0.96 0.00 0.00 56.93 56.77 2ron s PHE 5 Cb -0.04 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.44 2ron s PHE 5 CO -0.11 0.64 -0.08 0.15 -1.46 0.00 0.00 175.22 174.36 2ron s LYS 6 N -0.91 0.53 -0.30 10.12 3.01 -1.26 -1.99 119.74 128.95 2ron s LYS 6 Ca 0.20 -0.74 -0.03 0.00 -1.01 0.00 0.00 55.97 54.39 2ron s LYS 6 Cb -0.15 -0.31 0.19 0.00 -1.01 0.00 0.00 37.83 36.55 2ron s LYS 6 CO 0.09 0.06 0.81 -1.54 0.51 0.00 0.00 175.35 175.28 2ron s SER 7 N -1.51 -1.03 0.21 2.83 1.04 0.11 -4.98 113.70 110.37 2ron s SER 7 Ca -0.09 0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.61 2ron s SER 7 Cb -0.10 1.70 -0.03 0.00 0.10 0.00 0.00 66.02 67.69 2ron s SER 7 CO 0.00 -0.19 0.35 0.72 0.98 0.00 0.00 173.24 175.10 2ron s PHE 8 N 2.89 3.47 -0.11 5.02 -0.71 -1.26 -0.08 117.98 127.20 2ron s PHE 8 Ca 0.16 0.11 -0.04 0.00 -1.04 0.00 0.00 56.93 56.12 2ron s PHE 8 Cb -0.08 -1.67 0.05 0.00 -1.21 0.00 0.00 43.02 40.11 2ron s PHE 8 CO -0.22 0.44 0.11 0.34 -1.34 0.00 0.00 175.22 174.55 2ron s ASP 9 N -3.59 1.49 -2.14 1.98 -1.08 -1.26 -4.83 116.67 107.25 2ron s ASP 9 Ca 0.35 -0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 2ron s ASP 9 Cb -0.10 -0.02 0.00 0.00 -1.46 0.00 0.00 42.92 41.34 2ron s ASP 9 CO 0.29 -0.29 0.00 0.00 0.52 0.00 0.00 175.17 175.69 2ron n ALA 10 N 5.30 -0.31 -3.92 3.66 0.00 -1.26 -2.77 120.51 121.21 2ron n ALA 10 Ca -0.05 0.33 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 2ron n ALA 10 Cb 0.50 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 17.95 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -1.31 -3.41 0.00 0.00 3.41 -1.26 -4.93 113.62 106.12 2ron n SER 11 Ca -0.20 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2ron n SER 11 Cb 0.67 -2.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.03 2ron n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2ron n GLU 12 N -4.56 0.00 -3.76 4.33 4.07 -1.11 -4.99 120.64 114.62 2ron n GLU 12 Ca -0.16 0.50 -0.13 0.00 -0.06 0.00 0.00 57.16 57.31 2ron n GLU 12 Cb 0.61 -1.06 -0.11 0.00 -0.06 0.00 0.00 31.44 30.82 2ron n GLU 12 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ron s LYS 13 N -1.23 0.37 -0.78 5.31 1.02 -1.26 -4.82 119.74 118.34 2ron s LYS 13 Ca 0.00 0.44 -0.22 0.00 0.02 0.00 0.00 55.97 56.22 2ron s LYS 13 Cb 0.00 0.18 0.08 0.00 -0.52 0.00 0.00 37.83 37.57 2ron s LYS 13 CO 0.00 -0.05 1.09 0.99 -0.92 0.00 0.00 175.35 176.47 2ron s THR 14 N 0.18 4.35 -0.66 2.17 2.01 -1.21 -0.39 115.64 122.09 2ron s THR 14 Ca -0.00 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 2ron s THR 14 Cb -0.02 -4.77 0.14 0.00 0.01 0.00 0.00 72.50 67.86 2ron s THR 14 CO 0.00 -1.56 0.69 -1.58 -0.69 0.00 0.00 174.62 171.48 2ron s GLN 15 N 3.90 3.21 -0.20 4.92 0.74 -1.14 -2.19 119.66 128.89 2ron s GLN 15 Ca 0.29 -1.76 -0.11 0.00 0.05 0.00 0.00 55.36 53.83 2ron s GLN 15 Cb -0.11 -4.37 -0.05 0.00 1.10 0.00 0.00 33.01 29.58 2ron s GLN 15 CO 0.03 -1.43 0.18 -1.17 -0.55 0.00 0.00 175.29 172.34 2ron s LEU 16 N 1.72 4.19 0.36 3.68 0.20 0.01 -2.09 118.68 126.74 2ron s LEU 16 Ca 0.12 0.26 0.01 0.00 0.69 0.00 0.00 54.13 55.21 2ron s LEU 16 Cb -0.21 -2.16 -0.00 0.00 -0.43 0.00 0.00 46.19 43.38 2ron s LEU 16 CO 0.00 0.12 0.43 0.27 -0.29 0.00 0.00 176.35 176.89 2ron s ILE 17 N 0.63 0.00 -0.30 6.68 -4.36 0.94 -1.60 121.20 123.19 2ron s ILE 17 Ca 0.10 -1.71 -0.09 0.00 -0.26 0.00 0.00 60.65 58.68 2ron s ILE 17 Cb -0.12 -2.64 0.16 0.00 1.25 0.00 0.00 42.46 41.11 2ron s ILE 17 CO 0.01 0.00 0.80 0.00 0.24 0.00 0.00 174.94 175.99 2ron n PHE 19 N 5.32 -2.15 -1.06 0.00 3.72 -1.26 -4.74 117.46 117.28 2ron n PHE 19 Ca -0.07 0.68 -0.30 0.00 -0.05 0.00 0.00 57.45 57.70 2ron n PHE 19 Cb 0.51 -3.87 0.26 0.00 -0.94 0.00 0.00 39.48 35.44 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 -5.29 -1.64 -0.27 -1.08 0.04 -1.26 -5.02 135.00 120.48 2ron s PRO 20 Ca 0.41 -0.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.06 2ron s PRO 20 Cb -0.10 -1.56 0.08 0.00 0.04 0.00 0.00 34.50 32.96 2ron s PRO 20 CO 0.80 -3.96 0.68 -0.59 0.04 0.00 0.00 177.00 173.98 2ron s PHE 21 N -3.02 -1.01 0.02 0.56 -0.71 -1.26 -5.08 117.98 107.48 2ron s PHE 21 Ca 0.72 2.07 -0.06 0.00 -1.04 0.00 0.00 56.93 58.63 2ron s PHE 21 Cb -0.07 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 2ron s PHE 21 CO 0.56 -0.50 1.09 0.00 -1.34 0.00 0.00 175.22 175.03 2ron h ALA 22 N 6.66 -0.64 -0.31 1.99 0.00 -1.99 -3.39 119.26 121.59 2ron h ALA 22 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ron h ALA 22 Cb 1.22 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2ron h ALA 22 CO 0.15 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.15 2ron n GLY 23 N -1.08 2.11 0.00 0.00 0.00 -1.26 -2.30 105.19 102.65 2ron n GLY 23 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.58 105.19 99.60 2ron n GLY 24 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.50 0.00 1.61 -0.00 -1.81 -1.50 116.97 115.76 2ron h TYR 25 Ca 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.73 58.64 2ron h TYR 25 Cb 0.49 -0.15 -0.01 0.00 -0.00 0.00 0.00 36.73 37.07 2ron h TYR 25 CO 0.00 0.46 -0.45 0.77 -0.00 0.00 0.00 178.16 178.94 2ron h SER 26 N 0.48 0.00 0.10 0.10 0.02 -1.66 -2.09 113.55 110.50 2ron h SER 26 Ca 0.11 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.80 2ron h SER 26 Cb 0.24 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.80 2ron h SER 26 CO 0.00 0.24 -1.05 0.00 -1.14 0.00 0.00 176.83 174.88 2ron h ALA 27 N 1.76 0.16 0.00 3.77 0.00 -1.40 -1.85 119.26 121.70 2ron h ALA 27 Ca -0.02 -0.71 -0.20 0.00 0.00 0.00 0.00 54.91 53.98 2ron h ALA 27 Cb 1.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2ron h ALA 27 CO 0.03 0.72 -1.16 0.66 0.00 0.00 0.00 179.25 179.50 2ron h SER 28 N 0.34 0.00 0.72 0.00 4.64 -1.38 -3.32 113.55 114.55 2ron h SER 28 Ca -0.13 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 2ron h SER 28 Cb 1.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.78 2ron h SER 28 CO 0.20 0.80 -0.94 0.15 -0.87 0.00 0.00 176.83 176.18 2ron h PHE 29 N 0.00 0.20 -0.04 4.77 3.04 -1.45 -2.94 116.94 120.52 2ron h PHE 29 Ca -0.11 -0.12 0.03 0.00 3.98 0.00 0.00 57.97 61.75 2ron h PHE 29 Cb 1.71 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 40.14 2ron h PHE 29 CO 0.00 0.99 -0.49 -0.09 -2.02 0.00 0.00 178.31 176.70 2ron h ARG 30 N 0.06 -0.59 -0.12 1.11 9.65 -1.43 0.50 114.38 123.56 2ron h ARG 30 Ca -0.04 0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 2ron h ARG 30 Cb 1.61 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 30.31 2ron h ARG 30 CO 0.14 -0.39 -0.46 -1.00 2.80 0.00 0.00 179.97 181.06 2ron h PRO 31 N -0.61 0.29 -0.87 0.20 0.13 -1.72 0.99 132.00 130.40 2ron h PRO 31 Ca 0.04 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2ron h PRO 31 Cb 0.69 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 2ron h PRO 31 CO -0.37 0.69 0.49 -0.07 -0.23 0.00 0.00 178.00 178.52 2ron h LEU 32 N 0.23 1.08 0.00 1.56 -0.00 -1.22 -1.41 115.31 115.55 2ron h LEU 32 Ca 0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2ron h LEU 32 Cb 0.90 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2ron h LEU 32 CO 0.07 0.86 -1.11 0.00 -0.00 0.00 0.00 178.44 178.26 2ron n HIS 33 N -4.37 0.85 0.30 1.13 1.44 0.11 -2.36 115.22 112.33 2ron n HIS 33 Ca 0.09 0.25 0.14 0.00 -2.01 0.00 0.00 57.72 56.19 2ron n HIS 33 Cb 0.08 -0.90 0.38 0.00 0.12 0.00 0.00 29.99 29.68 2ron n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ron h ALA 34 N 2.02 1.00 0.00 1.59 0.00 -0.43 0.29 119.26 123.73 2ron h ALA 34 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2ron h ALA 34 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2ron h ALA 34 CO 0.00 0.00 -1.49 0.34 0.00 0.00 0.00 179.25 178.10 2ron n PHE 35 N -2.93 0.00 -0.12 0.00 7.35 -0.56 -4.69 117.46 116.51 2ron n PHE 35 Ca 0.03 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.52 2ron n PHE 35 Cb 0.43 -0.28 -0.12 0.00 0.35 0.00 0.00 39.48 39.86 2ron n PHE 35 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 2ron n LEU 36 N -1.96 2.76 -4.88 -2.13 -0.00 -0.99 -5.01 117.00 104.78 2ron n LEU 36 Ca -0.05 -0.01 -0.24 0.00 -0.00 0.00 0.00 56.01 55.71 2ron n LEU 36 Cb 0.38 -0.92 -0.02 0.00 -0.00 0.00 0.00 43.42 42.86 2ron n LEU 36 CO 0.20 0.86 0.02 -1.10 -0.00 0.00 0.00 177.39 177.38 2ron s GLN 37 N -2.52 2.33 -0.29 1.96 -0.21 0.10 -5.03 119.66 116.01 2ron s GLN 37 Ca -0.34 -1.84 -0.19 0.00 0.02 0.00 0.00 55.36 53.01 2ron s GLN 37 Cb 0.10 -2.19 0.13 0.00 1.00 0.00 0.00 33.01 32.05 2ron s GLN 37 CO 0.60 -0.44 0.96 0.20 -2.12 0.00 0.00 175.29 174.48 2ron s GLY 38 N -4.21 -0.12 -1.10 3.09 0.00 -1.26 -4.36 107.32 99.37 2ron s GLY 38 Ca 0.40 2.93 -0.07 0.00 0.00 0.00 0.00 44.72 47.98 2ron s GLY 38 CO 0.24 2.36 0.90 1.18 0.00 0.00 0.00 173.10 177.78 2ron n GLU 39 N 3.36 -2.90 -3.39 2.90 1.02 -1.26 -4.89 120.64 115.47 2ron n GLU 39 Ca -0.17 0.80 -0.38 0.00 -0.02 0.00 0.00 57.16 57.39 2ron n GLU 39 Cb 0.57 -5.59 -0.06 0.00 -0.02 0.00 0.00 31.44 26.34 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ron n GLU 41 N 1.85 1.64 -3.52 0.00 2.13 0.48 -4.83 120.64 118.39 2ron n GLU 41 Ca -0.12 0.59 -0.39 0.00 0.66 0.00 0.00 57.16 57.90 2ron n GLU 41 Cb 0.52 -2.21 -0.10 0.00 0.27 0.00 0.00 31.44 29.92 2ron n GLU 41 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2ron s MET 42 N -0.08 3.91 -0.14 5.31 -1.94 0.89 -2.90 119.30 124.34 2ron s MET 42 Ca 0.74 -0.25 -0.04 0.00 -1.71 0.00 0.00 55.69 54.42 2ron s MET 42 Cb -0.76 -3.68 0.05 0.00 2.01 0.00 0.00 34.83 32.45 2ron s MET 42 CO 0.48 -0.25 0.08 -1.17 -0.01 0.00 0.00 175.02 174.16 2ron s LEU 43 N 1.86 0.31 -0.03 -0.03 2.96 -0.89 -0.71 118.68 122.15 2ron s LEU 43 Ca 0.09 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2ron s LEU 43 Cb -0.16 -0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.32 2ron s LEU 43 CO 0.11 -0.33 -0.05 0.00 -1.32 0.00 0.00 176.35 174.76 2ron s ALA 44 N 2.14 0.65 0.81 5.97 0.00 -0.84 -0.04 121.76 130.45 2ron s ALA 44 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 2ron s ALA 44 Cb -0.15 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.69 2ron s ALA 44 CO -0.08 0.04 1.03 0.00 0.00 0.00 0.00 175.76 176.76 2ron n ALA 45 N 3.69 -0.49 -2.26 0.00 0.00 -0.36 -1.95 120.51 119.15 2ron n ALA 45 Ca -0.22 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 2ron n ALA 45 Cb 0.53 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.74 2ron n ALA 45 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ron s GLU 46 N -3.88 0.72 0.96 0.00 0.41 0.88 -4.60 118.70 113.19 2ron s GLU 46 Ca 0.71 -1.16 -0.12 0.00 -0.41 0.00 0.00 54.97 53.99 2ron s GLU 46 Cb -0.29 0.26 0.17 0.00 -1.78 0.00 0.00 34.13 32.48 2ron s GLU 46 CO 0.53 -0.18 1.09 -1.25 -0.49 0.00 0.00 175.26 174.97 2ron s PRO 47 N -3.91 0.75 -0.18 0.39 0.04 -1.26 -1.86 135.00 128.96 2ron s PRO 47 Ca 0.08 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 2ron s PRO 47 Cb 0.07 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2ron s PRO 47 CO -0.09 -2.54 1.59 -1.25 0.04 0.00 0.00 177.00 174.74 2ron s PRO 48 N -4.95 3.91 0.00 0.56 0.04 -1.26 -3.52 135.00 129.78 2ron s PRO 48 Ca 0.65 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2ron s PRO 48 Cb -0.18 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2ron s PRO 48 CO 0.57 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2ron n GLY 49 N 4.46 0.38 3.63 0.56 0.00 -1.26 -5.00 105.19 107.96 2ron n GLY 49 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2ron n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 50 N 0.85 3.14 0.00 1.61 3.76 -1.26 -5.02 115.29 118.37 2ron s HIS 50 Ca 0.00 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2ron s HIS 50 Cb 0.00 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.83 2ron s HIS 50 CO 0.00 0.32 0.00 0.41 -0.85 0.00 0.00 174.74 174.62 2ron n GLY 51 N 2.63 3.00 0.03 -2.22 0.00 -1.26 -4.92 105.19 102.44 2ron n GLY 51 Ca -0.18 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.04 2ron n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ron n THR 52 N -0.03 0.40 -0.46 2.61 -2.24 -1.26 -4.59 114.28 108.72 2ron n THR 52 Ca 0.00 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.58 2ron n THR 52 Cb 0.00 -0.82 0.27 0.00 -2.10 0.00 0.00 70.33 67.69 2ron n THR 52 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ron n ASN 53 N -2.40 4.37 -4.50 3.42 4.13 -1.26 -4.82 115.26 114.20 2ron n ASN 53 Ca -0.11 -2.79 -0.42 0.00 1.68 0.00 0.00 54.58 52.94 2ron n ASN 53 Cb 0.67 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2ron s GLN 54 N -2.34 3.56 -0.29 3.52 -1.52 -1.26 -4.97 119.66 116.36 2ron s GLN 54 Ca 0.41 -1.38 -0.02 0.00 -1.95 0.00 0.00 55.36 52.42 2ron s GLN 54 Cb 0.32 -5.06 0.04 0.00 -0.22 0.00 0.00 33.01 28.10 2ron s GLN 54 CO 0.11 -1.98 -0.02 0.99 -0.25 0.00 0.00 175.29 174.14 2ron s THR 55 N 3.88 2.95 0.02 -0.19 2.01 -1.26 -3.12 115.64 119.92 2ron s THR 55 Ca 0.38 -1.31 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 2ron s THR 55 Cb -0.03 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 2ron s THR 55 CO -0.08 -0.04 1.09 -1.28 -0.69 0.00 0.00 174.62 173.62 2ron h SER 56 N 8.00 -0.25 -3.71 3.53 0.87 -1.94 -3.46 113.55 116.60 2ron h SER 56 Ca -0.23 0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.08 2ron h SER 56 Cb 1.07 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2ron h SER 56 CO 0.54 -0.10 -0.34 0.00 -0.53 0.00 0.00 176.83 176.40 2ron n ALA 57 N -2.43 -0.75 -3.47 6.23 0.00 -1.26 -2.00 120.51 116.83 2ron n ALA 57 Ca -0.02 0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 2ron n ALA 57 Cb 0.07 -1.58 0.06 0.00 0.00 0.00 0.00 19.45 18.00 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 -3.44 -7.54 0.17 0.00 2.08 -1.26 -4.92 119.36 104.45 2ron n ILE 58 Ca -0.16 -1.16 0.02 0.00 0.56 0.00 0.00 62.75 62.01 2ron n ILE 58 Cb 0.62 -5.44 -0.00 0.00 -0.75 0.00 0.00 39.64 34.07 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 -3.70 2.71 -0.23 0.38 1.02 -0.85 -4.68 120.64 115.29 2ron n GLU 59 Ca -0.08 -0.37 0.03 0.00 -0.02 0.00 0.00 57.16 56.72 2ron n GLU 59 Cb 0.60 -0.87 0.14 0.00 -0.02 0.00 0.00 31.44 31.30 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 0.39 0.15 0.00 1.62 3.04 -1.91 0.24 116.42 119.95 2ron h ASP 60 Ca 0.00 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 2ron h ASP 60 Cb 0.12 0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 2ron h ASP 60 CO 0.00 0.07 0.00 0.18 -2.04 0.00 0.00 179.24 177.45 2ron n LEU 61 N -5.05 0.00 -0.26 0.15 4.77 -1.26 -0.38 117.00 114.97 2ron n LEU 61 Ca 0.11 0.75 0.20 0.00 -0.03 0.00 0.00 56.01 57.04 2ron n LEU 61 Cb 0.36 -0.25 0.52 0.00 -2.33 0.00 0.00 43.42 41.72 2ron n LEU 61 CO 0.18 -0.25 1.23 -0.33 -1.33 0.00 0.00 177.39 176.89 2ron h GLU 62 N 0.00 0.38 0.00 3.23 5.08 -1.87 0.03 114.58 121.43 2ron h GLU 62 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2ron h GLU 62 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2ron h GLU 62 CO 0.00 0.25 0.00 -1.91 -1.00 0.00 0.00 179.01 176.35 2ron n GLU 63 N -4.52 0.00 -0.35 2.33 4.07 0.83 -1.91 120.64 121.09 2ron n GLU 63 Ca 0.20 0.31 0.14 0.00 -0.06 0.00 0.00 57.16 57.75 2ron n GLU 63 Cb 0.74 -1.28 0.34 0.00 -0.06 0.00 0.00 31.44 31.17 2ron n GLU 63 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2ron h LEU 64 N 0.00 0.76 -0.07 4.31 -0.00 -0.53 0.34 115.31 120.12 2ron h LEU 64 Ca 0.00 0.11 0.03 0.00 -0.00 0.00 0.00 57.88 58.01 2ron h LEU 64 Cb 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.58 2ron h LEU 64 CO 0.00 0.23 -0.54 0.74 -0.00 0.00 0.00 178.44 178.87 2ron h THR 65 N 0.72 0.00 0.00 0.22 2.02 -0.95 -1.40 112.91 113.52 2ron h THR 65 Ca 0.60 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.70 2ron h THR 65 Cb 0.98 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2ron h THR 65 CO -0.41 0.00 -0.37 -0.78 0.37 0.00 0.00 175.52 174.33 2ron h ASP 66 N -0.63 0.00 -0.87 4.18 1.82 -0.67 0.35 116.42 120.60 2ron h ASP 66 Ca 0.02 0.00 0.13 0.00 -0.39 0.00 0.00 57.03 56.79 2ron h ASP 66 Cb 0.70 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.64 2ron h ASP 66 CO -0.40 0.37 0.56 0.25 -1.61 0.00 0.00 179.24 178.42 2ron h LEU 67 N 0.00 0.67 0.00 2.28 7.12 0.72 0.36 115.31 126.47 2ron h LEU 67 Ca -0.00 0.03 -0.16 0.00 0.13 0.00 0.00 57.88 57.88 2ron h LEU 67 Cb 1.00 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.99 2ron h LEU 67 CO 0.05 0.36 -1.61 -1.22 -0.13 0.00 0.00 178.44 175.89 2ron n TYR 68 N -4.54 0.00 -0.49 1.25 4.02 -0.82 -4.56 117.16 112.01 2ron n TYR 68 Ca 0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.98 2ron n TYR 68 Cb 0.41 -0.42 0.21 0.00 -0.02 0.00 0.00 39.34 39.52 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 -2.60 2.80 -0.36 -0.72 4.76 0.12 -4.52 118.16 117.64 2ron n LYS 69 Ca -0.17 -2.22 0.36 0.00 -2.87 0.00 0.00 58.31 53.41 2ron n LYS 69 Cb 0.74 -1.95 0.73 0.00 -1.84 0.00 0.00 35.03 32.72 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 1.73 0.04 -6.55 1.97 4.15 -0.42 -3.37 115.11 112.66 2ron h GLN 70 Ca 0.25 -0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.31 2ron h GLN 70 Cb 1.99 -0.01 0.19 0.00 0.21 0.00 0.00 27.48 29.86 2ron h GLN 70 CO 0.59 0.03 -0.52 0.39 -1.93 0.00 0.00 178.83 177.39 2ron n GLU 71 N -4.22 -2.60 -0.22 1.69 1.02 -1.26 -4.79 120.64 110.26 2ron n GLU 71 Ca 0.28 -0.76 0.24 0.00 -0.02 0.00 0.00 57.16 56.89 2ron n GLU 71 Cb 1.29 -1.71 0.61 0.00 -0.02 0.00 0.00 31.44 31.60 2ron n GLU 71 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2ron h LEU 72 N -2.67 0.23 -8.98 -4.62 -0.00 -2.01 -3.37 115.31 93.88 2ron h LEU 72 Ca -0.42 0.03 -0.61 0.00 -0.00 0.00 0.00 57.88 56.88 2ron h LEU 72 Cb 1.15 -0.01 -0.11 0.00 -0.00 0.00 0.00 40.66 41.68 2ron h LEU 72 CO 0.29 0.08 0.19 0.21 -0.00 0.00 0.00 178.44 179.21 2ron s ASN 73 N -5.61 6.59 -0.28 0.17 3.84 -1.26 -5.02 114.94 113.37 2ron s ASN 73 Ca -0.07 0.70 -0.20 0.00 0.21 0.00 0.00 52.86 53.51 2ron s ASN 73 Cb 0.22 -2.35 0.09 0.00 -0.55 0.00 0.00 41.25 38.67 2ron s ASN 73 CO 0.78 -0.40 0.79 -1.48 -2.79 0.00 0.00 177.10 174.00 2ron s LEU 74 N 2.56 -0.75 -0.08 3.21 0.05 -1.26 -4.58 118.68 117.83 2ron s LEU 74 Ca 0.27 1.29 -0.30 0.00 0.05 0.00 0.00 54.13 55.44 2ron s LEU 74 Cb -0.15 2.23 0.10 0.00 -2.05 0.00 0.00 46.19 46.31 2ron s LEU 74 CO 0.09 -0.21 0.83 -0.13 -0.55 0.00 0.00 176.35 176.38 2ron s ARG 75 N 1.07 0.85 0.00 1.48 0.52 -1.26 -5.10 118.95 116.51 2ron s ARG 75 Ca -0.05 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2ron s ARG 75 Cb -0.05 0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.82 2ron s ARG 75 CO -0.12 -0.29 0.00 -0.35 0.02 0.00 0.00 175.30 174.57 2ron n PRO 76 N 0.63 -0.50 -4.89 3.54 -0.04 -1.26 -4.99 135.00 127.48 2ron n PRO 76 Ca -0.14 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.99 2ron n PRO 76 Cb 0.58 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.91 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 3.96 0.08 3.54 1.11 -1.26 -5.05 116.67 117.55 2ron s ASP 77 Ca 0.00 -0.24 -0.32 0.00 0.18 0.00 0.00 52.55 52.17 2ron s ASP 77 Cb 0.00 -0.99 -0.15 0.00 1.07 0.00 0.00 42.92 42.86 2ron s ASP 77 CO 0.00 0.31 1.49 0.03 1.18 0.00 0.00 175.17 178.18 2ron h ARG 78 N 5.65 -0.79 -7.08 8.23 -0.00 -1.90 -3.43 114.38 115.06 2ron h ARG 78 Ca -0.42 0.05 -0.50 0.00 -0.50 0.00 0.00 59.98 58.62 2ron h ARG 78 Cb 1.16 0.18 0.07 0.00 0.00 0.00 0.00 29.97 31.39 2ron h ARG 78 CO 0.51 -0.53 0.44 -1.25 0.00 0.00 0.00 179.97 179.14 2ron s PRO 79 N -5.50 3.39 -0.29 0.04 0.04 -1.26 -4.29 135.00 127.13 2ron s PRO 79 Ca -0.15 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 2ron s PRO 79 Cb 0.04 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.69 2ron s PRO 79 CO 0.53 -0.82 0.94 0.12 0.04 0.00 0.00 177.00 177.81 2ron s PHE 80 N -1.75 -0.69 -0.10 0.56 5.36 -0.60 -3.35 117.98 117.41 2ron s PHE 80 Ca 0.72 1.30 0.02 0.00 -0.96 0.00 0.00 56.93 58.01 2ron s PHE 80 Cb -0.24 0.41 0.01 0.00 -0.34 0.00 0.00 43.02 42.86 2ron s PHE 80 CO 0.28 -0.34 -0.15 0.14 -1.46 0.00 0.00 175.22 173.68 2ron s VAL 81 N 1.81 1.47 -0.30 3.12 -7.23 -0.93 -3.88 120.40 114.45 2ron s VAL 81 Ca -0.07 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2ron s VAL 81 Cb -0.05 -1.33 0.05 0.00 0.56 0.00 0.00 36.38 35.61 2ron s VAL 81 CO -0.16 0.43 0.01 -0.22 -0.31 0.00 0.00 175.10 174.85 2ron s LEU 82 N 0.83 3.89 -0.35 1.32 0.20 -1.23 -0.81 118.68 122.54 2ron s LEU 82 Ca -0.10 -1.21 -0.09 0.00 0.69 0.00 0.00 54.13 53.42 2ron s LEU 82 Cb -0.15 -1.73 0.03 0.00 -0.43 0.00 0.00 46.19 43.90 2ron s LEU 82 CO 0.01 -0.26 0.15 -0.36 -0.29 0.00 0.00 176.35 175.61 2ron s PHE 83 N 1.28 3.23 0.00 5.38 0.08 -0.63 -4.53 117.98 122.79 2ron s PHE 83 Ca -0.04 -1.08 0.00 0.00 0.12 0.00 0.00 56.93 55.93 2ron s PHE 83 Cb -0.19 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 2ron s PHE 83 CO -0.01 -0.65 0.00 0.41 -0.10 0.00 0.00 175.22 174.87 2ron n GLY 84 N 4.92 5.25 3.95 4.36 0.00 -1.26 -2.38 105.19 120.03 2ron n GLY 84 Ca -0.12 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 2ron n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ron s HIS 85 N 2.12 1.36 -0.16 1.61 3.76 -1.26 -4.98 115.29 117.74 2ron s HIS 85 Ca 0.00 0.14 0.15 0.00 -0.15 0.00 0.00 55.06 55.20 2ron s HIS 85 Cb 0.00 -4.01 0.35 0.00 1.11 0.00 0.00 32.58 30.03 2ron s HIS 85 CO 0.00 -2.63 1.18 -1.13 -0.85 0.00 0.00 174.74 171.31 2ron n SER 86 N -3.67 1.94 0.00 1.40 3.41 -1.26 -3.49 113.62 111.94 2ron n SER 86 Ca 0.16 -3.43 -0.00 0.00 -0.26 0.00 0.00 58.87 55.34 2ron n SER 86 Cb 0.59 -0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2ron n SER 86 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2ron n MET 87 N -1.19 0.02 -4.04 4.33 2.81 -1.26 -4.71 117.12 113.07 2ron n MET 87 Ca 0.17 0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.94 2ron n MET 87 Cb 0.68 -0.22 -0.04 0.00 -0.71 0.00 0.00 33.22 32.93 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 -3.17 1.16 0.00 3.03 0.00 -1.26 -4.88 107.32 102.19 2ron s GLY 88 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2ron s GLY 88 CO 0.02 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 172.87 2ron n GLY 89 N -0.51 -0.02 0.29 0.20 0.00 -1.26 -4.77 105.19 99.12 2ron n GLY 89 Ca -0.01 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.18 2ron n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ron h MET 90 N 0.00 0.00 0.15 1.61 -0.00 -1.96 -2.26 114.93 112.46 2ron h MET 90 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2ron h MET 90 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2ron h MET 90 CO 0.00 0.05 -0.07 0.82 -0.00 0.00 0.00 176.91 177.71 2ron h ILE 91 N 0.00 0.00 -0.94 -0.10 2.04 -1.95 -1.34 117.51 115.22 2ron h ILE 91 Ca -0.00 -0.83 0.16 0.00 1.00 0.00 0.00 64.86 65.19 2ron h ILE 91 Cb 0.28 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.28 2ron h ILE 91 CO 0.01 0.00 0.60 0.74 0.00 0.00 0.00 178.15 179.50 2ron h THR 92 N -1.02 0.80 0.06 -0.27 2.02 -1.96 -1.31 112.91 111.23 2ron h THR 92 Ca -0.02 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2ron h THR 92 Cb 0.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2ron h THR 92 CO 0.03 0.13 -0.03 0.15 0.37 0.00 0.00 175.52 176.18 2ron h PHE 93 N 0.73 -0.08 -1.01 3.16 3.04 -1.52 -2.12 116.94 119.14 2ron h PHE 93 Ca 0.49 -0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.67 2ron h PHE 93 Cb 0.78 0.03 -0.12 0.00 2.56 0.00 0.00 35.95 39.20 2ron h PHE 93 CO -0.00 0.48 0.60 -0.09 -2.02 0.00 0.00 178.31 177.28 2ron h ARG 94 N -0.72 0.62 -0.01 1.11 2.43 -0.66 0.30 114.38 117.44 2ron h ARG 94 Ca -0.01 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2ron h ARG 94 Cb 0.59 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2ron h ARG 94 CO 0.01 0.41 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.78 2ron h LEU 95 N 0.63 0.06 0.71 3.80 3.38 -1.29 -2.12 115.31 120.48 2ron h LEU 95 Ca 0.62 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2ron h LEU 95 Cb 1.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2ron h LEU 95 CO -0.44 0.64 -0.40 0.00 0.09 0.00 0.00 178.44 178.32 2ron h ALA 96 N 0.42 -1.24 -0.65 1.53 0.00 -0.51 -1.96 119.26 116.85 2ron h ALA 96 Ca -0.00 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.82 2ron h ALA 96 Cb 0.63 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2ron h ALA 96 CO 0.01 -1.19 0.15 0.37 0.00 0.00 0.00 179.25 178.58 2ron h GLN 97 N -1.03 0.26 0.06 0.00 5.75 -0.59 0.12 115.11 119.68 2ron h GLN 97 Ca -0.10 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.40 2ron h GLN 97 Cb 0.81 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 2ron h GLN 97 CO 0.12 0.17 -0.33 -0.22 -2.65 0.00 0.00 178.83 175.92 2ron h LYS 98 N 0.27 -0.45 0.00 1.69 1.63 -1.25 -0.02 116.57 118.44 2ron h LYS 98 Ca 0.35 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.18 2ron h LYS 98 Cb 0.54 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2ron h LYS 98 CO -0.44 -0.30 -0.00 1.25 -3.45 0.00 0.00 179.45 176.51 2ron h LEU 99 N -0.46 0.00 0.23 5.20 6.46 -0.96 0.30 115.31 126.07 2ron h LEU 99 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2ron h LEU 99 Cb 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 2ron h LEU 99 CO -0.19 0.00 -0.11 -0.08 -0.62 0.00 0.00 178.44 177.45 2ron h GLU 100 N 0.00 -0.29 0.00 1.25 4.81 0.97 -1.84 114.58 119.48 2ron h GLU 100 Ca -0.00 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2ron h GLU 100 Cb 0.01 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ron h GLU 100 CO 0.00 -0.19 -0.22 0.07 -0.73 0.00 0.00 179.01 177.94 2ron h ARG 101 N -0.42 0.00 -0.72 1.92 0.11 -0.99 -2.02 114.38 112.26 2ron h ARG 101 Ca -0.03 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 2ron h ARG 101 Cb 0.23 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.28 2ron h ARG 101 CO 0.05 0.22 0.22 0.93 0.10 0.00 0.00 179.97 181.49 2ron h GLU 102 N 0.00 1.13 0.09 0.08 4.39 -0.98 -3.27 114.58 116.02 2ron h GLU 102 Ca -0.00 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 2ron h GLU 102 Cb 0.39 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2ron h GLU 102 CO 0.03 0.97 -0.04 0.78 -1.16 0.00 0.00 179.01 179.58 2ron h GLY 103 N 1.07 -0.13 -6.36 -3.84 0.00 -0.91 -3.46 103.07 89.44 2ron h GLY 103 Ca 0.23 0.05 -0.20 0.00 0.00 0.00 0.00 47.33 47.41 2ron h GLY 103 CO -0.01 -0.05 -0.51 -0.42 0.00 0.00 0.00 176.54 175.56 2ron s ILE 104 N -2.82 -0.34 -0.02 2.60 -1.09 -0.80 -4.93 121.20 113.79 2ron s ILE 104 Ca -0.12 0.24 -0.21 0.00 -2.23 0.00 0.00 60.65 58.34 2ron s ILE 104 Cb -0.00 -0.45 -0.13 0.00 -1.58 0.00 0.00 42.46 40.30 2ron s ILE 104 CO 0.45 0.10 0.90 0.15 -1.23 0.00 0.00 174.94 175.31 2ron h PHE 105 N 8.03 -0.46 -1.46 3.97 3.57 -1.81 -3.39 116.94 125.41 2ron h PHE 105 Ca -0.20 -0.01 -0.41 0.00 3.53 0.00 0.00 57.97 60.87 2ron h PHE 105 Cb 1.12 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 2ron h PHE 105 CO 0.36 -0.15 1.10 -1.25 -2.23 0.00 0.00 178.31 176.14 2ron s PRO 106 N -3.86 2.60 0.26 6.41 0.04 -1.26 -4.96 135.00 134.23 2ron s PRO 106 Ca -0.12 0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.24 2ron s PRO 106 Cb 0.01 -4.67 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 2ron s PRO 106 CO 0.40 -3.00 0.11 -0.65 0.04 0.00 0.00 177.00 173.90 2ron s GLN 107 N 7.02 2.64 0.00 4.56 -0.21 -1.26 -4.87 119.66 127.54 2ron s GLN 107 Ca 0.68 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.84 2ron s GLN 107 Cb -0.10 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.53 2ron s GLN 107 CO 0.12 0.38 0.00 0.00 -2.12 0.00 0.00 175.29 173.66 2ron n ALA 108 N -1.06 0.00 -2.63 6.09 0.00 -1.26 -4.97 120.51 116.69 2ron n ALA 108 Ca -0.07 -0.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 2ron n ALA 108 Cb 0.58 0.00 -0.06 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 -0.42 5.12 -0.15 0.00 -7.23 -1.26 -3.50 120.40 112.95 2ron s VAL 109 Ca 0.00 0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 60.97 2ron s VAL 109 Cb 0.00 -3.78 0.05 0.00 0.56 0.00 0.00 36.38 33.22 2ron s VAL 109 CO 0.00 0.42 0.38 -0.63 -0.31 0.00 0.00 175.10 174.96 2ron s ILE 110 N -0.00 -0.02 -0.05 -0.62 1.01 -0.99 -1.56 121.20 118.97 2ron s ILE 110 Ca 0.25 0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.01 2ron s ILE 110 Cb -0.16 -0.56 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 2ron s ILE 110 CO 0.11 0.03 -0.18 -0.51 0.00 0.00 0.00 174.94 174.39 2ron s ILE 111 N 1.03 1.49 0.30 2.92 -1.16 -1.25 -3.02 121.20 121.51 2ron s ILE 111 Ca -0.07 -0.74 0.11 0.00 -0.51 0.00 0.00 60.65 59.44 2ron s ILE 111 Cb -0.07 -1.28 -0.05 0.00 0.61 0.00 0.00 42.46 41.66 2ron s ILE 111 CO -0.08 0.43 -0.12 -0.44 -2.81 0.00 0.00 174.94 171.91 2ron s SER 112 N 0.11 3.83 0.34 4.50 0.01 -1.09 -3.48 113.70 117.93 2ron s SER 112 Ca -0.06 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.10 2ron s SER 112 Cb -0.13 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.71 2ron s SER 112 CO 0.03 -0.06 0.59 0.00 0.41 0.00 0.00 173.24 174.22 2ron s ALA 113 N -2.51 0.03 -0.97 1.44 0.00 -1.26 -3.03 121.76 115.46 2ron s ALA 113 Ca 0.31 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2ron s ALA 113 Cb -0.03 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 2ron s ALA 113 CO 0.17 -0.88 0.85 -0.89 0.00 0.00 0.00 175.76 175.00 2ron n ILE 114 N -0.52 -7.88 -3.11 0.00 5.41 -1.23 -4.70 119.36 107.33 2ron n ILE 114 Ca -0.03 -1.09 -0.43 0.00 1.00 0.00 0.00 62.75 62.20 2ron n ILE 114 Cb 0.61 -5.94 -0.07 0.00 -0.71 0.00 0.00 39.64 33.53 2ron n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2ron s GLN 115 N -4.44 3.24 0.96 0.38 1.11 -1.25 -4.49 119.66 115.18 2ron s GLN 115 Ca 0.34 -0.49 -0.12 0.00 0.01 0.00 0.00 55.36 55.10 2ron s GLN 115 Cb -0.04 -3.99 0.17 0.00 -1.01 0.00 0.00 33.01 28.13 2ron s GLN 115 CO 0.67 -1.09 1.09 -1.25 0.01 0.00 0.00 175.29 174.72 2ron s PRO 116 N 2.84 0.71 0.31 2.91 0.04 -1.26 -2.54 135.00 138.00 2ron s PRO 116 Ca 0.21 0.63 0.09 0.00 0.04 0.00 0.00 61.00 61.97 2ron s PRO 116 Cb -0.15 -1.76 0.48 0.00 0.04 0.00 0.00 34.50 33.11 2ron s PRO 116 CO 0.17 -2.57 1.70 -1.00 0.04 0.00 0.00 177.00 175.34 2ron h PRO 117 N -1.78 0.10 -6.93 0.56 0.13 -1.94 -3.41 132.00 118.73 2ron h PRO 117 Ca -0.53 -0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.02 2ron h PRO 117 Cb 1.31 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.53 2ron h PRO 117 CO 0.56 0.56 0.64 -3.38 -0.23 0.00 0.00 178.00 176.15 2ron s HIS 118 N -3.96 2.84 0.12 1.56 -3.43 -1.26 -4.90 115.29 106.26 2ron s HIS 118 Ca -0.03 1.38 0.04 0.00 -0.80 0.00 0.00 55.06 55.65 2ron s HIS 118 Cb 0.13 -3.72 -0.04 0.00 -1.43 0.00 0.00 32.58 27.52 2ron s HIS 118 CO 0.76 -2.16 -0.09 0.42 -2.00 0.00 0.00 174.74 171.67 2ron s ILE 119 N -1.21 0.99 -0.12 -5.38 1.09 -1.26 -4.46 121.20 110.85 2ron s ILE 119 Ca 0.54 -1.91 -0.29 0.00 -1.10 0.00 0.00 60.65 57.89 2ron s ILE 119 Cb -0.40 -1.67 -0.06 0.00 -1.06 0.00 0.00 42.46 39.27 2ron s ILE 119 CO 0.52 -0.72 2.04 -1.58 -0.10 0.00 0.00 174.94 175.09 2ron s GLN 120 N -3.49 3.63 -0.32 2.79 -0.44 -1.26 -4.79 119.66 115.77 2ron s GLN 120 Ca 0.12 2.22 -0.36 0.00 -2.50 0.00 0.00 55.36 54.84 2ron s GLN 120 Cb 0.02 -4.24 -0.12 0.00 -1.64 0.00 0.00 33.01 27.03 2ron s GLN 120 CO -0.01 -1.53 2.14 2.89 0.50 0.00 0.00 175.29 179.27 2ron n ARG 121 N 8.12 1.16 -3.82 1.67 1.85 -1.26 -4.87 116.66 119.50 2ron n ARG 121 Ca 0.24 0.33 -0.09 0.00 -1.00 0.00 0.00 57.85 57.34 2ron n ARG 121 Cb 0.43 -2.45 0.02 0.00 -1.05 0.00 0.00 32.46 29.42 2ron n ARG 121 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2ron s LYS 122 N 5.87 2.23 0.08 2.89 -2.85 -1.26 -5.08 119.74 121.63 2ron s LYS 122 Ca 1.08 -1.47 -0.21 0.00 -1.00 0.00 0.00 55.97 54.37 2ron s LYS 122 Cb -0.86 0.62 -0.07 0.00 -2.06 0.00 0.00 37.83 35.46 2ron s LYS 122 CO 0.50 -1.04 0.63 0.15 0.10 0.00 0.00 175.35 175.69 2ron s LYS 123 N -2.31 4.32 -0.02 1.78 3.01 -1.26 -4.41 119.74 120.85 2ron s LYS 123 Ca 0.16 0.85 -0.07 0.00 -1.01 0.00 0.00 55.97 55.91 2ron s LYS 123 Cb -0.05 -3.26 0.01 0.00 -1.01 0.00 0.00 37.83 33.51 2ron s LYS 123 CO 0.12 0.57 0.15 0.08 0.51 0.00 0.00 175.35 176.78 2ron s VAL 124 N -0.94 0.06 -0.33 3.17 1.01 -1.26 -5.04 120.40 117.06 2ron s VAL 124 Ca 0.31 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.90 2ron s VAL 124 Cb -0.20 -0.37 0.72 0.00 0.00 0.00 0.00 36.38 36.52 2ron s VAL 124 CO 0.21 -0.26 1.79 -1.20 0.00 0.00 0.00 175.10 175.63 2ron n SER 125 N 1.92 4.52 0.00 3.32 7.64 -1.26 -4.59 113.62 125.17 2ron n SER 125 Ca -0.20 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.38 2ron n SER 125 Cb 0.57 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2ron n SER 125 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2ron n HIS 126 N -0.36 0.00 -4.38 1.43 -0.00 -1.26 -5.00 115.22 105.65 2ron n HIS 126 Ca 0.42 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.91 2ron n HIS 126 Cb 1.39 -0.40 -0.09 0.00 -0.00 0.00 0.00 29.99 30.89 2ron n HIS 126 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2ron s LEU 127 N -4.18 2.88 0.00 0.27 2.01 -1.26 -5.01 118.68 113.39 2ron s LEU 127 Ca 0.00 -0.83 0.14 0.00 0.01 0.00 0.00 54.13 53.45 2ron s LEU 127 Cb 0.00 -1.40 0.66 0.00 0.01 0.00 0.00 46.19 45.45 2ron s LEU 127 CO 0.00 0.03 1.44 -0.81 1.01 0.00 0.00 176.35 178.02 2ron n PRO 128 N -0.71 0.07 -0.41 1.29 -0.04 -1.26 -2.29 135.00 131.66 2ron n PRO 128 Ca -0.06 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2ron n PRO 128 Cb 0.59 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.43 1.94 -0.08 3.54 8.00 -1.26 -4.81 116.55 122.45 2ron n ASP 129 Ca 0.05 -3.57 -0.07 0.00 0.71 0.00 0.00 54.79 51.90 2ron n ASP 129 Cb 0.15 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 2ron n ASP 129 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2ron h ASP 130 N 0.61 -0.77 -0.21 -2.24 2.03 -1.77 0.08 116.42 114.16 2ron h ASP 130 Ca -0.00 0.15 -0.06 0.00 -0.73 0.00 0.00 57.03 56.39 2ron h ASP 130 Cb 1.01 0.38 -0.02 0.00 -0.83 0.00 0.00 39.33 39.87 2ron h ASP 130 CO 0.00 -0.26 -0.04 0.06 -1.03 0.00 0.00 179.24 177.97 2ron h GLN 131 N -0.20 0.53 0.17 4.15 -0.00 -1.87 -1.44 115.11 116.45 2ron h GLN 131 Ca 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.68 2ron h GLN 131 Cb 0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 2ron h GLN 131 CO -0.44 0.59 -0.08 0.74 -0.00 0.00 0.00 178.83 179.64 2ron h PHE 132 N 0.51 -0.21 -0.10 0.06 0.04 -1.45 -2.10 116.94 113.68 2ron h PHE 132 Ca 0.10 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.90 2ron h PHE 132 Cb 0.39 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 2ron h PHE 132 CO 0.01 -0.13 0.18 1.37 -0.60 0.00 0.00 178.31 179.15 2ron h LEU 133 N -0.24 0.00 0.38 1.54 8.10 -1.10 0.77 115.31 124.76 2ron h LEU 133 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 2ron h LEU 133 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 2ron h LEU 133 CO 0.04 0.00 -0.18 0.44 -4.11 0.00 0.00 178.44 174.62 2ron h ASP 134 N 0.00 -0.44 0.64 0.17 3.32 -1.05 -1.81 116.42 117.25 2ron h ASP 134 Ca 0.05 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 2ron h ASP 134 Cb 0.42 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2ron h ASP 134 CO -0.00 -0.11 -0.77 1.12 -1.72 0.00 0.00 179.24 177.76 2ron h HIS 135 N -0.79 0.14 -0.55 4.55 2.07 -0.72 -3.18 115.15 116.66 2ron h HIS 135 Ca -0.05 -0.07 -0.03 0.00 -2.85 0.00 0.00 60.37 57.36 2ron h HIS 135 Cb 0.53 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.46 2ron h HIS 135 CO 0.01 0.83 0.20 0.82 -3.07 0.00 0.00 177.93 176.72 2ron h ILE 136 N 0.06 1.21 -7.04 6.12 1.08 -0.88 -3.46 117.51 114.60 2ron h ILE 136 Ca -0.02 -0.67 -0.60 0.00 -0.39 0.00 0.00 64.86 63.17 2ron h ILE 136 Cb 1.36 0.57 -0.33 0.00 -3.07 0.00 0.00 36.82 35.35 2ron h ILE 136 CO 0.11 0.26 -0.89 2.30 -0.69 0.00 0.00 178.15 179.24 2ron n ILE 137 N -4.32 -0.24 -0.03 -0.67 -5.35 -0.68 -4.79 119.36 103.27 2ron n ILE 137 Ca 0.04 -0.12 -0.05 0.00 -0.27 0.00 0.00 62.75 62.36 2ron n ILE 137 Cb 0.18 -0.60 -0.02 0.00 -1.74 0.00 0.00 39.64 37.46 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 -4.06 0.27 -2.59 6.28 7.27 -1.26 -4.39 117.38 118.90 2ron n GLN 138 Ca 0.01 0.11 -0.18 0.00 0.07 0.00 0.00 57.00 57.00 2ron n GLN 138 Cb 0.49 -0.93 -0.00 0.00 2.41 0.00 0.00 30.24 32.21 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 -3.79 -1.68 0.00 1.69 7.99 -1.26 -2.02 117.00 117.93 2ron n LEU 139 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.93 2ron n LEU 139 Cb 0.26 -2.54 0.00 0.00 -0.11 0.00 0.00 43.42 41.03 2ron n LEU 139 CO 0.11 -0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.51 2ron n GLY 140 N -1.01 1.58 0.00 -0.72 0.00 -1.26 -4.69 105.19 99.09 2ron n GLY 140 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.37 2.58 -0.02 0.00 -0.86 -5.12 105.19 102.14 2ron n GLY 141 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 0.79 -0.68 1.61 0.00 -1.22 -5.03 119.30 114.77 2ron s MET 142 Ca 0.00 -1.48 -0.26 0.00 0.00 0.00 0.00 55.69 53.95 2ron s MET 142 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 34.83 33.10 2ron s MET 142 CO 0.00 -1.16 1.88 -1.25 0.00 0.00 0.00 175.02 174.49 2ron s PRO 143 N 0.95 2.60 -0.30 4.11 0.04 -1.26 -4.72 135.00 136.43 2ron s PRO 143 Ca 0.17 0.40 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 2ron s PRO 143 Cb -0.23 -4.55 0.16 0.00 0.04 0.00 0.00 34.50 29.93 2ron s PRO 143 CO -0.04 -2.89 0.98 0.00 0.04 0.00 0.00 177.00 175.09 2ron s ALA 144 N 9.34 -2.62 0.00 8.56 0.00 -1.26 -5.04 121.76 130.73 2ron s ALA 144 Ca 0.68 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.72 2ron s ALA 144 Cb -0.11 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.02 2ron s ALA 144 CO 0.16 -0.85 0.00 0.39 0.00 0.00 0.00 175.76 175.45 2ron n GLU 145 N 4.77 2.22 -0.43 0.00 1.02 -1.26 -4.78 120.64 122.18 2ron n GLU 145 Ca -0.11 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.11 2ron n GLU 145 Cb 0.53 -0.71 0.24 0.00 -0.02 0.00 0.00 31.44 31.49 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 -0.97 3.74 0.00 -4.62 -0.00 -1.26 -4.41 117.00 109.48 2ron n LEU 146 Ca 0.00 -3.10 0.00 0.00 -0.00 0.00 0.00 56.01 52.91 2ron n LEU 146 Cb 0.14 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 2ron n LEU 146 CO 0.00 0.73 0.17 1.33 -0.00 0.00 0.00 177.39 179.61 2ron n VAL 147 N -0.68 0.08 0.11 1.47 0.24 -1.26 -4.75 118.33 113.53 2ron n VAL 147 Ca 0.22 -0.30 -0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2ron n VAL 147 Cb 0.88 1.37 0.29 0.00 -1.47 0.00 0.00 33.84 34.92 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 0.23 0.41 7.34 4.11 -1.87 -2.20 114.58 122.60 2ron h GLU 148 Ca 0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 2ron h GLU 148 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2ron h GLU 148 CO 0.00 0.51 -0.20 -0.91 0.07 0.00 0.00 179.01 178.48 2ron h ASN 149 N 0.20 -0.46 -0.82 3.06 4.21 -1.90 -2.21 115.58 117.67 2ron h ASN 149 Ca 0.03 0.02 0.19 0.00 1.21 0.00 0.00 56.30 57.75 2ron h ASN 149 Cb 0.63 0.12 -0.05 0.00 -1.12 0.00 0.00 38.32 37.90 2ron h ASN 149 CO 0.05 -0.25 0.55 0.07 -1.29 0.00 0.00 177.43 176.56 2ron h LYS 150 N -0.70 0.29 -0.11 0.81 2.10 -1.89 0.28 116.57 117.34 2ron h LYS 150 Ca -0.06 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.50 2ron h LYS 150 Cb 0.42 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2ron h LYS 150 CO 0.09 0.19 -0.27 0.93 -2.00 0.00 0.00 179.45 178.39 2ron h GLU 151 N 0.30 0.20 -0.01 0.07 5.08 -1.35 0.26 114.58 119.14 2ron h GLU 151 Ca 0.41 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.56 2ron h GLU 151 Cb 1.15 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2ron h GLU 151 CO -0.11 0.46 -0.69 0.28 -1.00 0.00 0.00 179.01 177.95 2ron h VAL 152 N 0.18 1.48 -0.12 3.13 2.07 0.19 0.38 116.25 123.56 2ron h VAL 152 Ca 0.03 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2ron h VAL 152 Cb 0.58 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2ron h VAL 152 CO 0.04 0.67 0.00 0.23 0.02 0.00 0.00 177.57 178.53 2ron n MET 153 N -3.74 2.37 0.00 1.57 2.81 -0.98 -4.19 117.12 114.97 2ron n MET 153 Ca -0.01 -2.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.86 2ron n MET 153 Cb 0.68 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 2ron n MET 153 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2ron n SER 154 N 1.38 0.00 0.09 7.83 7.64 0.89 -4.58 113.62 126.88 2ron n SER 154 Ca 0.15 0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.24 2ron n SER 154 Cb 0.60 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.52 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 -4.72 1.43 -1.00 -0.51 -3.42 116.94 108.71 2ron h PHE 155 Ca 0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 2ron h PHE 155 Cb 0.00 0.00 0.09 0.00 3.61 0.00 0.00 35.95 39.65 2ron h PHE 155 CO 0.00 0.00 -0.37 0.34 -1.61 0.00 0.00 178.31 176.67 2ron n PHE 156 N -3.59 -1.90 -1.02 -0.55 -0.00 0.55 -4.18 117.46 106.76 2ron n PHE 156 Ca 0.08 0.69 -0.35 0.00 -0.00 0.00 0.00 57.45 57.87 2ron n PHE 156 Cb 0.68 -3.54 0.09 0.00 -0.00 0.00 0.00 39.48 36.70 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 -2.25 -0.74 -1.89 -2.13 -0.00 -1.24 -4.56 117.00 104.18 2ron n LEU 157 Ca -0.03 0.42 -0.02 0.00 -0.00 0.00 0.00 56.01 56.39 2ron n LEU 157 Cb 0.55 -1.14 -0.02 0.00 -0.00 0.00 0.00 43.42 42.81 2ron n LEU 157 CO 0.40 -3.81 0.63 -0.81 -0.00 0.00 0.00 177.39 173.81 2ron n PRO 158 N -0.62 0.61 -3.78 1.47 -0.04 -1.26 -4.55 135.00 126.83 2ron n PRO 158 Ca 0.07 -0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 2ron n PRO 158 Cb 0.52 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.14 3.88 0.00 3.54 0.15 -1.26 -4.94 113.70 117.21 2ron s SER 159 Ca 0.09 -2.62 -0.02 0.00 0.70 0.00 0.00 55.95 54.10 2ron s SER 159 Cb 0.04 -1.19 -0.01 0.00 -1.71 0.00 0.00 66.02 63.15 2ron s SER 159 CO 0.00 -0.27 0.72 -0.26 1.20 0.00 0.00 173.24 174.62 2ron h PHE 160 N 6.81 -0.05 -1.00 3.44 -1.00 -1.98 -1.94 116.94 121.22 2ron h PHE 160 Ca -0.04 -0.00 0.36 0.00 2.81 0.00 0.00 57.97 61.10 2ron h PHE 160 Cb 0.93 0.02 -0.18 0.00 3.61 0.00 0.00 35.95 40.33 2ron h PHE 160 CO 0.48 -0.03 0.35 0.07 -1.61 0.00 0.00 178.31 177.56 2ron h ARG 161 N -0.07 0.01 0.00 1.51 0.11 -1.97 0.56 114.38 114.53 2ron h ARG 161 Ca -0.01 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2ron h ARG 161 Cb 0.04 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2ron h ARG 161 CO 0.01 0.01 0.00 0.43 0.10 0.00 0.00 179.97 180.52 2ron n SER 162 N -5.34 0.00 -0.07 0.08 7.64 -1.22 -1.87 113.62 112.84 2ron n SER 162 Ca 0.32 0.79 -0.09 0.00 1.01 0.00 0.00 58.87 60.90 2ron n SER 162 Cb 1.08 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.90 2ron n SER 162 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2ron h ASP 163 N 0.00 -1.03 -0.89 6.43 3.32 -0.58 0.99 116.42 124.67 2ron h ASP 163 Ca 0.00 0.17 0.23 0.00 0.02 0.00 0.00 57.03 57.45 2ron h ASP 163 Cb 0.00 0.47 -0.16 0.00 0.22 0.00 0.00 39.33 39.86 2ron h ASP 163 CO 0.00 -0.33 0.05 1.88 -1.72 0.00 0.00 179.24 179.12 2ron h TYR 164 N -0.31 0.01 -0.30 4.55 -1.99 0.01 0.86 116.97 119.80 2ron h TYR 164 Ca 0.14 0.06 -0.18 0.00 2.00 0.00 0.00 58.73 60.75 2ron h TYR 164 Cb 0.54 0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.40 2ron h TYR 164 CO -0.48 -0.32 -0.53 0.00 -0.00 0.00 0.00 178.16 176.83 2ron h ARG 165 N 0.08 0.88 0.00 4.88 3.08 -0.46 -0.98 114.38 121.86 2ron h ARG 165 Ca 0.52 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2ron h ARG 165 Cb 1.01 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2ron h ARG 165 CO -0.79 1.19 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 2ron n ALA 166 N -2.57 2.47 -0.08 0.04 0.00 0.12 0.54 120.51 121.03 2ron n ALA 166 Ca -0.04 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 2ron n ALA 166 Cb 0.62 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 2ron n ALA 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ron n LEU 167 N -1.05 1.53 0.00 0.00 -0.00 0.26 -4.82 117.00 112.92 2ron n LEU 167 Ca 0.19 0.26 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 2ron n LEU 167 Cb 0.11 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 2ron n LEU 167 CO 0.16 0.09 0.05 -1.84 -0.00 0.00 0.00 177.39 175.86 2ron n GLU 168 N -4.02 4.18 -3.92 1.96 0.00 -0.40 -5.03 120.64 113.41 2ron n GLU 168 Ca -0.28 -0.11 -0.27 0.00 0.00 0.00 0.00 57.16 56.50 2ron n GLU 168 Cb 0.62 -0.55 -0.01 0.00 0.00 0.00 0.00 31.44 31.50 2ron n GLU 168 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2ron n GLN 169 N -0.63 -2.74 -0.01 3.44 7.27 0.19 -4.87 117.38 120.03 2ron n GLN 169 Ca 0.00 0.39 -0.01 0.00 0.07 0.00 0.00 57.00 57.45 2ron n GLN 169 Cb 0.01 -4.35 -0.01 0.00 2.41 0.00 0.00 30.24 28.30 2ron n GLN 169 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2ron n PHE 170 N -4.40 0.00 -1.71 3.69 7.35 -1.26 -5.00 117.46 116.14 2ron n PHE 170 Ca -0.27 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 55.99 2ron n PHE 170 Cb 0.67 -0.09 -0.03 0.00 0.35 0.00 0.00 39.48 40.38 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 -2.41 2.63 -3.64 -4.13 -0.58 -1.26 -5.00 120.64 106.26 2ron n GLU 171 Ca -0.04 0.95 -0.24 0.00 -0.42 0.00 0.00 57.16 57.41 2ron n GLU 171 Cb 0.55 -2.78 0.02 0.00 -0.57 0.00 0.00 31.44 28.66 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 1.09 2.79 0.55 -4.62 1.43 -1.26 -4.82 118.68 113.84 2ron s LEU 172 Ca 0.76 -1.15 0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2ron s LEU 172 Cb -0.55 -1.28 1.46 0.00 0.03 0.00 0.00 46.19 45.86 2ron s LEU 172 CO 0.34 -1.21 1.92 0.10 0.23 0.00 0.00 176.35 177.73 2ron h TYR 173 N 0.55 0.00 -3.45 0.29 -0.00 -2.01 -3.34 116.97 109.00 2ron h TYR 173 Ca -0.34 0.00 -0.72 0.00 0.00 0.00 0.00 58.73 57.66 2ron h TYR 173 Cb 1.30 0.00 -0.21 0.00 0.00 0.00 0.00 36.73 37.82 2ron h TYR 173 CO 0.83 0.00 -0.41 0.34 -0.00 0.00 0.00 178.16 178.93 2ron s ASP 174 N -5.66 6.11 0.00 0.10 2.15 -1.26 -4.86 116.67 113.25 2ron s ASP 174 Ca -0.05 -1.01 0.02 0.00 0.43 0.00 0.00 52.55 51.93 2ron s ASP 174 Cb 0.19 -2.16 -0.01 0.00 -0.30 0.00 0.00 42.92 40.64 2ron s ASP 174 CO 0.70 -0.50 0.16 0.00 -0.17 0.00 0.00 175.17 175.37 2ron n LEU 175 N 5.17 0.29 -4.65 -1.34 -0.00 -1.26 -5.05 117.00 110.16 2ron n LEU 175 Ca -0.11 -0.60 -0.29 0.00 -0.00 0.00 0.00 56.01 55.01 2ron n LEU 175 Cb 0.46 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 44.06 2ron n LEU 175 CO 0.42 0.07 0.62 0.00 -0.00 0.00 0.00 177.39 178.51 2ron s ALA 176 N -0.94 0.80 -0.81 1.47 0.00 -1.26 -4.35 121.76 116.68 2ron s ALA 176 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 2ron s ALA 176 Cb 0.01 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2ron s ALA 176 CO 0.05 -2.94 0.71 1.04 0.00 0.00 0.00 175.76 174.62 2ron n GLN 177 N -4.27 -2.00 -3.74 0.00 6.02 -1.20 -4.99 117.38 107.21 2ron n GLN 177 Ca 0.05 0.66 -0.18 0.00 -0.01 0.00 0.00 57.00 57.53 2ron n GLN 177 Cb 0.56 -4.84 -0.17 0.00 1.02 0.00 0.00 30.24 26.81 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 -3.30 -0.04 -0.30 5.09 -1.09 -1.26 -5.06 121.20 115.24 2ron s ILE 178 Ca 0.32 0.30 -0.14 0.00 -2.23 0.00 0.00 60.65 58.91 2ron s ILE 178 Cb -0.04 -0.15 0.16 0.00 -1.58 0.00 0.00 42.46 40.85 2ron s ILE 178 CO 0.57 0.14 0.92 -1.58 -1.23 0.00 0.00 174.94 173.76 2ron s GLN 179 N 1.62 0.35 0.01 2.79 0.74 -1.26 -2.66 119.66 121.24 2ron s GLN 179 Ca -0.02 0.85 0.00 0.00 0.05 0.00 0.00 55.36 56.24 2ron s GLN 179 Cb -0.13 0.51 0.00 0.00 1.10 0.00 0.00 33.01 34.49 2ron s GLN 179 CO -0.03 -0.14 0.00 0.43 -0.55 0.00 0.00 175.29 175.00 2ron n SER 180 N 5.10 -0.10 -2.98 6.67 7.64 -1.26 -4.79 113.62 123.90 2ron n SER 180 Ca -0.09 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2ron n SER 180 Cb 0.52 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 64.21 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 -2.75 -0.07 -4.76 1.43 -0.04 -1.26 -4.00 135.00 123.54 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 -0.53 1.79 -0.00 0.52 1.01 -1.23 -2.03 120.40 119.93 2ron s VAL 182 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2ron s VAL 182 Cb 0.00 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 2ron s VAL 182 CO 0.00 0.50 -0.04 -1.00 0.00 0.00 0.00 175.10 174.56 2ron s HIS 183 N 0.71 0.35 -0.06 5.22 3.76 -0.91 -2.34 115.29 122.01 2ron s HIS 183 Ca -0.11 -0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 54.71 2ron s HIS 183 Cb -0.16 -0.22 0.03 0.00 1.11 0.00 0.00 32.58 33.34 2ron s HIS 183 CO 0.02 -0.01 0.03 0.08 -0.85 0.00 0.00 174.74 174.01 2ron s VAL 184 N -0.09 0.16 0.09 -0.90 1.01 -1.17 -3.54 120.40 115.96 2ron s VAL 184 Ca 0.01 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 2ron s VAL 184 Cb -0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 2ron s VAL 184 CO -0.00 0.22 0.35 -0.36 0.00 0.00 0.00 175.10 175.31 2ron s PHE 185 N 2.04 3.53 -0.02 5.22 0.08 0.18 -2.66 117.98 126.34 2ron s PHE 185 Ca 0.05 0.60 -0.21 0.00 0.12 0.00 0.00 56.93 57.48 2ron s PHE 185 Cb -0.12 -2.03 0.04 0.00 -0.57 0.00 0.00 43.02 40.35 2ron s PHE 185 CO -0.04 0.50 0.46 1.21 -0.10 0.00 0.00 175.22 177.25 2ron s ASN 186 N -2.11 -0.38 0.00 1.36 3.84 -1.17 -1.41 114.94 115.08 2ron s ASN 186 Ca 0.36 0.30 0.00 0.00 0.21 0.00 0.00 52.86 53.72 2ron s ASN 186 Cb -0.13 0.41 0.00 0.00 -0.55 0.00 0.00 41.25 40.98 2ron s ASN 186 CO 0.21 -0.54 0.00 0.61 -2.79 0.00 0.00 177.10 174.59 2ron n GLY 187 N 1.00 0.50 3.73 1.21 0.00 -0.50 -3.76 105.19 107.38 2ron n GLY 187 Ca -0.20 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.64 0.01 0.99 -0.00 -1.05 -3.03 117.00 113.27 2ron n LEU 188 Ca 0.00 -0.88 0.07 0.00 -0.00 0.00 0.00 56.01 55.20 2ron n LEU 188 Cb 0.00 -1.10 0.33 0.00 -0.00 0.00 0.00 43.42 42.65 2ron n LEU 188 CO 0.00 0.27 0.74 0.47 -0.00 0.00 0.00 177.39 178.87 2ron n ASP 189 N -1.81 0.05 0.00 1.45 9.92 -1.26 -3.25 116.55 121.65 2ron n ASP 189 Ca -0.16 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 2ron n ASP 189 Cb 0.45 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 2ron n ASP 189 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2ron n ASP 190 N -1.55 0.00 -4.66 -2.24 9.92 -1.26 -0.09 116.55 116.67 2ron n ASP 190 Ca 0.03 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.94 2ron n ASP 190 Cb 0.18 -0.27 -0.09 0.00 -0.64 0.00 0.00 41.12 40.29 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 -0.75 4.05 -0.09 -1.24 2.20 -1.26 -3.11 119.74 119.54 2ron s LYS 191 Ca 0.00 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.39 2ron s LYS 191 Cb 0.00 -3.42 -0.10 0.00 -1.51 0.00 0.00 37.83 32.80 2ron s LYS 191 CO 0.00 0.15 0.02 1.17 -0.36 0.00 0.00 175.35 176.33 2ron n LYS 192 N 3.97 2.47 0.05 4.03 4.81 -1.26 -4.55 118.16 127.68 2ron n LYS 192 Ca -0.16 -0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.42 2ron n LYS 192 Cb 0.52 -1.22 0.61 0.00 0.02 0.00 0.00 35.03 34.97 2ron n LYS 192 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ron h ILE 194 N 0.13 1.27 -0.16 0.00 2.10 -1.99 -1.04 117.51 117.82 2ron h ILE 194 Ca 0.18 -1.30 -0.03 0.00 1.08 0.00 0.00 64.86 64.80 2ron h ILE 194 Cb 0.55 1.11 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 2ron h ILE 194 CO -0.02 0.44 0.00 -0.09 -1.08 0.00 0.00 178.15 177.40 2ron h ARG 195 N 0.77 0.28 -0.30 2.19 9.65 -1.41 0.24 114.38 125.80 2ron h ARG 195 Ca 0.11 -0.09 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 2ron h ARG 195 Cb 0.70 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 2ron h ARG 195 CO 0.05 0.50 -0.11 0.22 2.80 0.00 0.00 179.97 183.43 2ron h ASP 196 N 0.03 0.49 0.09 -3.80 3.58 -1.42 0.35 116.42 115.73 2ron h ASP 196 Ca 0.05 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 2ron h ASP 196 Cb 0.37 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2ron h ASP 196 CO 0.01 0.64 -0.04 0.00 -2.88 0.00 0.00 179.24 176.97 2ron h ALA 197 N 1.41 -0.24 0.00 -0.78 0.00 -1.05 -2.00 119.26 116.60 2ron h ALA 197 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ron h ALA 197 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ron h ALA 197 CO 0.03 -0.24 0.00 0.93 0.00 0.00 0.00 179.25 179.97 2ron h GLU 198 N -0.43 0.00 0.14 0.00 4.39 -0.60 0.18 114.58 118.26 2ron h GLU 198 Ca -0.01 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 2ron h GLU 198 Cb 0.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2ron h GLU 198 CO 0.02 0.00 -1.26 0.78 -1.16 0.00 0.00 179.01 177.39 2ron h GLY 199 N 0.50 0.34 1.50 -3.84 0.00 -0.38 -3.35 103.07 97.85 2ron h GLY 199 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2ron h GLY 199 CO 0.00 0.77 -0.40 -0.25 0.00 0.00 0.00 176.54 176.66 2ron h TRP 200 N -0.26 0.00 -0.71 5.60 2.91 -0.90 -3.32 115.95 119.27 2ron h TRP 200 Ca -0.25 0.00 0.12 0.00 1.13 0.00 0.00 58.89 59.89 2ron h TRP 200 Cb 1.79 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 30.39 2ron h TRP 200 CO 0.15 0.00 0.47 1.57 -1.03 0.00 0.00 178.44 179.60 2ron h LYS 201 N 0.00 0.45 0.00 2.65 5.09 -0.79 0.24 116.57 124.22 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 0.80 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.02 2ron h LYS 201 CO 0.00 0.30 -0.45 0.36 -2.09 0.00 0.00 179.45 177.57 2ron n LYS 202 N -4.48 0.10 -1.90 0.07 2.85 -1.25 -4.92 118.16 108.63 2ron n LYS 202 Ca 0.13 0.03 -0.12 0.00 -1.05 0.00 0.00 58.31 57.30 2ron n LYS 202 Cb 0.44 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 33.22 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 -1.71 -0.93 -4.28 5.58 7.02 0.85 -3.22 117.44 120.76 2ron n TRP 203 Ca 0.05 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.19 2ron n TRP 203 Cb 0.37 -2.58 -0.13 0.00 -2.42 0.00 0.00 31.31 26.56 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 -2.31 2.96 -0.24 6.99 0.00 -1.26 -4.53 121.76 123.36 2ron s ALA 204 Ca 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2ron s ALA 204 Cb 0.00 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.58 2ron s ALA 204 CO 0.00 0.03 0.05 -1.59 0.00 0.00 0.00 175.76 174.25 2ron s LYS 205 N 0.68 0.79 1.03 0.00 -2.85 -1.09 -4.93 119.74 113.39 2ron s LYS 205 Ca -0.02 -0.74 -0.16 0.00 -1.00 0.00 0.00 55.97 54.06 2ron s LYS 205 Cb -0.14 -2.11 0.06 0.00 -2.06 0.00 0.00 37.83 33.58 2ron s LYS 205 CO 0.02 -0.77 0.17 -0.25 0.10 0.00 0.00 175.35 174.62 2ron n ASP 206 N 4.93 -2.32 -0.05 0.03 8.00 -1.26 -4.60 116.55 121.29 2ron n ASP 206 Ca -0.07 0.11 0.25 0.00 0.71 0.00 0.00 54.79 55.79 2ron n ASP 206 Cb 0.45 -1.07 0.71 0.00 -0.02 0.00 0.00 41.12 41.18 2ron n ASP 206 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2ron h ILE 207 N -1.78 0.38 -2.64 0.53 -0.00 -1.54 -3.29 117.51 109.16 2ron h ILE 207 Ca -0.48 0.00 -0.53 0.00 -0.00 0.00 0.00 64.86 63.85 2ron h ILE 207 Cb 1.32 0.53 -0.39 0.00 -0.00 0.00 0.00 36.82 38.29 2ron h ILE 207 CO 0.36 0.00 -0.79 -0.89 -0.00 0.00 0.00 178.15 176.83 2ron s THR 208 N -4.72 -0.03 -0.04 2.19 2.01 -1.25 -5.06 115.64 108.75 2ron s THR 208 Ca -0.04 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.90 2ron s THR 208 Cb 0.17 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2ron s THR 208 CO 0.62 -0.80 -0.11 0.72 -0.69 0.00 0.00 174.62 174.35 2ron s PHE 209 N 1.73 2.78 -0.30 4.92 -0.71 -1.24 -2.15 117.98 123.00 2ron s PHE 209 Ca 0.13 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 55.87 2ron s PHE 209 Cb -0.18 -1.63 0.17 0.00 -1.21 0.00 0.00 43.02 40.16 2ron s PHE 209 CO -0.22 0.26 0.63 -1.58 -1.34 0.00 0.00 175.22 172.98 2ron s HIS 210 N -0.82 -1.47 0.09 3.49 2.46 -1.23 -5.03 115.29 112.78 2ron s HIS 210 Ca 0.13 1.93 0.01 0.00 0.47 0.00 0.00 55.06 57.60 2ron s HIS 210 Cb -0.11 0.65 -0.04 0.00 -0.13 0.00 0.00 32.58 32.96 2ron s HIS 210 CO 0.02 -0.78 0.22 1.14 -2.47 0.00 0.00 174.74 172.88 2ron s GLN 211 N 2.87 3.40 -0.14 2.88 -2.07 -1.25 -0.65 119.66 124.71 2ron s GLN 211 Ca 0.10 -0.50 -0.00 0.00 -1.82 0.00 0.00 55.36 53.13 2ron s GLN 211 Cb -0.14 -3.00 0.03 0.00 -1.09 0.00 0.00 33.01 28.82 2ron s GLN 211 CO -0.20 0.58 -0.08 0.12 -1.32 0.00 0.00 175.29 174.40 2ron s PHE 212 N -1.57 1.66 -0.04 9.60 2.19 -0.50 -4.93 117.98 124.40 2ron s PHE 212 Ca 0.35 -0.94 0.05 0.00 0.33 0.00 0.00 56.93 56.71 2ron s PHE 212 Cb -0.12 -1.31 -0.03 0.00 -1.31 0.00 0.00 43.02 40.25 2ron s PHE 212 CO 0.28 -0.57 -0.16 0.34 1.83 0.00 0.00 175.22 176.93 2ron s ASP 213 N 1.65 3.86 -0.03 6.13 2.15 -1.26 -1.41 116.67 127.77 2ron s ASP 213 Ca 0.03 -0.26 -0.01 0.00 0.43 0.00 0.00 52.55 52.75 2ron s ASP 213 Cb -0.14 -0.75 -0.00 0.00 -0.30 0.00 0.00 42.92 41.73 2ron s ASP 213 CO -0.08 0.33 -0.02 1.23 -0.17 0.00 0.00 175.17 176.46 2ron h GLY 214 N 5.29 0.00 0.00 2.66 0.00 -1.51 -3.46 103.07 106.04 2ron h GLY 214 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2ron h GLY 214 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2ron n GLY 215 N 1.85 0.74 0.06 4.60 0.00 -1.01 -4.96 105.19 106.47 2ron n GLY 215 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 0.87 -4.16 115.22 121.22 2ron n HIS 216 Ca 0.00 -0.24 -0.30 0.00 -0.26 0.00 0.00 57.72 56.92 2ron n HIS 216 Cb 0.00 -0.03 0.22 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.27 -1.77 0.13 -0.41 1.56 -1.18 -4.45 117.12 110.72 2ron n MET 217 Ca 0.01 -0.48 0.19 0.00 -0.27 0.00 0.00 57.70 57.15 2ron n MET 217 Cb 0.45 -2.11 0.77 0.00 2.15 0.00 0.00 33.22 34.49 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 -2.35 0.00 0.00 1.12 3.57 -1.88 -0.31 116.94 117.08 2ron h PHE 218 Ca -0.55 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 60.68 2ron h PHE 218 Cb 1.32 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.02 2ron h PHE 218 CO 0.30 0.00 -1.92 -0.11 -2.23 0.00 0.00 178.31 174.36 2ron n LEU 219 N -3.84 1.66 -0.21 0.59 -0.00 -1.26 -4.03 117.00 109.90 2ron n LEU 219 Ca 0.05 0.13 0.22 0.00 -0.00 0.00 0.00 56.01 56.41 2ron n LEU 219 Cb 0.48 -0.50 0.58 0.00 -0.00 0.00 0.00 43.42 43.98 2ron n LEU 219 CO 0.29 0.46 1.23 -0.07 -0.00 0.00 0.00 177.39 179.30 2ron h LEU 220 N -0.44 0.27 0.00 -1.96 3.38 -1.85 0.28 115.31 114.98 2ron h LEU 220 Ca -0.40 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 2ron h LEU 220 Cb 1.41 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2ron h LEU 220 CO -0.20 0.10 -1.10 -1.28 0.09 0.00 0.00 178.44 176.05 2ron h SER 221 N 0.26 0.00 0.06 -0.43 0.87 -1.21 -3.30 113.55 109.79 2ron h SER 221 Ca 0.45 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.90 2ron h SER 221 Cb 1.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2ron h SER 221 CO -0.12 0.84 -0.34 -0.61 -0.53 0.00 0.00 176.83 176.07 2ron h GLN 222 N 0.00 0.40 -3.92 2.24 5.75 -0.64 -3.37 115.11 115.57 2ron h GLN 222 Ca -0.09 -0.18 -0.68 0.00 -0.15 0.00 0.00 58.65 57.56 2ron h GLN 222 Cb 1.72 -0.01 -0.37 0.00 1.07 0.00 0.00 27.48 29.89 2ron h GLN 222 CO 0.10 0.70 -0.52 -0.08 -2.65 0.00 0.00 178.83 176.37 2ron s THR 223 N -4.32 3.16 0.62 2.39 -1.32 -0.50 -4.93 115.64 110.75 2ron s THR 223 Ca -0.06 -2.73 0.33 0.00 -1.21 0.00 0.00 61.69 58.02 2ron s THR 223 Cb 0.13 -3.14 0.37 0.00 -1.51 0.00 0.00 72.50 68.35 2ron s THR 223 CO 0.79 -0.78 2.17 1.05 -2.21 0.00 0.00 174.62 175.64 2ron h GLU 224 N 7.25 0.00 0.66 7.08 4.11 -1.75 -2.49 114.58 129.44 2ron h GLU 224 Ca -0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 2ron h GLU 224 Cb 0.97 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.23 2ron h GLU 224 CO 0.68 0.00 -0.32 1.49 0.07 0.00 0.00 179.01 180.93 2ron h GLU 225 N 0.00 -0.86 -0.76 1.06 4.81 -1.91 -1.96 114.58 114.96 2ron h GLU 225 Ca 0.04 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2ron h GLU 225 Cb 0.32 0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 2ron h GLU 225 CO -0.00 -0.54 0.34 0.28 -0.73 0.00 0.00 179.01 178.36 2ron h VAL 226 N -0.99 0.73 0.48 0.32 2.07 -1.78 -1.46 116.25 115.62 2ron h VAL 226 Ca -0.09 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2ron h VAL 226 Cb 0.71 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2ron h VAL 226 CO 0.15 0.10 -0.40 0.00 0.02 0.00 0.00 177.57 177.44 2ron h ALA 227 N 1.52 -0.91 -0.91 1.67 0.00 -1.47 -1.56 119.26 117.59 2ron h ALA 227 Ca 0.41 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.33 2ron h ALA 227 Cb 0.56 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2ron h ALA 227 CO -0.36 -1.04 0.59 0.93 0.00 0.00 0.00 179.25 179.37 2ron h GLU 228 N -0.87 0.59 -0.27 0.00 4.39 -0.86 -0.87 114.58 116.70 2ron h GLU 228 Ca -0.05 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2ron h GLU 228 Cb 0.75 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2ron h GLU 228 CO -0.02 0.39 0.12 0.00 -1.16 0.00 0.00 179.01 178.34 2ron h ARG 229 N 0.60 0.39 0.67 2.33 3.08 -0.68 0.25 114.38 121.02 2ron h ARG 229 Ca 0.48 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.44 2ron h ARG 229 Cb 0.91 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2ron h ARG 229 CO -0.22 0.39 -0.36 0.82 -1.07 0.00 0.00 179.97 179.53 2ron h ILE 230 N 0.30 0.27 -0.25 2.04 1.08 -0.20 -2.64 117.51 118.11 2ron h ILE 230 Ca 0.09 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 2ron h ILE 230 Cb 0.13 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2ron h ILE 230 CO -0.01 0.00 0.09 0.15 -0.69 0.00 0.00 178.15 177.69 2ron h PHE 231 N -0.95 0.34 0.24 1.37 3.04 -1.38 -1.83 116.94 117.77 2ron h PHE 231 Ca -0.09 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.85 2ron h PHE 231 Cb 0.75 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 2ron h PHE 231 CO -0.06 0.28 -0.38 0.00 -2.02 0.00 0.00 178.31 176.14 2ron h ALA 232 N 1.76 -0.97 -0.16 2.41 0.00 -0.16 -0.41 119.26 121.73 2ron h ALA 232 Ca 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2ron h ALA 232 Cb 0.09 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2ron h ALA 232 CO -0.01 -1.02 -0.14 0.97 0.00 0.00 0.00 179.25 179.04 2ron h ILE 233 N -0.65 1.19 -0.33 0.00 6.09 -1.40 0.32 117.51 122.74 2ron h ILE 233 Ca -0.03 -0.84 -0.00 0.00 -1.37 0.00 0.00 64.86 62.62 2ron h ILE 233 Cb 0.60 1.23 -0.02 0.00 0.47 0.00 0.00 36.82 39.10 2ron h ILE 233 CO -0.12 0.26 0.19 0.25 -3.07 0.00 0.00 178.15 175.66 2ron h LEU 234 N 0.24 0.39 0.00 2.19 7.12 -0.85 -0.16 115.31 124.23 2ron h LEU 234 Ca 0.05 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2ron h LEU 234 Cb 0.40 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2ron h LEU 234 CO 0.02 0.31 -1.95 -0.46 -0.13 0.00 0.00 178.44 176.23 2ron n ASN 235 N -4.46 0.04 -0.05 1.25 6.94 -0.21 -4.15 115.26 114.62 2ron n ASN 235 Ca 0.02 0.00 0.14 0.00 -0.02 0.00 0.00 54.58 54.72 2ron n ASN 235 Cb 0.09 1.93 0.55 0.00 -2.36 0.00 0.00 39.78 39.98 2ron n ASN 235 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ron n GLN 236 N -2.27 0.35 -0.03 -3.83 6.02 0.11 -4.16 117.38 113.56 2ron n GLN 236 Ca -0.04 -0.11 -0.14 0.00 -0.01 0.00 0.00 57.00 56.70 2ron n GLN 236 Cb 0.57 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.24 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2ron h HIS 237 N 0.27 -1.55 0.00 1.08 2.76 -1.20 -1.56 115.15 114.96 2ron h HIS 237 Ca 0.00 0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 2ron h HIS 237 Cb 0.42 0.70 -0.01 0.00 1.55 0.00 0.00 27.41 30.07 2ron h HIS 237 CO 0.00 -0.53 -0.40 -1.00 -1.30 0.00 0.00 177.93 174.70 2ron h PRO 238 N -0.53 0.00 -4.76 5.26 0.13 -1.88 -3.48 132.00 126.74 2ron h PRO 238 Ca 0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.96 2ron h PRO 238 Cb 0.66 0.00 0.14 0.00 0.13 0.00 0.00 31.00 31.93 2ron h PRO 238 CO -0.46 0.40 -0.60 -0.89 -0.23 0.00 0.00 178.00 176.22 2ron n ILE 239 N -3.81 -5.50 0.00 -3.56 5.41 -0.59 -4.96 119.36 106.35 2ron n ILE 239 Ca -0.01 -0.62 0.00 0.00 1.00 0.00 0.00 62.75 63.12 2ron n ILE 239 Cb 0.47 -4.86 0.00 0.00 -0.71 0.00 0.00 39.64 34.54 2ron n ILE 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ron n ILE 240 N -3.12 0.00 -4.04 1.39 3.06 -1.26 -5.03 119.36 110.35 2ron n ILE 240 Ca -0.15 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 59.74 2ron n ILE 240 Cb 0.61 -0.93 -0.08 0.00 0.54 0.00 0.00 39.64 39.78 2ron n ILE 240 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 2ron s GLN 241 N -1.95 3.46 0.00 9.51 0.74 -1.26 -5.21 119.66 124.94 2ron s GLN 241 Ca 0.00 -0.26 0.16 0.00 0.05 0.00 0.00 55.36 55.31 2ron s GLN 241 Cb 0.00 -3.09 0.93 0.00 1.10 0.00 0.00 33.01 31.95 2ron s GLN 241 CO 0.00 0.63 1.34 -0.35 -0.55 0.00 0.00 175.29 176.36