#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 0.02 -0.05 3.17 0.01 -1.25 -4.87 113.70 110.73 2ron s SER 2 Ca 0.00 -0.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.80 2ron s SER 2 Cb 0.00 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 2ron s SER 2 CO 0.00 -0.63 0.16 -1.10 0.41 0.00 0.00 173.24 172.08 2ron s GLN 3 N -2.98 3.41 -0.28 12.44 -1.52 -1.24 -3.94 119.66 125.55 2ron s GLN 3 Ca -0.02 -0.26 -0.02 0.00 -1.95 0.00 0.00 55.36 53.11 2ron s GLN 3 Cb 0.01 -3.11 0.17 0.00 -0.22 0.00 0.00 33.01 29.85 2ron s GLN 3 CO -0.06 0.71 0.51 -1.17 -0.25 0.00 0.00 175.29 175.03 2ron s LEU 4 N -1.56 -1.08 0.28 2.90 2.96 -1.26 -2.01 118.68 118.91 2ron s LEU 4 Ca 0.22 0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 54.54 2ron s LEU 4 Cb -0.12 1.74 -0.09 0.00 0.50 0.00 0.00 46.19 48.21 2ron s LEU 4 CO 0.12 -0.28 0.80 0.12 -1.32 0.00 0.00 176.35 175.79 2ron s PHE 5 N 2.73 3.58 -0.03 5.38 5.36 -0.17 -4.93 117.98 129.90 2ron s PHE 5 Ca 0.17 1.47 -0.30 0.00 -0.96 0.00 0.00 56.93 57.31 2ron s PHE 5 Cb -0.15 -2.69 0.07 0.00 -0.34 0.00 0.00 43.02 39.90 2ron s PHE 5 CO -0.19 0.23 0.67 -1.59 -1.46 0.00 0.00 175.22 172.88 2ron s LYS 6 N -2.27 1.07 -0.34 10.12 -2.85 -1.26 -0.47 119.74 123.75 2ron s LYS 6 Ca 0.48 0.19 0.07 0.00 -1.00 0.00 0.00 55.97 55.71 2ron s LYS 6 Cb -0.15 0.51 0.19 0.00 -2.06 0.00 0.00 37.83 36.31 2ron s LYS 6 CO 0.20 -0.35 0.61 0.45 0.10 0.00 0.00 175.35 176.36 2ron s SER 7 N -1.33 -1.59 0.19 0.03 0.15 0.82 -4.93 113.70 107.03 2ron s SER 7 Ca -0.10 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.37 2ron s SER 7 Cb -0.00 2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 66.27 2ron s SER 7 CO 0.08 -0.24 0.10 0.72 1.20 0.00 0.00 173.24 175.09 2ron s PHE 8 N 2.39 3.02 -0.20 3.44 -0.71 -1.26 -0.95 117.98 123.71 2ron s PHE 8 Ca 0.13 -0.08 -0.05 0.00 -1.04 0.00 0.00 56.93 55.89 2ron s PHE 8 Cb -0.07 -1.43 0.10 0.00 -1.21 0.00 0.00 43.02 40.41 2ron s PHE 8 CO -0.17 0.53 0.36 0.34 -1.34 0.00 0.00 175.22 174.93 2ron s ASP 9 N -3.22 0.13 -1.72 1.98 -1.08 -1.26 -4.87 116.67 106.63 2ron s ASP 9 Ca 0.30 0.59 0.00 0.00 -0.52 0.00 0.00 52.55 52.92 2ron s ASP 9 Cb -0.09 1.08 0.00 0.00 -1.46 0.00 0.00 42.92 42.45 2ron s ASP 9 CO 0.22 -0.26 0.00 0.00 0.52 0.00 0.00 175.17 175.65 2ron n ALA 10 N 5.37 -0.25 -3.87 3.66 0.00 -1.26 -3.22 120.51 120.94 2ron n ALA 10 Ca -0.06 0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 2ron n ALA 10 Cb 0.50 -1.73 0.03 0.00 0.00 0.00 0.00 19.45 18.25 2ron n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ron n SER 11 N -0.67 -4.78 0.00 0.00 3.41 -1.26 -4.93 113.62 105.39 2ron n SER 11 Ca -0.16 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 2ron n SER 11 Cb 0.54 -2.54 0.00 0.00 -0.26 0.00 0.00 64.21 61.95 2ron n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2ron n GLU 12 N -4.60 0.00 -3.68 4.33 4.07 -1.20 -4.83 120.64 114.73 2ron n GLU 12 Ca -0.10 0.50 -0.10 0.00 -0.06 0.00 0.00 57.16 57.39 2ron n GLU 12 Cb 0.58 -1.11 -0.11 0.00 -0.06 0.00 0.00 31.44 30.74 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 -1.45 0.31 -0.08 5.31 1.02 -1.26 -4.81 119.74 118.78 2ron s LYS 13 Ca 0.00 0.84 -0.30 0.00 0.02 0.00 0.00 55.97 56.53 2ron s LYS 13 Cb 0.00 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 2ron s LYS 13 CO 0.00 -0.21 1.04 0.99 -0.92 0.00 0.00 175.35 176.25 2ron s THR 14 N 1.94 4.68 -0.34 2.17 2.01 -1.22 -0.01 115.64 124.86 2ron s THR 14 Ca -0.05 1.95 0.01 0.00 0.31 0.00 0.00 61.69 63.91 2ron s THR 14 Cb -0.10 -4.25 0.10 0.00 0.01 0.00 0.00 72.50 68.26 2ron s THR 14 CO -0.12 0.03 0.10 -1.10 -0.69 0.00 0.00 174.62 172.84 2ron s GLN 15 N 1.88 1.08 -0.26 4.92 -0.21 -1.01 -1.93 119.66 124.13 2ron s GLN 15 Ca 0.50 -1.50 -0.15 0.00 0.02 0.00 0.00 55.36 54.24 2ron s GLN 15 Cb -0.20 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 2ron s GLN 15 CO 0.20 -0.99 0.36 -1.17 -2.12 0.00 0.00 175.29 171.57 2ron s LEU 16 N 1.18 4.06 -0.27 2.90 0.20 0.12 -2.64 118.68 124.23 2ron s LEU 16 Ca 0.11 0.30 -0.04 0.00 0.69 0.00 0.00 54.13 55.20 2ron s LEU 16 Cb -0.19 -2.41 0.09 0.00 -0.43 0.00 0.00 46.19 43.25 2ron s LEU 16 CO -0.16 -0.15 0.12 0.27 -0.29 0.00 0.00 176.35 176.14 2ron s ILE 17 N 1.90 0.01 -0.55 6.68 -4.36 -1.11 -1.04 121.20 122.73 2ron s ILE 17 Ca 0.15 -0.69 -0.24 0.00 -0.26 0.00 0.00 60.65 59.62 2ron s ILE 17 Cb -0.16 -0.95 0.04 0.00 1.25 0.00 0.00 42.46 42.65 2ron s ILE 17 CO 0.09 -0.63 0.91 0.00 0.24 0.00 0.00 174.94 175.56 2ron n PHE 19 N 7.36 -2.09 -0.53 0.00 3.72 -1.24 -4.82 117.46 119.85 2ron n PHE 19 Ca 0.01 0.64 -0.02 0.00 -0.05 0.00 0.00 57.45 58.02 2ron n PHE 19 Cb 0.47 -3.80 0.02 0.00 -0.94 0.00 0.00 39.48 35.23 2ron n PHE 19 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ron n PRO 20 N -3.89 -1.18 -3.63 -1.08 -0.04 -1.26 -4.99 135.00 118.92 2ron n PRO 20 Ca -0.12 -0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.08 2ron n PRO 20 Cb 0.61 -0.12 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 2ron n PRO 20 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ron s PHE 21 N -1.15 -0.76 0.02 0.54 -0.71 -1.26 -5.08 117.98 109.57 2ron s PHE 21 Ca 0.05 1.82 -0.06 0.00 -1.04 0.00 0.00 56.93 57.71 2ron s PHE 21 Cb -0.01 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 2ron s PHE 21 CO 0.04 -0.37 1.10 0.00 -1.34 0.00 0.00 175.22 174.65 2ron h ALA 22 N 5.05 -0.62 -0.38 1.99 0.00 -1.99 -3.40 119.26 119.91 2ron h ALA 22 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ron h ALA 22 Cb 1.17 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2ron h ALA 22 CO 0.07 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 179.09 2ron n GLY 23 N -1.08 2.26 0.00 0.00 0.00 -1.26 -2.35 105.19 102.76 2ron n GLY 23 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.26 -0.02 0.00 -1.26 -4.65 105.19 99.52 2ron n GLY 24 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.23 -0.13 1.61 -0.00 -1.89 0.17 116.97 116.96 2ron h TYR 25 Ca 0.00 -0.01 -0.18 0.00 -0.00 0.00 0.00 58.73 58.54 2ron h TYR 25 Cb 0.50 -0.07 0.01 0.00 -0.00 0.00 0.00 36.73 37.16 2ron h TYR 25 CO 0.00 0.26 -0.61 1.03 -0.00 0.00 0.00 178.16 178.84 2ron h SER 26 N 0.22 0.77 1.28 0.10 0.87 -1.68 -0.45 113.55 114.66 2ron h SER 26 Ca 0.05 -0.63 -0.02 0.00 -1.23 0.00 0.00 61.79 59.96 2ron h SER 26 Cb 0.19 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2ron h SER 26 CO 0.01 1.27 -0.10 0.00 -0.53 0.00 0.00 176.83 177.47 2ron h ALA 27 N 0.52 0.98 0.09 6.23 0.00 -1.55 -0.34 119.26 125.19 2ron h ALA 27 Ca -0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 2ron h ALA 27 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2ron h ALA 27 CO 0.13 0.13 -1.27 0.77 0.00 0.00 0.00 179.25 179.00 2ron h SER 28 N 0.00 0.30 0.55 0.00 0.02 -0.92 -3.37 113.55 110.13 2ron h SER 28 Ca -0.00 -0.82 -0.16 0.00 -0.84 0.00 0.00 61.79 59.96 2ron h SER 28 Cb 0.77 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2ron h SER 28 CO 0.01 1.55 -0.73 0.15 -1.14 0.00 0.00 176.83 176.67 2ron h PHE 29 N -0.45 0.20 -0.38 3.45 3.04 -1.11 -3.04 116.94 118.67 2ron h PHE 29 Ca -0.28 -0.09 0.04 0.00 3.98 0.00 0.00 57.97 61.62 2ron h PHE 29 Cb 1.64 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 40.05 2ron h PHE 29 CO 0.14 0.82 -0.49 0.00 -2.02 0.00 0.00 178.31 176.75 2ron h ARG 30 N 0.10 -0.33 0.00 1.11 3.08 -1.21 0.28 114.38 117.41 2ron h ARG 30 Ca -0.02 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2ron h ARG 30 Cb 1.29 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 2ron h ARG 30 CO 0.11 -0.22 -0.39 -1.00 -1.07 0.00 0.00 179.97 177.39 2ron h PRO 31 N -0.34 0.00 -0.40 0.04 0.13 -1.73 0.43 132.00 130.13 2ron h PRO 31 Ca 0.07 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.14 2ron h PRO 31 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 2ron h PRO 31 CO -0.54 0.39 0.04 1.25 -0.23 0.00 0.00 178.00 178.92 2ron h LEU 32 N 0.00 0.67 0.00 1.56 7.12 -1.05 -0.50 115.31 123.11 2ron h LEU 32 Ca -0.00 -0.28 -0.01 0.00 0.13 0.00 0.00 57.88 57.71 2ron h LEU 32 Cb 0.79 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.74 2ron h LEU 32 CO 0.05 0.78 -0.79 1.12 -0.13 0.00 0.00 178.44 179.47 2ron h HIS 33 N 0.53 0.00 0.00 1.25 2.07 -0.45 -2.36 115.15 116.19 2ron h HIS 33 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 2ron h HIS 33 Cb 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 2ron h HIS 33 CO 0.03 0.05 -0.22 0.00 -3.07 0.00 0.00 177.93 174.72 2ron n ALA 34 N -2.18 2.52 -0.02 6.11 0.00 0.14 -0.06 120.51 127.02 2ron n ALA 34 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.35 2ron n ALA 34 Cb 0.57 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 2ron n ALA 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ron n PHE 35 N -2.17 0.00 -0.03 0.00 7.35 -0.21 -4.62 117.46 117.78 2ron n PHE 35 Ca 0.05 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.75 2ron n PHE 35 Cb 0.43 -0.36 -0.12 0.00 0.35 0.00 0.00 39.48 39.78 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 -2.10 0.00 -4.52 -2.13 7.94 -0.89 -5.04 117.00 110.27 2ron n LEU 36 Ca -0.08 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.56 2ron n LEU 36 Cb 0.52 0.15 -0.08 0.00 0.53 0.00 0.00 43.42 44.54 2ron n LEU 36 CO 0.23 0.15 -0.18 -1.10 -1.11 0.00 0.00 177.39 175.37 2ron s GLN 37 N -2.77 1.97 -0.23 1.96 1.11 0.92 -5.02 119.66 117.59 2ron s GLN 37 Ca -0.06 -2.21 -0.30 0.00 0.01 0.00 0.00 55.36 52.80 2ron s GLN 37 Cb 0.08 -0.57 0.16 0.00 -1.01 0.00 0.00 33.01 31.66 2ron s GLN 37 CO 0.62 -0.52 1.22 0.20 0.01 0.00 0.00 175.29 176.82 2ron s GLY 38 N -3.62 -0.08 -1.15 3.09 0.00 -1.24 -4.15 107.32 100.18 2ron s GLY 38 Ca 0.23 2.42 -0.14 0.00 0.00 0.00 0.00 44.72 47.22 2ron s GLY 38 CO 0.15 1.02 0.80 1.18 0.00 0.00 0.00 173.10 176.25 2ron n GLU 39 N 0.52 -2.02 -4.15 2.90 4.71 -1.26 -4.95 120.64 116.39 2ron n GLU 39 Ca -0.04 0.58 -0.32 0.00 -0.01 0.00 0.00 57.16 57.37 2ron n GLU 39 Cb 0.58 -4.70 -0.08 0.00 -1.01 0.00 0.00 31.44 26.24 2ron n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ron n GLU 41 N 1.01 1.89 -3.80 0.00 2.13 0.98 -4.86 120.64 118.00 2ron n GLU 41 Ca -0.12 0.69 -0.36 0.00 0.66 0.00 0.00 57.16 58.03 2ron n GLU 41 Cb 0.52 -2.49 -0.13 0.00 0.27 0.00 0.00 31.44 29.61 2ron n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ron s MET 42 N 3.80 3.44 0.03 5.31 0.23 -0.12 -2.41 119.30 129.58 2ron s MET 42 Ca 0.94 -0.61 -0.06 0.00 -1.03 0.00 0.00 55.69 54.93 2ron s MET 42 Cb -0.80 -3.25 -0.01 0.00 -1.53 0.00 0.00 34.83 29.25 2ron s MET 42 CO 0.55 -0.25 0.11 -0.48 -2.03 0.00 0.00 175.02 172.91 2ron s LEU 43 N 1.55 1.75 0.23 0.18 0.05 -1.08 -0.13 118.68 121.22 2ron s LEU 43 Ca 0.05 -0.47 -0.19 0.00 0.05 0.00 0.00 54.13 53.57 2ron s LEU 43 Cb -0.15 0.62 0.03 0.00 -2.05 0.00 0.00 46.19 44.64 2ron s LEU 43 CO 0.01 -0.49 0.60 0.00 -0.55 0.00 0.00 176.35 175.93 2ron s ALA 44 N -2.39 -1.07 -0.06 1.48 0.00 0.38 -2.74 121.76 117.36 2ron s ALA 44 Ca -0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 2ron s ALA 44 Cb -0.02 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 2ron s ALA 44 CO -0.03 -0.89 0.42 0.00 0.00 0.00 0.00 175.76 175.25 2ron s ALA 45 N -3.89 3.60 0.27 0.00 0.00 -0.91 -1.00 121.76 119.83 2ron s ALA 45 Ca 0.10 -0.23 0.11 0.00 0.00 0.00 0.00 51.96 51.94 2ron s ALA 45 Cb -0.03 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2ron s ALA 45 CO 0.01 0.26 -0.19 -1.21 0.00 0.00 0.00 175.76 174.62 2ron s GLU 46 N -0.27 1.63 0.84 0.00 0.41 -0.85 -3.68 118.70 116.79 2ron s GLU 46 Ca 0.24 -1.75 -0.11 0.00 -0.41 0.00 0.00 54.97 52.94 2ron s GLU 46 Cb -0.16 -1.67 0.10 0.00 -1.78 0.00 0.00 34.13 30.62 2ron s GLU 46 CO 0.11 0.30 1.09 -1.25 -0.49 0.00 0.00 175.26 175.03 2ron s PRO 47 N -3.53 1.69 0.15 0.39 0.04 -1.26 -3.62 135.00 128.85 2ron s PRO 47 Ca 0.29 0.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.00 2ron s PRO 47 Cb -0.04 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2ron s PRO 47 CO 0.14 -1.98 1.33 -1.25 0.04 0.00 0.00 177.00 175.28 2ron s PRO 48 N -4.92 4.36 0.09 0.56 0.04 -1.26 -4.11 135.00 129.77 2ron s PRO 48 Ca 0.62 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2ron s PRO 48 Cb -0.18 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2ron s PRO 48 CO 0.57 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.68 2ron n GLY 49 N 2.94 -0.05 3.64 0.56 0.00 -1.26 -5.02 105.19 106.00 2ron n GLY 49 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 2ron n GLY 49 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ron s HIS 50 N -2.00 -0.78 -0.34 1.61 2.46 -1.26 -5.11 115.29 109.86 2ron s HIS 50 Ca 0.00 1.72 -0.35 0.00 0.47 0.00 0.00 55.06 56.91 2ron s HIS 50 Cb 0.00 0.42 -0.11 0.00 -0.13 0.00 0.00 32.58 32.76 2ron s HIS 50 CO 0.00 -0.38 2.20 0.41 -2.47 0.00 0.00 174.74 174.49 2ron n GLY 51 N 3.28 0.52 0.13 1.59 0.00 -1.26 -4.82 105.19 104.63 2ron n GLY 51 Ca -0.16 0.92 -0.00 0.00 0.00 0.00 0.00 46.02 46.78 2ron n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ron n THR 52 N 7.26 0.02 0.03 2.61 -1.04 -1.26 -5.04 114.28 116.85 2ron n THR 52 Ca 0.41 0.43 0.00 0.00 -2.04 0.00 0.00 64.05 62.85 2ron n THR 52 Cb 0.25 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 2ron n THR 52 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2ron n ASN 53 N -2.52 0.20 -3.04 8.00 2.85 -1.26 -5.13 115.26 114.35 2ron n ASN 53 Ca -0.00 0.10 -0.12 0.00 -0.11 0.00 0.00 54.58 54.45 2ron n ASN 53 Cb 0.01 -0.01 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 2ron n ASN 53 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2ron s GLN 54 N -1.34 2.10 0.26 1.20 -1.52 -1.26 -4.80 119.66 114.30 2ron s GLN 54 Ca 0.00 -1.62 -0.19 0.00 -1.95 0.00 0.00 55.36 51.60 2ron s GLN 54 Cb 0.00 0.54 -0.09 0.00 -0.22 0.00 0.00 33.01 33.24 2ron s GLN 54 CO 0.00 -0.93 0.75 -0.08 -0.25 0.00 0.00 175.29 174.78 2ron s THR 55 N -2.62 4.56 0.00 -0.19 -1.32 -1.26 -3.02 115.64 111.79 2ron s THR 55 Ca 0.23 1.25 0.00 0.00 -1.21 0.00 0.00 61.69 61.96 2ron s THR 55 Cb -0.03 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 2ron s THR 55 CO 0.16 0.10 0.77 -1.54 -2.21 0.00 0.00 174.62 171.90 2ron n SER 56 N 0.42 0.00 -1.70 8.08 3.41 -1.25 -4.76 113.62 117.82 2ron n SER 56 Ca -0.00 0.77 -0.18 0.00 -0.26 0.00 0.00 58.87 59.20 2ron n SER 56 Cb 0.52 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 2ron n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ron n ALA 57 N -1.74 -0.39 -3.64 7.33 0.00 -1.26 -3.02 120.51 117.78 2ron n ALA 57 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 2ron n ALA 57 Cb 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 19.45 17.60 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 -3.20 -6.19 -1.73 0.00 2.08 -1.26 -4.91 119.36 104.15 2ron n ILE 58 Ca -0.20 -1.01 0.05 0.00 0.56 0.00 0.00 62.75 62.16 2ron n ILE 58 Cb 0.62 -4.56 0.09 0.00 -0.75 0.00 0.00 39.64 35.04 2ron n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ron n GLU 59 N -4.09 0.69 0.18 0.38 1.02 -1.17 -4.72 120.64 112.93 2ron n GLU 59 Ca -0.09 -2.10 0.03 0.00 -0.02 0.00 0.00 57.16 54.97 2ron n GLU 59 Cb 0.59 -0.93 0.34 0.00 -0.02 0.00 0.00 31.44 31.43 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 0.37 0.00 0.12 1.62 3.04 -1.91 -1.33 116.42 118.33 2ron h ASP 60 Ca -0.04 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 2ron h ASP 60 Cb 1.29 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.56 2ron h ASP 60 CO 0.02 0.40 -0.33 0.25 -2.04 0.00 0.00 179.24 177.54 2ron h LEU 61 N 0.00 -0.98 -0.18 0.15 6.46 -1.99 0.27 115.31 119.04 2ron h LEU 61 Ca -0.00 0.10 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 2ron h LEU 61 Cb 0.74 0.35 0.01 0.00 -0.73 0.00 0.00 40.66 41.03 2ron h LEU 61 CO 0.05 -0.37 -0.63 -0.33 -0.62 0.00 0.00 178.44 176.55 2ron h GLU 62 N -0.51 0.74 -0.33 1.25 5.08 -1.95 -2.10 114.58 116.75 2ron h GLU 62 Ca -0.01 -0.56 0.10 0.00 -1.00 0.00 0.00 59.36 57.89 2ron h GLU 62 Cb 0.49 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2ron h GLU 62 CO -0.15 1.17 0.30 1.49 -1.00 0.00 0.00 179.01 180.82 2ron h GLU 63 N 0.45 0.00 0.00 2.33 4.57 -1.14 0.29 114.58 121.08 2ron h GLU 63 Ca -0.03 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2ron h GLU 63 Cb 1.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 2ron h GLU 63 CO 0.13 0.00 -0.64 -0.07 -1.18 0.00 0.00 179.01 177.25 2ron h LEU 64 N 0.00 0.00 -2.40 1.64 3.38 -0.36 -2.14 115.31 115.43 2ron h LEU 64 Ca 0.16 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2ron h LEU 64 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2ron h LEU 64 CO -0.00 1.01 0.00 0.71 0.09 0.00 0.00 178.44 180.25 2ron h THR 65 N -1.00 0.00 0.01 0.22 1.35 -1.08 0.08 112.91 112.49 2ron h THR 65 Ca -0.13 -0.01 -0.36 0.00 -0.55 0.00 0.00 66.41 65.37 2ron h THR 65 Cb 0.78 0.82 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 2ron h THR 65 CO -0.08 0.00 -1.97 -0.67 -0.25 0.00 0.00 175.52 172.55 2ron n ASP 66 N -2.78 1.93 0.03 5.36 2.03 1.00 -1.73 116.55 122.39 2ron n ASP 66 Ca -0.02 0.34 0.07 0.00 0.52 0.00 0.00 54.79 55.69 2ron n ASP 66 Cb 0.06 -0.86 0.30 0.00 -0.72 0.00 0.00 41.12 39.90 2ron n ASP 66 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ron n LEU 67 N -4.22 0.15 -0.05 -2.67 0.00 -0.80 0.03 117.00 109.44 2ron n LEU 67 Ca -0.43 0.54 -0.11 0.00 0.00 0.00 0.00 56.01 56.02 2ron n LEU 67 Cb 0.82 -0.53 -0.04 0.00 0.00 0.00 0.00 43.42 43.67 2ron n LEU 67 CO 0.14 -0.40 -0.80 -1.22 0.00 0.00 0.00 177.39 175.11 2ron n TYR 68 N -1.67 0.00 -0.63 1.96 4.02 -0.01 -4.66 117.16 116.16 2ron n TYR 68 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.84 2ron n TYR 68 Cb 0.14 -0.36 0.22 0.00 -0.02 0.00 0.00 39.34 39.32 2ron n TYR 68 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2ron n LYS 69 N -3.52 2.96 -0.38 -0.72 4.76 -0.71 -4.57 118.16 116.00 2ron n LYS 69 Ca -0.19 -2.42 0.30 0.00 -2.87 0.00 0.00 58.31 53.13 2ron n LYS 69 Cb 0.60 -2.01 0.57 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.89 0.22 -0.40 1.97 4.15 -0.53 0.26 115.11 122.67 2ron h GLN 70 Ca 0.27 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.75 2ron h GLN 70 Cb 2.10 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 29.68 2ron h GLN 70 CO 0.65 0.15 0.01 1.49 -1.93 0.00 0.00 178.83 179.20 2ron h GLU 71 N 0.23 0.12 -2.19 1.69 4.57 -1.84 -3.43 114.58 113.72 2ron h GLU 71 Ca 0.73 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.86 2ron h GLU 71 Cb 2.06 -0.03 -0.22 0.00 -0.16 0.00 0.00 28.75 30.40 2ron h GLU 71 CO -0.41 0.08 -0.02 -0.48 -1.18 0.00 0.00 179.01 177.00 2ron s LEU 72 N -10.48 -0.56 -0.27 1.64 2.34 0.90 -5.14 118.68 107.10 2ron s LEU 72 Ca -0.13 1.31 -0.14 0.00 0.06 0.00 0.00 54.13 55.23 2ron s LEU 72 Cb 0.14 2.14 -0.04 0.00 -0.56 0.00 0.00 46.19 47.87 2ron s LEU 72 CO 0.71 -0.22 0.32 0.21 -1.06 0.00 0.00 176.35 176.31 2ron s ASN 73 N 0.93 6.20 -0.03 1.48 2.47 -1.25 -4.77 114.94 119.98 2ron s ASN 73 Ca -0.05 0.22 -0.03 0.00 0.42 0.00 0.00 52.86 53.42 2ron s ASN 73 Cb -0.05 -2.19 -0.01 0.00 -1.45 0.00 0.00 41.25 37.55 2ron s ASN 73 CO -0.08 -0.14 -0.05 0.18 -3.72 0.00 0.00 177.10 173.29 2ron n LEU 74 N 5.19 0.31 -3.64 3.21 4.77 -1.26 -5.10 117.00 120.49 2ron n LEU 74 Ca -0.10 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 2ron n LEU 74 Cb 0.51 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2ron n LEU 74 CO 0.36 -0.47 0.80 -0.60 -1.33 0.00 0.00 177.39 176.15 2ron s ARG 75 N -1.31 0.40 0.00 3.23 3.52 -1.26 -5.18 118.95 118.35 2ron s ARG 75 Ca -0.05 0.52 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 2ron s ARG 75 Cb 0.01 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 2ron s ARG 75 CO 0.07 -0.06 0.00 -0.35 -0.81 0.00 0.00 175.30 174.15 2ron n PRO 76 N 2.45 -0.44 -3.03 5.12 -0.04 -1.26 -5.00 135.00 132.80 2ron n PRO 76 Ca -0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.93 2ron n PRO 76 Cb 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.97 2ron n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ron s ASP 77 N -1.51 7.23 -0.00 3.54 1.11 -1.26 -5.00 116.67 120.77 2ron s ASP 77 Ca 0.00 1.46 -0.23 0.00 0.18 0.00 0.00 52.55 53.96 2ron s ASP 77 Cb 0.00 -2.46 -0.13 0.00 1.07 0.00 0.00 42.92 41.41 2ron s ASP 77 CO 0.00 0.10 0.97 0.03 1.18 0.00 0.00 175.17 177.44 2ron h ARG 78 N 5.20 -0.80 -7.16 8.23 -0.00 -1.89 -3.45 114.38 114.52 2ron h ARG 78 Ca -0.45 0.05 -0.51 0.00 -0.50 0.00 0.00 59.98 58.58 2ron h ARG 78 Cb 1.21 0.18 0.09 0.00 0.00 0.00 0.00 29.97 31.45 2ron h ARG 78 CO 0.69 -0.53 0.40 -1.25 0.00 0.00 0.00 179.97 179.27 2ron s PRO 79 N -4.25 3.01 -0.30 0.04 0.04 -1.26 -4.47 135.00 127.81 2ron s PRO 79 Ca -0.12 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 2ron s PRO 79 Cb 0.01 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 32.74 2ron s PRO 79 CO 0.36 -1.10 0.93 0.12 0.04 0.00 0.00 177.00 177.35 2ron s PHE 80 N -2.13 -0.80 -0.17 0.56 2.19 0.43 -3.40 117.98 114.68 2ron s PHE 80 Ca 0.69 1.35 0.00 0.00 0.33 0.00 0.00 56.93 59.31 2ron s PHE 80 Cb -0.22 0.47 0.00 0.00 -1.31 0.00 0.00 43.02 41.97 2ron s PHE 80 CO 0.36 -0.40 -0.16 0.14 1.83 0.00 0.00 175.22 176.99 2ron s VAL 81 N 2.54 2.52 -0.21 3.12 -7.23 -0.81 -3.78 120.40 116.55 2ron s VAL 81 Ca -0.03 -0.81 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2ron s VAL 81 Cb -0.07 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2ron s VAL 81 CO -0.18 0.51 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.82 2ron s LEU 82 N 1.02 2.70 -0.23 1.32 2.96 -1.23 0.11 118.68 125.32 2ron s LEU 82 Ca -0.01 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.36 2ron s LEU 82 Cb -0.15 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2ron s LEU 82 CO -0.04 -0.02 0.03 -0.36 -1.32 0.00 0.00 176.35 174.64 2ron s PHE 83 N 1.43 3.05 0.00 5.38 0.08 -0.20 -4.24 117.98 123.47 2ron s PHE 83 Ca 0.05 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.55 2ron s PHE 83 Cb -0.14 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 2ron s PHE 83 CO -0.06 -0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.09 2ron n GLY 84 N 4.76 5.14 3.78 4.36 0.00 -1.26 -3.06 105.19 118.91 2ron n GLY 84 Ca -0.17 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 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 1.78 1.80 -2.00 1.61 -3.43 -1.26 -4.87 115.29 108.92 2ron s HIS 85 Ca 0.00 -0.98 0.10 0.00 -0.80 0.00 0.00 55.06 53.38 2ron s HIS 85 Cb 0.00 -1.60 0.29 0.00 -1.43 0.00 0.00 32.58 29.83 2ron s HIS 85 CO 0.00 0.20 1.24 0.43 -2.00 0.00 0.00 174.74 174.61 2ron n SER 86 N -1.30 1.71 -0.02 7.38 7.64 -1.26 -4.13 113.62 123.65 2ron n SER 86 Ca -0.20 -2.00 -0.00 0.00 1.01 0.00 0.00 58.87 57.68 2ron n SER 86 Cb 0.67 -0.21 -0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2ron n SER 86 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2ron h MET 87 N 1.88 0.00 0.00 1.43 2.86 -1.98 -3.51 114.93 115.61 2ron h MET 87 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ron h MET 87 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2ron h MET 87 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2ron n GLY 88 N 1.92 4.42 2.74 8.32 0.00 -1.26 -5.11 105.19 116.23 2ron n GLY 88 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 2ron n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ron n GLY 89 N -0.55 -0.09 0.33 -0.02 0.00 -1.26 -4.97 105.19 98.62 2ron n GLY 89 Ca 0.00 0.21 0.21 0.00 0.00 0.00 0.00 46.02 46.44 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 3.84 0.00 0.13 1.61 -0.00 -1.93 -2.40 114.93 116.18 2ron h MET 90 Ca -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.54 2ron h MET 90 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.65 2ron h MET 90 CO 0.27 0.00 -0.06 0.82 -0.00 0.00 0.00 176.91 177.94 2ron h ILE 91 N 0.00 0.00 -0.84 -0.10 2.04 -1.95 -0.81 117.51 115.84 2ron h ILE 91 Ca -0.00 -0.18 0.17 0.00 1.00 0.00 0.00 64.86 65.85 2ron h ILE 91 Cb 0.04 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.02 2ron h ILE 91 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.53 2ron h THR 92 N -0.35 0.61 -0.43 -0.27 1.03 -1.96 -0.40 112.91 111.13 2ron h THR 92 Ca -0.02 -0.17 -0.06 0.00 -0.01 0.00 0.00 66.41 66.16 2ron h THR 92 Cb 0.13 0.08 -0.02 0.00 -1.07 0.00 0.00 68.15 67.28 2ron h THR 92 CO 0.03 0.09 0.04 0.15 -0.01 0.00 0.00 175.52 175.82 2ron h PHE 93 N 0.49 0.79 -0.85 0.00 3.04 -1.54 -2.11 116.94 116.76 2ron h PHE 93 Ca 0.49 -0.12 0.17 0.00 3.98 0.00 0.00 57.97 62.48 2ron h PHE 93 Cb 0.80 -0.21 -0.10 0.00 2.56 0.00 0.00 35.95 38.99 2ron h PHE 93 CO -0.13 0.77 0.40 -0.09 -2.02 0.00 0.00 178.31 177.24 2ron h ARG 94 N 0.59 0.51 -0.11 1.11 2.43 0.45 0.30 114.38 119.66 2ron h ARG 94 Ca 0.13 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2ron h ARG 94 Cb 0.42 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2ron h ARG 94 CO 0.01 0.34 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.49 2ron h LEU 95 N 0.53 0.42 0.69 3.80 -0.00 -1.28 -2.14 115.31 117.33 2ron h LEU 95 Ca 0.49 -0.57 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2ron h LEU 95 Cb 0.78 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 2ron h LEU 95 CO -0.42 0.92 -0.36 0.00 -0.00 0.00 0.00 178.44 178.58 2ron h ALA 96 N 0.52 -1.24 -0.11 1.53 0.00 -0.57 0.19 119.26 119.58 2ron h ALA 96 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2ron h ALA 96 Cb 0.85 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2ron h ALA 96 CO 0.06 -1.18 -0.33 0.37 0.00 0.00 0.00 179.25 178.16 2ron h GLN 97 N -0.96 -0.41 -0.94 0.00 4.15 -0.57 -0.21 115.11 116.16 2ron h GLN 97 Ca -0.09 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.52 2ron h GLN 97 Cb 0.74 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.42 2ron h GLN 97 CO 0.14 -0.27 0.54 -0.22 -1.93 0.00 0.00 178.83 177.09 2ron h LYS 98 N -0.42 0.70 -0.06 1.69 1.63 -1.39 0.26 116.57 118.97 2ron h LYS 98 Ca 0.09 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.77 2ron h LYS 98 Cb 0.56 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2ron h LYS 98 CO -0.34 0.46 -0.29 -0.07 -3.45 0.00 0.00 179.45 175.75 2ron h LEU 99 N 0.72 0.11 0.23 5.20 3.38 0.36 -1.43 115.31 123.87 2ron h LEU 99 Ca 0.53 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.46 2ron h LEU 99 Cb 0.78 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2ron h LEU 99 CO -0.37 0.41 -0.11 -0.33 0.09 0.00 0.00 178.44 178.13 2ron h GLU 100 N 0.10 -0.30 -0.91 1.13 5.08 0.11 0.11 114.58 119.91 2ron h GLU 100 Ca 0.01 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.56 2ron h GLU 100 Cb 0.58 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 2ron h GLU 100 CO 0.04 -0.20 0.50 0.07 -1.00 0.00 0.00 179.01 178.42 2ron h ARG 101 N -0.70 0.65 -0.02 2.33 0.11 -1.24 0.32 114.38 115.84 2ron h ARG 101 Ca -0.03 -0.04 -0.14 0.00 0.10 0.00 0.00 59.98 59.87 2ron h ARG 101 Cb 0.24 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.15 2ron h ARG 101 CO 0.05 0.43 -0.63 1.05 0.10 0.00 0.00 179.97 180.97 2ron h GLU 102 N 0.67 0.06 -0.06 0.08 4.11 -1.36 -3.21 114.58 114.88 2ron h GLU 102 Ca 0.51 -0.05 -0.24 0.00 0.07 0.00 0.00 59.36 59.65 2ron h GLU 102 Cb 0.75 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2ron h GLU 102 CO -0.38 0.67 -0.92 0.78 0.07 0.00 0.00 179.01 179.23 2ron h GLY 103 N 1.78 0.75 -5.66 1.06 0.00 0.14 -3.46 103.07 97.67 2ron h GLY 103 Ca -0.01 -1.20 0.16 0.00 0.00 0.00 0.00 47.33 46.28 2ron h GLY 103 CO 0.09 1.07 0.29 -1.50 0.00 0.00 0.00 176.54 176.48 2ron s ILE 104 N -3.48 -0.34 -0.00 2.60 1.10 0.82 -4.84 121.20 117.07 2ron s ILE 104 Ca -0.09 0.00 -0.24 0.00 -0.51 0.00 0.00 60.65 59.81 2ron s ILE 104 Cb 0.08 -1.00 -0.15 0.00 0.15 0.00 0.00 42.46 41.54 2ron s ILE 104 CO 0.90 0.00 1.08 0.15 -2.11 0.00 0.00 174.94 174.96 2ron h PHE 105 N 7.01 -0.57 -0.68 3.50 3.57 -1.80 -3.39 116.94 124.58 2ron h PHE 105 Ca -0.20 -0.01 -0.30 0.00 3.53 0.00 0.00 57.97 60.99 2ron h PHE 105 Cb 1.14 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.02 2ron h PHE 105 CO 0.17 -0.25 0.78 -1.25 -2.23 0.00 0.00 178.31 175.53 2ron s PRO 106 N -4.40 2.54 0.07 6.41 0.04 -1.26 -4.95 135.00 133.46 2ron s PRO 106 Ca -0.13 -0.42 0.03 0.00 0.04 0.00 0.00 61.00 60.52 2ron s PRO 106 Cb 0.02 -5.09 -0.04 0.00 0.04 0.00 0.00 34.50 29.43 2ron s PRO 106 CO 0.45 -3.47 0.05 -0.65 0.04 0.00 0.00 177.00 173.42 2ron s GLN 107 N 6.93 2.78 0.00 4.56 -0.21 -1.26 -4.90 119.66 127.56 2ron s GLN 107 Ca 0.70 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.36 2ron s GLN 107 Cb -0.06 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.28 2ron s GLN 107 CO 0.01 0.56 0.00 0.00 -2.12 0.00 0.00 175.29 173.75 2ron n ALA 108 N 0.57 0.00 -2.71 6.09 0.00 -1.26 -4.92 120.51 118.28 2ron n ALA 108 Ca -0.10 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 2ron n ALA 108 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2ron n ALA 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ron s VAL 109 N -0.46 4.97 -0.27 0.00 1.01 -1.24 -2.03 120.40 122.38 2ron s VAL 109 Ca 0.00 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 2ron s VAL 109 Cb 0.00 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.32 2ron s VAL 109 CO 0.00 0.21 0.62 0.27 0.00 0.00 0.00 175.10 176.20 2ron s ILE 110 N 0.93 -0.44 -0.08 2.22 -4.36 -0.76 -0.42 121.20 118.29 2ron s ILE 110 Ca 0.43 0.03 0.04 0.00 -0.26 0.00 0.00 60.65 60.89 2ron s ILE 110 Cb -0.19 -0.93 -0.01 0.00 1.25 0.00 0.00 42.46 42.58 2ron s ILE 110 CO 0.22 0.01 -0.22 -0.51 0.24 0.00 0.00 174.94 174.68 2ron s ILE 111 N 2.18 2.32 -0.11 8.37 -1.16 -1.25 -2.97 121.20 128.58 2ron s ILE 111 Ca -0.08 -0.95 -0.01 0.00 -0.51 0.00 0.00 60.65 59.10 2ron s ILE 111 Cb -0.09 -1.88 -0.03 0.00 0.61 0.00 0.00 42.46 41.07 2ron s ILE 111 CO -0.18 0.56 -0.07 -0.55 -2.81 0.00 0.00 174.94 171.89 2ron s SER 112 N -0.01 4.61 0.44 4.50 0.15 -1.10 -3.50 113.70 118.79 2ron s SER 112 Ca -0.07 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.50 2ron s SER 112 Cb -0.15 -1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.67 2ron s SER 112 CO 0.05 0.26 0.11 0.00 1.20 0.00 0.00 173.24 174.86 2ron s ALA 113 N -0.18 3.24 -1.82 5.45 0.00 -1.26 -1.54 121.76 125.64 2ron s ALA 113 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2ron s ALA 113 Cb -0.13 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2ron s ALA 113 CO 0.03 -0.28 0.00 -0.89 0.00 0.00 0.00 175.76 174.62 2ron n ILE 114 N -1.01 -0.43 -1.49 0.00 5.41 -1.26 -4.67 119.36 115.91 2ron n ILE 114 Ca -0.09 0.00 -0.48 0.00 1.00 0.00 0.00 62.75 63.18 2ron n ILE 114 Cb 0.65 -2.28 -0.06 0.00 -0.71 0.00 0.00 39.64 37.24 2ron n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ron n GLN 115 N -2.63 1.27 -1.23 0.38 6.02 -1.24 -4.80 117.38 115.17 2ron n GLN 115 Ca -0.21 0.33 -0.30 0.00 -0.01 0.00 0.00 57.00 56.81 2ron n GLN 115 Cb 0.64 -2.69 0.12 0.00 1.02 0.00 0.00 30.24 29.33 2ron n GLN 115 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2ron s PRO 116 N 6.42 1.72 0.24 -1.09 0.04 -1.26 -3.35 135.00 137.73 2ron s PRO 116 Ca 1.07 0.99 0.01 0.00 0.04 0.00 0.00 61.00 63.11 2ron s PRO 116 Cb -0.70 -1.85 0.27 0.00 0.04 0.00 0.00 34.50 32.26 2ron s PRO 116 CO 0.44 -1.96 1.61 -1.00 0.04 0.00 0.00 177.00 176.13 2ron h PRO 117 N -1.35 0.45 -6.91 0.56 0.13 -1.91 -3.43 132.00 119.53 2ron h PRO 117 Ca -0.47 -0.24 -0.54 0.00 -0.87 0.00 0.00 66.00 63.89 2ron h PRO 117 Cb 1.26 0.01 0.20 0.00 0.13 0.00 0.00 31.00 32.60 2ron h PRO 117 CO 0.53 0.81 -0.22 -2.39 -0.23 0.00 0.00 178.00 176.49 2ron n HIS 118 N -4.01 -0.37 -3.83 1.56 1.44 -1.26 -4.82 115.22 103.93 2ron n HIS 118 Ca -0.02 0.32 -0.13 0.00 -2.01 0.00 0.00 57.72 55.89 2ron n HIS 118 Cb 0.53 -1.92 -0.14 0.00 0.12 0.00 0.00 29.99 28.58 2ron n HIS 118 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2ron s ILE 119 N -2.23 -0.01 -0.17 0.61 1.01 -1.26 -4.70 121.20 114.45 2ron s ILE 119 Ca 0.64 0.03 -0.37 0.00 0.00 0.00 0.00 60.65 60.95 2ron s ILE 119 Cb -0.27 -0.12 -0.14 0.00 0.01 0.00 0.00 42.46 41.95 2ron s ILE 119 CO 0.60 0.01 1.80 1.67 0.00 0.00 0.00 174.94 179.03 2ron n GLN 120 N 3.23 1.68 -1.48 2.79 -0.06 -1.26 -4.63 117.38 117.65 2ron n GLN 120 Ca -0.15 0.62 -0.50 0.00 -2.00 0.00 0.00 57.00 54.97 2ron n GLN 120 Cb 0.58 -2.38 -0.07 0.00 -4.06 0.00 0.00 30.24 24.32 2ron n GLN 120 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 2ron n ARG 121 N 5.92 1.22 -4.00 3.69 1.85 -1.26 -4.89 116.66 119.19 2ron n ARG 121 Ca 0.24 0.34 -0.13 0.00 -1.00 0.00 0.00 57.85 57.31 2ron n ARG 121 Cb 0.21 -2.52 -0.02 0.00 -1.05 0.00 0.00 32.46 29.08 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 6.00 2.03 -0.13 2.89 -2.85 -1.26 -5.04 119.74 121.38 2ron s LYS 122 Ca 1.07 -1.68 0.02 0.00 -1.00 0.00 0.00 55.97 54.39 2ron s LYS 122 Cb -0.81 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 35.47 2ron s LYS 122 CO 0.49 -0.88 -0.20 -1.59 0.10 0.00 0.00 175.35 173.27 2ron s LYS 123 N -2.79 2.78 0.04 1.78 0.00 -1.26 -4.75 119.74 115.53 2ron s LYS 123 Ca 0.26 -0.77 -0.00 0.00 0.00 0.00 0.00 55.97 55.46 2ron s LYS 123 Cb -0.02 -2.25 -0.03 0.00 0.00 0.00 0.00 37.83 35.53 2ron s LYS 123 CO 0.18 -0.01 -0.03 0.08 0.00 0.00 0.00 175.35 175.57 2ron s VAL 124 N 0.81 0.17 -0.42 1.79 1.01 -1.26 -5.03 120.40 117.47 2ron s VAL 124 Ca -0.08 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.65 2ron s VAL 124 Cb -0.16 -0.86 0.57 0.00 0.00 0.00 0.00 36.38 35.94 2ron s VAL 124 CO -0.01 -0.73 1.47 -1.54 0.00 0.00 0.00 175.10 174.30 2ron n SER 125 N 0.90 4.26 0.34 3.32 3.41 -1.26 -4.46 113.62 120.13 2ron n SER 125 Ca -0.19 -2.79 -0.16 0.00 -0.26 0.00 0.00 58.87 55.47 2ron n SER 125 Cb 0.58 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.79 2ron n SER 125 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2ron h HIS 126 N 2.42 -0.83 -3.80 7.33 6.17 -1.98 -3.47 115.15 120.99 2ron h HIS 126 Ca 0.11 -0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.08 2ron h HIS 126 Cb 1.76 0.27 -0.14 0.00 2.52 0.00 0.00 27.41 31.82 2ron h HIS 126 CO 0.89 -0.48 -0.39 -0.51 0.71 0.00 0.00 177.93 178.14 2ron s LEU 127 N -9.66 1.48 0.00 0.26 1.43 -1.26 -5.01 118.68 105.91 2ron s LEU 127 Ca -0.15 -0.64 0.14 0.00 -1.03 0.00 0.00 54.13 52.45 2ron s LEU 127 Cb 0.02 0.98 0.65 0.00 0.03 0.00 0.00 46.19 47.87 2ron s LEU 127 CO 0.49 -0.70 1.44 -0.81 0.23 0.00 0.00 176.35 176.99 2ron n PRO 128 N 0.04 0.07 -0.00 1.29 -0.04 -1.26 -2.34 135.00 132.76 2ron n PRO 128 Ca -0.15 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2ron n PRO 128 Cb 0.62 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 2ron n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ron n ASP 129 N -1.42 0.62 0.01 3.54 9.92 -1.26 -4.67 116.55 123.29 2ron n ASP 129 Ca 0.05 -0.50 -0.10 0.00 -0.53 0.00 0.00 54.79 53.71 2ron n ASP 129 Cb 0.15 1.02 -0.03 0.00 -0.64 0.00 0.00 41.12 41.61 2ron n ASP 129 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2ron h ASP 130 N 0.00 -0.66 -0.47 -2.24 3.58 -1.83 -0.61 116.42 114.19 2ron h ASP 130 Ca 0.00 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 2ron h ASP 130 Cb 0.08 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2ron h ASP 130 CO 0.00 -0.26 0.21 0.06 -2.88 0.00 0.00 179.24 176.36 2ron h GLN 131 N -0.28 0.74 0.67 0.28 3.07 -1.85 0.89 115.11 118.64 2ron h GLN 131 Ca 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 2ron h GLN 131 Cb 0.42 -0.14 0.01 0.00 0.08 0.00 0.00 27.48 27.85 2ron h GLN 131 CO -0.28 0.61 -0.32 0.74 0.09 0.00 0.00 178.83 179.67 2ron h PHE 132 N 0.74 -0.84 0.00 0.06 -1.00 -1.56 -2.05 116.94 112.29 2ron h PHE 132 Ca 0.18 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.92 2ron h PHE 132 Cb 0.15 0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 2ron h PHE 132 CO 0.01 -0.52 -0.08 1.37 -1.61 0.00 0.00 178.31 177.48 2ron h LEU 133 N -0.90 0.00 -0.60 1.54 8.10 -1.03 -1.37 115.31 121.04 2ron h LEU 133 Ca -0.09 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.79 2ron h LEU 133 Cb 0.69 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.89 2ron h LEU 133 CO 0.15 0.08 -0.08 0.44 -4.11 0.00 0.00 178.44 174.92 2ron h ASP 134 N 0.00 1.02 0.93 0.17 5.19 -0.42 -1.46 116.42 121.84 2ron h ASP 134 Ca -0.00 -0.32 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 2ron h ASP 134 Cb 0.56 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2ron h ASP 134 CO 0.01 1.11 -1.09 0.00 -3.12 0.00 0.00 179.24 176.15 2ron n HIS 135 N -4.15 0.97 0.14 4.55 1.44 -0.81 -3.92 115.22 113.44 2ron n HIS 135 Ca 0.02 0.29 0.01 0.00 -2.01 0.00 0.00 57.72 56.03 2ron n HIS 135 Cb 0.39 -0.99 0.10 0.00 0.12 0.00 0.00 29.99 29.61 2ron n HIS 135 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 2ron h ILE 136 N 0.00 1.11 -6.95 0.61 6.09 -1.14 -3.48 117.51 113.75 2ron h ILE 136 Ca -0.03 -2.28 -0.56 0.00 -1.37 0.00 0.00 64.86 60.61 2ron h ILE 136 Cb 1.12 2.35 -0.13 0.00 0.47 0.00 0.00 36.82 40.63 2ron h ILE 136 CO 0.01 0.58 -0.91 2.30 -3.07 0.00 0.00 178.15 177.06 2ron n ILE 137 N -3.39 -1.46 0.00 2.19 -5.35 -0.56 -4.83 119.36 105.95 2ron n ILE 137 Ca 0.01 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2ron n ILE 137 Cb 0.70 -1.33 0.00 0.00 -1.74 0.00 0.00 39.64 37.28 2ron n ILE 137 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ron n GLN 138 N -4.47 0.00 -3.88 6.28 6.02 -1.26 -4.48 117.38 115.59 2ron n GLN 138 Ca -0.23 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.50 2ron n GLN 138 Cb 0.59 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.86 2ron n GLN 138 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ron n LEU 139 N -2.29 -2.57 0.00 1.08 7.99 -1.26 -3.39 117.00 116.56 2ron n LEU 139 Ca 0.00 -0.88 0.00 0.00 -0.01 0.00 0.00 56.01 55.12 2ron n LEU 139 Cb 0.00 -2.45 0.00 0.00 -0.11 0.00 0.00 43.42 40.86 2ron n LEU 139 CO 0.00 0.42 0.00 0.61 -1.51 0.00 0.00 177.39 176.91 2ron n GLY 140 N -1.70 0.43 0.19 -0.72 0.00 -1.26 -4.79 105.19 97.34 2ron n GLY 140 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.75 -0.02 0.00 -1.22 -5.09 105.19 101.25 2ron n GLY 141 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 2ron n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ron s MET 142 N -0.06 0.60 -0.21 1.61 1.00 -1.26 -5.04 119.30 115.94 2ron s MET 142 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 55.69 54.61 2ron s MET 142 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 34.83 34.07 2ron s MET 142 CO 0.00 -1.18 1.61 -1.25 0.00 0.00 0.00 175.02 174.20 2ron s PRO 143 N 1.53 3.82 -0.30 2.03 0.04 -1.26 -4.62 135.00 136.24 2ron s PRO 143 Ca 0.16 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 2ron s PRO 143 Cb -0.15 -4.03 0.16 0.00 0.04 0.00 0.00 34.50 30.52 2ron s PRO 143 CO -0.07 -1.26 0.96 0.00 0.04 0.00 0.00 177.00 176.67 2ron s ALA 144 N 5.11 -2.57 0.00 8.56 0.00 -1.26 -5.04 121.76 126.55 2ron s ALA 144 Ca 0.71 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.78 2ron s ALA 144 Cb -0.25 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2ron s ALA 144 CO 0.29 -0.83 0.00 0.39 0.00 0.00 0.00 175.76 175.61 2ron n GLU 145 N 4.76 2.32 -0.59 0.00 1.02 -1.26 -4.75 120.64 122.13 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 -0.70 0.33 0.00 -0.02 0.00 0.00 31.44 31.58 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 -0.93 4.60 0.00 -4.62 -0.00 -1.26 -4.18 117.00 110.62 2ron n LEU 146 Ca 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 56.01 53.39 2ron n LEU 146 Cb 0.13 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 2ron n LEU 146 CO 0.00 0.74 0.13 1.33 -0.00 0.00 0.00 177.39 179.58 2ron n VAL 147 N 0.61 0.00 0.32 1.47 0.24 -1.26 -4.70 118.33 115.01 2ron n VAL 147 Ca 0.24 -0.38 0.20 0.00 -2.04 0.00 0.00 64.34 62.36 2ron n VAL 147 Cb 0.91 1.16 1.08 0.00 -1.47 0.00 0.00 33.84 35.52 2ron n VAL 147 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2ron h GLU 148 N 0.00 0.00 0.00 7.34 4.11 -1.86 0.53 114.58 124.71 2ron h GLU 148 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2ron h GLU 148 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2ron h GLU 148 CO 0.00 0.00 -0.88 -0.97 0.07 0.00 0.00 179.01 177.23 2ron h ASN 149 N 0.00 0.01 0.55 3.06 -0.73 -1.89 -3.01 115.58 113.58 2ron h ASN 149 Ca 0.01 -0.67 0.00 0.00 1.87 0.00 0.00 56.30 57.50 2ron h ASN 149 Cb 0.11 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.70 2ron h ASN 149 CO -0.00 1.34 0.00 0.07 -0.37 0.00 0.00 177.43 178.47 2ron h LYS 150 N -0.97 0.00 0.09 6.67 2.10 -1.75 -2.51 116.57 120.19 2ron h LYS 150 Ca -0.24 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.13 2ron h LYS 150 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2ron h LYS 150 CO -0.14 0.00 -1.49 0.93 -2.00 0.00 0.00 179.45 176.75 2ron h GLU 151 N 0.00 0.19 0.00 0.07 5.08 -1.03 -2.08 114.58 116.82 2ron h GLU 151 Ca 0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 2ron h GLU 151 Cb 0.27 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2ron h GLU 151 CO 0.00 1.15 -0.07 -0.24 -1.00 0.00 0.00 179.01 178.86 2ron h VAL 152 N -0.39 0.27 0.02 3.13 3.04 -1.36 0.62 116.25 121.58 2ron h VAL 152 Ca -0.34 -0.48 -0.36 0.00 -1.01 0.00 0.00 66.70 64.52 2ron h VAL 152 Cb 1.71 1.37 -0.06 0.00 -2.01 0.00 0.00 31.29 32.30 2ron h VAL 152 CO 0.00 0.07 -2.19 1.15 -1.01 0.00 0.00 177.57 175.59 2ron n MET 153 N -3.33 0.68 0.00 4.17 0.00 -0.97 -4.12 117.12 113.56 2ron n MET 153 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.84 2ron n MET 153 Cb 0.24 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 31.85 2ron n MET 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2ron n SER 154 N -3.07 0.00 -0.13 3.17 7.64 -0.78 -4.54 113.62 115.91 2ron n SER 154 Ca -0.32 0.00 0.28 0.00 1.01 0.00 0.00 58.87 59.83 2ron n SER 154 Cb 1.07 -0.43 0.71 0.00 -1.01 0.00 0.00 64.21 64.55 2ron n SER 154 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2ron h PHE 155 N 0.00 0.00 -4.66 1.43 -1.00 -0.33 -3.44 116.94 108.94 2ron h PHE 155 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2ron h PHE 155 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2ron h PHE 155 CO 0.00 0.00 -0.00 0.34 -1.61 0.00 0.00 178.31 177.04 2ron n PHE 156 N -3.91 -2.10 -0.87 -0.55 -0.00 0.17 -4.04 117.46 106.16 2ron n PHE 156 Ca 0.17 0.80 -0.34 0.00 -0.00 0.00 0.00 57.45 58.09 2ron n PHE 156 Cb 1.00 -3.34 0.10 0.00 -0.00 0.00 0.00 39.48 37.25 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 -1.53 -1.18 -0.06 -2.13 -0.00 -1.24 -4.54 117.00 106.31 2ron n LEU 157 Ca 0.00 0.32 -0.10 0.00 -0.00 0.00 0.00 56.01 56.23 2ron n LEU 157 Cb 0.50 -1.13 0.04 0.00 -0.00 0.00 0.00 43.42 42.83 2ron n LEU 157 CO 0.37 -4.03 0.56 1.55 -0.00 0.00 0.00 177.39 175.84 2ron h PRO 158 N -1.37 0.75 -5.70 1.47 0.13 -1.84 -3.44 132.00 122.01 2ron h PRO 158 Ca -0.44 -0.40 -0.61 0.00 -0.87 0.00 0.00 66.00 63.69 2ron h PRO 158 Cb 1.29 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2ron h PRO 158 CO 0.33 1.02 1.52 0.45 -0.23 0.00 0.00 178.00 181.10 2ron n SER 159 N -4.04 1.59 0.06 1.44 2.88 -1.26 -4.84 113.62 109.45 2ron n SER 159 Ca -0.02 0.23 -0.03 0.00 -1.33 0.00 0.00 58.87 57.71 2ron n SER 159 Cb 0.54 -1.20 -0.01 0.00 -0.75 0.00 0.00 64.21 62.79 2ron n SER 159 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2ron h PHE 160 N 13.20 -0.19 -1.29 0.66 0.04 -1.98 -2.84 116.94 124.55 2ron h PHE 160 Ca -0.20 -0.00 0.39 0.00 2.80 0.00 0.00 57.97 60.96 2ron h PHE 160 Cb 1.32 0.06 -0.10 0.00 2.20 0.00 0.00 35.95 39.43 2ron h PHE 160 CO 0.99 -0.12 0.86 0.07 -0.60 0.00 0.00 178.31 179.52 2ron h ARG 161 N -0.60 0.14 0.00 1.51 -0.00 -1.98 0.40 114.38 113.85 2ron h ARG 161 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2ron h ARG 161 Cb 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.09 2ron h ARG 161 CO 0.03 0.09 0.00 0.43 -0.00 0.00 0.00 179.97 180.53 2ron n SER 162 N -4.51 0.00 -0.15 0.08 7.64 -1.24 -1.93 113.62 113.51 2ron n SER 162 Ca 0.33 0.64 -0.03 0.00 1.01 0.00 0.00 58.87 60.82 2ron n SER 162 Cb 1.31 -0.33 0.03 0.00 -1.01 0.00 0.00 64.21 64.21 2ron n SER 162 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ron h ASP 163 N 0.00 -0.40 -0.06 6.43 1.82 -1.18 0.34 116.42 123.38 2ron h ASP 163 Ca 0.00 0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.79 2ron h ASP 163 Cb 0.00 0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 2ron h ASP 163 CO 0.00 -0.14 -0.28 1.88 -1.61 0.00 0.00 179.24 179.09 2ron h TYR 164 N 0.02 -0.83 0.00 0.28 -1.99 -0.34 0.40 116.97 114.51 2ron h TYR 164 Ca 0.23 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.99 2ron h TYR 164 Cb 0.35 0.37 0.00 0.00 2.00 0.00 0.00 36.73 39.45 2ron h TYR 164 CO -0.39 -0.28 0.00 -0.09 -0.00 0.00 0.00 178.16 177.40 2ron h ARG 165 N -0.31 0.00 0.00 4.88 2.43 -1.08 0.44 114.38 120.74 2ron h ARG 165 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2ron h ARG 165 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2ron h ARG 165 CO -0.22 0.00 -0.32 0.00 -1.51 0.00 0.00 179.97 177.93 2ron h ALA 166 N 2.04 0.83 -0.00 2.80 0.00 0.22 0.32 119.26 125.48 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ron h ALA 166 CO 0.00 0.00 -0.24 1.28 0.00 0.00 0.00 179.25 180.29 2ron n LEU 167 N -2.77 0.35 0.00 0.00 7.99 0.11 -4.74 117.00 117.94 2ron n LEU 167 Ca 0.03 -0.54 0.00 0.00 -0.01 0.00 0.00 56.01 55.50 2ron n LEU 167 Cb 0.51 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 2ron n LEU 167 CO 0.35 0.08 -0.36 -0.62 -1.51 0.00 0.00 177.39 175.34 2ron n GLU 168 N -1.02 1.19 -2.46 3.23 -0.58 0.14 -5.02 120.64 116.11 2ron n GLU 168 Ca 0.01 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.59 2ron n GLU 168 Cb 0.09 -0.86 -0.01 0.00 -0.57 0.00 0.00 31.44 30.10 2ron n GLU 168 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2ron n GLN 169 N -1.94 -2.11 0.00 3.49 6.02 0.11 -4.79 117.38 118.16 2ron n GLN 169 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 2ron n GLN 169 Cb 0.36 -5.40 0.00 0.00 1.02 0.00 0.00 30.24 26.21 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 -3.67 0.00 -1.70 1.08 3.72 -1.26 -5.06 117.46 110.57 2ron n PHE 170 Ca -0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 2ron n PHE 170 Cb 0.64 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 -0.34 2.09 -3.30 -1.08 4.71 -1.26 -5.01 120.64 116.45 2ron n GLU 171 Ca 0.00 0.74 -0.20 0.00 -0.01 0.00 0.00 57.16 57.68 2ron n GLU 171 Cb 0.02 -2.34 0.01 0.00 -1.01 0.00 0.00 31.44 28.12 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 -1.17 3.31 0.33 -4.62 1.43 -1.26 -4.99 118.68 111.72 2ron s LEU 172 Ca 0.57 -0.74 0.25 0.00 -1.03 0.00 0.00 54.13 53.18 2ron s LEU 172 Cb -0.55 -2.03 1.17 0.00 0.03 0.00 0.00 46.19 44.81 2ron s LEU 172 CO 0.61 -0.91 1.75 1.88 0.23 0.00 0.00 176.35 179.90 2ron h TYR 173 N 0.66 0.00 -3.29 0.29 0.05 -2.06 -3.40 116.97 109.22 2ron h TYR 173 Ca -0.37 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.78 2ron h TYR 173 Cb 1.28 0.00 -0.34 0.00 1.01 0.00 0.00 36.73 38.68 2ron h TYR 173 CO 0.52 0.00 -0.85 0.16 -1.05 0.00 0.00 178.16 176.94 2ron s ASP 174 N -4.30 2.72 0.00 3.88 1.47 -1.26 -4.97 116.67 114.20 2ron s ASP 174 Ca 0.01 -0.50 0.00 0.00 1.18 0.00 0.00 52.55 53.24 2ron s ASP 174 Cb 0.08 -1.24 0.00 0.00 -0.34 0.00 0.00 42.92 41.42 2ron s ASP 174 CO 0.32 0.08 0.47 0.00 0.68 0.00 0.00 175.17 176.72 2ron n LEU 175 N 3.91 0.77 -4.82 2.11 -0.00 -1.26 -5.08 117.00 112.63 2ron n LEU 175 Ca -0.20 -0.77 -0.30 0.00 -0.00 0.00 0.00 56.01 54.74 2ron n LEU 175 Cb 0.52 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.01 2ron n LEU 175 CO 0.26 0.19 0.72 0.00 -0.00 0.00 0.00 177.39 178.56 2ron s ALA 176 N -0.21 2.51 -0.98 1.47 0.00 -1.26 -4.31 121.76 118.98 2ron s ALA 176 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 2ron s ALA 176 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2ron s ALA 176 CO 0.00 -1.43 0.85 1.04 0.00 0.00 0.00 175.76 176.22 2ron n GLN 177 N -3.25 -2.77 -3.90 0.00 6.02 -1.02 -4.98 117.38 107.49 2ron n GLN 177 Ca 0.07 0.79 -0.17 0.00 -0.01 0.00 0.00 57.00 57.68 2ron n GLN 177 Cb 0.55 -5.49 -0.16 0.00 1.02 0.00 0.00 30.24 26.16 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 -3.35 0.15 -0.29 5.09 1.01 -1.26 -5.05 121.20 117.50 2ron s ILE 178 Ca 0.34 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 2ron s ILE 178 Cb -0.04 -0.26 0.14 0.00 0.01 0.00 0.00 42.46 42.30 2ron s ILE 178 CO 0.67 0.15 0.93 0.00 0.00 0.00 0.00 174.94 176.69 2ron s GLN 179 N 1.11 0.43 0.03 2.79 -2.07 -1.26 -2.87 119.66 117.82 2ron s GLN 179 Ca -0.08 0.74 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 2ron s GLN 179 Cb -0.13 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 2ron s GLN 179 CO -0.02 -0.09 0.00 0.45 -1.32 0.00 0.00 175.29 174.31 2ron n SER 180 N 3.77 -0.24 -2.97 12.60 2.88 -1.26 -4.82 113.62 123.57 2ron n SER 180 Ca -0.19 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2ron n SER 180 Cb 0.58 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 2ron n SER 180 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ron n PRO 181 N -2.84 -0.08 -4.56 -1.46 -0.04 -1.26 -4.08 135.00 120.68 2ron n PRO 181 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2ron n PRO 181 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.54 1.01 0.07 0.52 1.01 -0.86 -2.28 120.40 119.33 2ron s VAL 182 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 2ron s VAL 182 Cb 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.62 2ron s VAL 182 CO 0.00 0.27 0.77 -1.38 0.00 0.00 0.00 175.10 174.75 2ron s HIS 183 N -0.34 -0.42 -0.10 5.22 -3.43 -1.02 -1.82 115.29 113.38 2ron s HIS 183 Ca 0.05 0.25 -0.17 0.00 -0.80 0.00 0.00 55.06 54.38 2ron s HIS 183 Cb -0.05 0.55 0.04 0.00 -1.43 0.00 0.00 32.58 31.69 2ron s HIS 183 CO -0.00 -0.69 0.42 0.08 -2.00 0.00 0.00 174.74 172.55 2ron s VAL 184 N -3.40 0.02 -0.18 -5.38 1.01 -1.16 -3.65 120.40 107.67 2ron s VAL 184 Ca 0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 2ron s VAL 184 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2ron s VAL 184 CO -0.10 -0.09 0.09 -0.36 0.00 0.00 0.00 175.10 174.63 2ron s PHE 185 N -0.50 3.33 0.08 5.22 0.08 -0.51 -2.70 117.98 122.98 2ron s PHE 185 Ca -0.06 0.20 0.05 0.00 0.12 0.00 0.00 56.93 57.24 2ron s PHE 185 Cb -0.03 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2ron s PHE 185 CO 0.03 0.27 -0.14 -0.80 -0.10 0.00 0.00 175.22 174.48 2ron s ASN 186 N 0.15 1.71 0.26 1.36 -0.87 -0.59 -1.66 114.94 115.31 2ron s ASN 186 Ca 0.06 -0.65 0.00 0.00 -1.57 0.00 0.00 52.86 50.71 2ron s ASN 186 Cb -0.12 -0.05 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 2ron s ASN 186 CO -0.00 -0.09 0.00 0.61 -2.57 0.00 0.00 177.10 175.05 2ron n GLY 187 N 1.17 1.18 4.53 0.66 0.00 -0.78 -3.61 105.19 108.33 2ron n GLY 187 Ca -0.20 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.87 -0.01 0.99 -0.00 -1.21 -3.38 117.00 112.51 2ron n LEU 188 Ca 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 56.01 54.77 2ron n LEU 188 Cb 0.00 -1.62 0.31 0.00 -0.00 0.00 0.00 43.42 42.11 2ron n LEU 188 CO 0.00 0.12 0.98 -2.24 -0.00 0.00 0.00 177.39 176.26 2ron h ASP 189 N -0.94 0.51 0.00 1.45 2.03 -1.91 -3.30 116.42 114.26 2ron h ASP 189 Ca -0.60 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.62 2ron h ASP 189 Cb 1.39 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2ron h ASP 189 CO 0.89 0.53 0.00 0.47 -1.03 0.00 0.00 179.24 180.10 2ron n ASP 190 N -4.32 0.00 -4.58 4.15 9.92 -1.26 -0.01 116.55 120.45 2ron n ASP 190 Ca 0.02 0.61 -0.34 0.00 -0.53 0.00 0.00 54.79 54.55 2ron n ASP 190 Cb 0.21 -0.35 -0.11 0.00 -0.64 0.00 0.00 41.12 40.22 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 -1.59 3.29 -0.01 -1.24 2.20 -1.24 -3.97 119.74 117.17 2ron s LYS 191 Ca 0.00 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2ron s LYS 191 Cb 0.00 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 2ron s LYS 191 CO 0.00 0.47 0.01 1.63 -0.36 0.00 0.00 175.35 177.11 2ron n LYS 192 N 2.83 2.95 0.24 4.03 5.02 -1.26 -4.62 118.16 127.36 2ron n LYS 192 Ca -0.18 -0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.24 2ron n LYS 192 Cb 0.53 -1.04 0.51 0.00 -0.02 0.00 0.00 35.03 35.00 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 0.00 1.21 0.03 0.00 -0.00 -2.00 0.38 117.51 117.13 2ron h ILE 194 Ca -0.00 -0.55 -0.21 0.00 -0.00 0.00 0.00 64.86 64.10 2ron h ILE 194 Cb 0.70 0.38 -0.01 0.00 -0.00 0.00 0.00 36.82 37.88 2ron h ILE 194 CO 0.01 0.24 -0.96 0.08 -0.00 0.00 0.00 178.15 177.52 2ron h ARG 195 N 0.89 0.14 -0.30 2.19 0.11 -1.84 -1.76 114.38 113.82 2ron h ARG 195 Ca 0.23 -0.19 -0.12 0.00 0.10 0.00 0.00 59.98 60.00 2ron h ARG 195 Cb 0.06 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 2ron h ARG 195 CO -0.03 1.00 -0.33 0.22 0.10 0.00 0.00 179.97 180.92 2ron h ASP 196 N 0.07 0.67 0.01 0.08 3.58 -1.35 0.49 116.42 119.96 2ron h ASP 196 Ca -0.05 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 2ron h ASP 196 Cb 1.64 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2ron h ASP 196 CO 0.14 0.95 -0.00 0.00 -2.88 0.00 0.00 179.24 177.45 2ron h ALA 197 N 1.09 -0.01 0.00 -0.78 0.00 -0.96 -2.14 119.26 116.46 2ron h ALA 197 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ron h ALA 197 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ron h ALA 197 CO 0.07 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.69 2ron n GLU 198 N -4.67 0.20 -0.08 0.00 -0.58 -0.66 -1.91 120.64 112.94 2ron n GLU 198 Ca -0.07 0.35 -0.22 0.00 -0.42 0.00 0.00 57.16 56.81 2ron n GLU 198 Cb 0.34 -1.83 -0.12 0.00 -0.57 0.00 0.00 31.44 29.26 2ron n GLU 198 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2ron h GLY 199 N 2.90 0.07 2.00 0.62 0.00 -0.10 -3.37 103.07 105.19 2ron h GLY 199 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2ron h GLY 199 CO 0.00 0.17 -0.17 -0.25 0.00 0.00 0.00 176.54 176.29 2ron h TRP 200 N -0.76 0.00 -0.87 5.60 -0.00 -1.41 -3.09 115.95 115.42 2ron h TRP 200 Ca -0.35 0.00 0.19 0.00 -0.00 0.00 0.00 58.89 58.73 2ron h TRP 200 Cb 1.46 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 30.55 2ron h TRP 200 CO 0.10 0.17 0.58 1.57 -0.00 0.00 0.00 178.44 180.86 2ron h LYS 201 N 0.00 0.40 0.00 2.65 5.09 -1.55 0.24 116.57 123.41 2ron h LYS 201 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.71 2ron h LYS 201 Cb 0.74 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.98 2ron h LYS 201 CO 0.02 0.27 -0.98 0.36 -2.09 0.00 0.00 179.45 177.02 2ron n LYS 202 N -4.50 0.37 -1.89 0.07 2.85 -1.17 -4.92 118.16 108.98 2ron n LYS 202 Ca 0.18 0.03 -0.17 0.00 -1.05 0.00 0.00 58.31 57.31 2ron n LYS 202 Cb 0.66 -1.66 -0.04 0.00 -0.65 0.00 0.00 35.03 33.33 2ron n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2ron n TRP 203 N -2.16 -0.64 -3.51 5.58 7.02 0.84 -2.42 117.44 122.15 2ron n TRP 203 Ca 0.01 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.13 2ron n TRP 203 Cb 0.47 -3.15 -0.07 0.00 -2.42 0.00 0.00 31.31 26.14 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 -2.59 3.58 -0.27 6.99 0.00 -1.26 -4.51 121.76 123.70 2ron s ALA 204 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 2ron s ALA 204 Cb 0.00 -2.44 0.09 0.00 0.00 0.00 0.00 23.12 20.77 2ron s ALA 204 CO 0.00 0.00 0.09 0.15 0.00 0.00 0.00 175.76 176.01 2ron s LYS 205 N 0.65 0.48 1.06 0.00 3.01 -1.14 -4.95 119.74 118.86 2ron s LYS 205 Ca 0.17 -0.69 -0.17 0.00 -1.01 0.00 0.00 55.97 54.27 2ron s LYS 205 Cb -0.13 -1.73 0.06 0.00 -1.01 0.00 0.00 37.83 35.02 2ron s LYS 205 CO 0.05 -0.90 0.02 -0.25 0.51 0.00 0.00 175.35 174.77 2ron n ASP 206 N 5.05 -2.45 -0.01 2.83 8.00 -1.26 -4.64 116.55 124.08 2ron n ASP 206 Ca -0.05 0.03 0.23 0.00 0.71 0.00 0.00 54.79 55.70 2ron n ASP 206 Cb 0.44 -1.00 0.72 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.83 0.53 -2.42 0.53 6.09 -1.60 -3.31 117.51 115.50 2ron h ILE 207 Ca -0.50 0.00 -0.50 0.00 -1.37 0.00 0.00 64.86 62.49 2ron h ILE 207 Cb 1.34 0.65 -0.37 0.00 0.47 0.00 0.00 36.82 38.91 2ron h ILE 207 CO 0.36 0.00 -0.78 -0.89 -3.07 0.00 0.00 178.15 173.76 2ron s THR 208 N -4.83 -0.05 -0.07 2.19 2.01 -1.25 -5.07 115.64 108.56 2ron s THR 208 Ca -0.05 -1.29 0.04 0.00 0.31 0.00 0.00 61.69 60.70 2ron s THR 208 Cb 0.18 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 2ron s THR 208 CO 0.66 -0.81 -0.19 0.72 -0.69 0.00 0.00 174.62 174.31 2ron s PHE 209 N 1.41 2.61 0.04 4.92 -0.71 -1.25 -2.44 117.98 122.57 2ron s PHE 209 Ca 0.16 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 2ron s PHE 209 Cb -0.19 -1.66 -0.03 0.00 -1.21 0.00 0.00 43.02 39.92 2ron s PHE 209 CO -0.08 -0.07 -0.04 -1.58 -1.34 0.00 0.00 175.22 172.11 2ron s HIS 210 N -0.26 0.49 -0.08 3.49 2.46 -1.24 -5.03 115.29 115.12 2ron s HIS 210 Ca 0.00 -0.79 0.00 0.00 0.47 0.00 0.00 55.06 54.75 2ron s HIS 210 Cb -0.13 -0.33 0.02 0.00 -0.13 0.00 0.00 32.58 32.01 2ron s HIS 210 CO 0.03 -0.25 -0.05 1.14 -2.47 0.00 0.00 174.74 173.14 2ron s GLN 211 N -2.74 1.11 -0.31 2.88 -2.07 -1.26 -1.42 119.66 115.86 2ron s GLN 211 Ca -0.03 -0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.38 2ron s GLN 211 Cb -0.01 -1.19 0.10 0.00 -1.09 0.00 0.00 33.01 30.81 2ron s GLN 211 CO -0.05 -0.19 0.07 0.12 -1.32 0.00 0.00 175.29 173.93 2ron s PHE 212 N 1.42 2.22 0.07 9.60 5.36 -0.66 -4.95 117.98 131.03 2ron s PHE 212 Ca -0.02 -2.01 0.06 0.00 -0.96 0.00 0.00 56.93 54.01 2ron s PHE 212 Cb -0.13 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 2ron s PHE 212 CO -0.03 -0.88 -0.12 0.16 -1.46 0.00 0.00 175.22 172.89 2ron s ASP 213 N 1.44 4.27 0.00 6.13 1.47 -1.26 -1.86 116.67 126.86 2ron s ASP 213 Ca 0.09 -0.35 0.00 0.00 1.18 0.00 0.00 52.55 53.46 2ron s ASP 213 Cb -0.18 -0.82 0.00 0.00 -0.34 0.00 0.00 42.92 41.59 2ron s ASP 213 CO -0.19 0.22 0.00 0.61 0.68 0.00 0.00 175.17 176.49 2ron n GLY 214 N 1.10 -0.38 0.00 2.12 0.00 -1.22 -4.72 105.19 102.10 2ron n GLY 214 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 1.82 1.83 0.00 -0.02 0.00 -1.01 -4.85 105.19 102.97 2ron n GLY 215 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.02 0.00 -0.68 1.61 8.25 0.99 -4.59 115.22 120.81 2ron n HIS 216 Ca 0.00 -0.11 -0.32 0.00 -0.26 0.00 0.00 57.72 57.02 2ron n HIS 216 Cb 0.00 -0.01 0.17 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.11 -1.55 -0.33 -0.41 0.00 -1.24 -4.60 117.12 108.88 2ron n MET 217 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 57.70 57.25 2ron n MET 217 Cb 0.30 -1.69 0.15 0.00 0.00 0.00 0.00 33.22 31.98 2ron n MET 217 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2ron h PHE 218 N -2.04 1.16 0.07 1.12 -0.00 -1.91 -2.43 116.94 112.92 2ron h PHE 218 Ca -0.53 0.03 -0.34 0.00 -0.00 0.00 0.00 57.97 57.13 2ron h PHE 218 Cb 1.36 -0.39 -0.03 0.00 -0.00 0.00 0.00 35.95 36.88 2ron h PHE 218 CO 0.16 0.73 -1.89 -0.11 -0.00 0.00 0.00 178.31 177.20 2ron n LEU 219 N -4.39 1.89 -0.35 2.10 -0.00 -1.26 -3.87 117.00 111.13 2ron n LEU 219 Ca 0.11 0.29 0.13 0.00 -0.00 0.00 0.00 56.01 56.54 2ron n LEU 219 Cb 0.02 -0.57 0.33 0.00 -0.00 0.00 0.00 43.42 43.20 2ron n LEU 219 CO 0.37 0.66 1.20 -0.07 -0.00 0.00 0.00 177.39 179.55 2ron h LEU 220 N 0.04 0.77 -0.39 -1.96 -0.00 -1.85 0.43 115.31 112.35 2ron h LEU 220 Ca -0.37 0.09 -0.18 0.00 -0.00 0.00 0.00 57.88 57.42 2ron h LEU 220 Cb 2.03 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 42.64 2ron h LEU 220 CO 0.08 0.28 -0.55 0.77 -0.00 0.00 0.00 178.44 179.02 2ron h SER 221 N 0.75 0.83 -0.07 -0.43 4.64 -1.59 -3.24 113.55 114.43 2ron h SER 221 Ca 0.57 -0.44 0.02 0.00 -0.47 0.00 0.00 61.79 61.46 2ron h SER 221 Cb 0.91 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 2ron h SER 221 CO -0.36 1.21 -0.03 -0.61 -0.87 0.00 0.00 176.83 176.17 2ron h GLN 222 N 0.57 -0.03 -4.12 4.77 4.15 -1.06 -3.34 115.11 116.05 2ron h GLN 222 Ca 0.01 0.00 -0.76 0.00 0.77 0.00 0.00 58.65 58.67 2ron h GLN 222 Cb 1.13 0.01 -0.24 0.00 0.21 0.00 0.00 27.48 28.59 2ron h GLN 222 CO 0.11 -0.02 0.13 0.95 -1.93 0.00 0.00 178.83 178.08 2ron s THR 223 N -6.19 5.34 0.38 2.39 -4.23 -0.67 -4.88 115.64 107.79 2ron s THR 223 Ca -0.13 -2.02 0.21 0.00 -1.18 0.00 0.00 61.69 58.57 2ron s THR 223 Cb 0.08 -4.49 0.22 0.00 1.34 0.00 0.00 72.50 69.65 2ron s THR 223 CO 0.67 -1.07 1.98 1.05 -0.54 0.00 0.00 174.62 176.71 2ron h GLU 224 N 8.27 0.00 0.14 3.99 4.11 -1.73 -3.00 114.58 126.37 2ron h GLU 224 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 2ron h GLU 224 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2ron h GLU 224 CO 0.89 0.20 -0.10 0.93 0.07 0.00 0.00 179.01 181.00 2ron h GLU 225 N 0.00 -0.24 -0.95 1.06 5.08 -1.90 -1.65 114.58 115.98 2ron h GLU 225 Ca -0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2ron h GLU 225 Cb 0.45 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2ron h GLU 225 CO 0.03 -0.16 0.63 0.28 -1.00 0.00 0.00 179.01 178.78 2ron h VAL 226 N -0.25 1.22 0.22 3.13 2.07 -1.88 0.39 116.25 121.15 2ron h VAL 226 Ca -0.01 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2ron h VAL 226 Cb 0.22 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2ron h VAL 226 CO -0.00 0.23 -0.12 0.00 0.02 0.00 0.00 177.57 177.70 2ron h ALA 227 N 1.36 -1.03 -0.53 1.67 0.00 -1.41 -0.91 119.26 118.41 2ron h ALA 227 Ca 0.36 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2ron h ALA 227 Cb -0.10 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2ron h ALA 227 CO -0.09 -1.01 0.37 1.49 0.00 0.00 0.00 179.25 180.01 2ron h GLU 228 N -0.31 0.12 0.11 0.00 4.81 -1.30 -1.70 114.58 116.31 2ron h GLU 228 Ca -0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2ron h GLU 228 Cb 0.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2ron h GLU 228 CO 0.04 0.08 -0.05 0.00 -0.73 0.00 0.00 179.01 178.34 2ron h ARG 229 N 0.12 -0.14 -0.36 1.92 2.47 -0.67 -2.03 114.38 115.69 2ron h ARG 229 Ca 0.25 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 2ron h ARG 229 Cb 0.84 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.17 2ron h ARG 229 CO -0.03 0.01 0.19 0.82 0.56 0.00 0.00 179.97 181.52 2ron h ILE 230 N -0.26 1.15 -0.29 2.04 2.04 -0.30 -2.38 117.51 119.51 2ron h ILE 230 Ca -0.01 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.50 2ron h ILE 230 Cb 0.21 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 2ron h ILE 230 CO 0.02 0.16 -0.16 0.15 0.00 0.00 0.00 178.15 178.32 2ron h PHE 231 N 0.45 -0.41 0.35 1.37 3.57 -1.30 0.33 116.94 121.29 2ron h PHE 231 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2ron h PHE 231 Cb 0.08 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2ron h PHE 231 CO -0.02 -0.24 -0.24 0.00 -2.23 0.00 0.00 178.31 175.57 2ron h ALA 232 N 1.08 -1.04 -0.82 2.41 0.00 -1.23 -1.31 119.26 118.35 2ron h ALA 232 Ca 0.16 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.19 2ron h ALA 232 Cb 0.36 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2ron h ALA 232 CO -0.38 -1.03 0.61 0.97 0.00 0.00 0.00 179.25 179.42 2ron h ILE 233 N -0.56 0.56 -0.35 0.00 6.09 -1.30 0.99 117.51 122.94 2ron h ILE 233 Ca -0.05 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 63.37 2ron h ILE 233 Cb 0.46 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 2ron h ILE 233 CO 0.03 0.00 -0.07 -0.07 -3.07 0.00 0.00 178.15 174.97 2ron h LEU 234 N 0.00 0.66 -0.83 2.19 3.38 0.20 0.35 115.31 121.25 2ron h LEU 234 Ca 0.39 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ron h LEU 234 Cb 1.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2ron h LEU 234 CO -0.00 0.86 0.00 0.78 0.09 0.00 0.00 178.44 180.16 2ron h ASN 235 N 0.45 0.00 -0.02 -0.43 2.35 0.31 -2.69 115.58 115.55 2ron h ASN 235 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2ron h ASN 235 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2ron h ASN 235 CO 0.03 0.00 -0.25 0.00 -1.65 0.00 0.00 177.43 175.56 2ron n GLN 236 N -2.68 1.58 0.03 0.81 3.00 -0.71 -4.51 117.38 114.90 2ron n GLN 236 Ca 0.02 -1.06 -0.14 0.00 -0.01 0.00 0.00 57.00 55.81 2ron n GLN 236 Cb 0.32 -1.32 -0.08 0.00 0.00 0.00 0.00 30.24 29.16 2ron n GLN 236 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2ron h HIS 237 N 2.40 -1.39 -0.39 1.08 -0.00 0.04 -2.49 115.15 114.40 2ron h HIS 237 Ca 0.00 0.05 -0.16 0.00 -0.00 0.00 0.00 60.37 60.26 2ron h HIS 237 Cb 0.64 0.61 -0.01 0.00 -0.00 0.00 0.00 27.41 28.65 2ron h HIS 237 CO 0.00 -0.53 -0.38 -1.00 -0.00 0.00 0.00 177.93 176.02 2ron h PRO 238 N -0.59 0.94 -3.36 5.26 0.13 -1.81 -3.42 132.00 129.16 2ron h PRO 238 Ca 0.04 -0.49 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 2ron h PRO 238 Cb 0.68 0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.42 2ron h PRO 238 CO -0.37 1.15 -0.76 0.96 -0.23 0.00 0.00 178.00 178.75 2ron s ILE 239 N -4.41 0.31 0.50 -3.56 -4.36 -1.03 -5.14 121.20 103.51 2ron s ILE 239 Ca -0.11 -0.44 -0.20 0.00 -0.26 0.00 0.00 60.65 59.63 2ron s ILE 239 Cb 0.11 -0.89 -0.08 0.00 1.25 0.00 0.00 42.46 42.86 2ron s ILE 239 CO 0.88 -0.25 1.07 0.27 0.24 0.00 0.00 174.94 177.14 2ron s ILE 240 N 1.95 3.61 0.48 8.37 -4.36 -0.97 -4.27 121.20 126.01 2ron s ILE 240 Ca 0.00 1.01 -0.05 0.00 -0.26 0.00 0.00 60.65 61.36 2ron s ILE 240 Cb -0.17 -3.41 -0.03 0.00 1.25 0.00 0.00 42.46 40.09 2ron s ILE 240 CO -0.09 -0.20 0.78 -1.10 0.24 0.00 0.00 174.94 174.56 2ron s GLN 241 N -3.21 3.51 0.00 0.37 -1.52 -1.26 -5.09 119.66 112.46 2ron s GLN 241 Ca 0.68 0.16 0.16 0.00 -1.95 0.00 0.00 55.36 54.41 2ron s GLN 241 Cb -0.19 -2.38 0.93 0.00 -0.22 0.00 0.00 33.01 31.15 2ron s GLN 241 CO 0.22 -0.21 1.34 -0.35 -0.25 0.00 0.00 175.29 176.04