#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfa s LYS 2 N 0.00 1.13 0.01 2.12 -2.85 -1.26 -0.38 119.74 118.52 2dfa s LYS 2 Ca 0.00 -1.40 -0.22 0.00 -1.00 0.00 0.00 55.97 53.35 2dfa s LYS 2 Cb 0.00 -0.92 0.05 0.00 -2.06 0.00 0.00 37.83 34.90 2dfa s LYS 2 CO 0.00 0.16 0.49 0.54 0.10 0.00 0.00 175.35 176.64 2dfa s VAL 3 N -2.68 0.03 -0.12 1.79 0.11 0.21 -4.92 120.40 114.82 2dfa s VAL 3 Ca 0.15 -0.28 -0.07 0.00 -2.93 0.00 0.00 61.98 58.85 2dfa s VAL 3 Cb -0.02 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2dfa s VAL 3 CO 0.04 -0.15 0.14 -0.62 -3.33 0.00 0.00 175.10 171.18 2dfa s ASP 4 N -1.69 6.38 -0.23 3.54 -1.08 -1.03 -1.34 116.67 121.22 2dfa s ASP 4 Ca -0.08 0.46 -0.04 0.00 -0.52 0.00 0.00 52.55 52.37 2dfa s ASP 4 Cb -0.01 -2.08 -0.01 0.00 -1.46 0.00 0.00 42.92 39.36 2dfa s ASP 4 CO 0.02 0.39 -0.03 -0.76 0.52 0.00 0.00 175.17 175.30 2dfa s LEU 5 N -0.91 2.97 0.14 -1.34 2.01 -1.26 -0.12 118.68 120.17 2dfa s LEU 5 Ca 0.15 -0.40 0.10 0.00 0.01 0.00 0.00 54.13 53.99 2dfa s LEU 5 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 2dfa s LEU 5 CO 0.04 -0.03 -0.25 0.54 1.01 0.00 0.00 176.35 177.66 2dfa s ASN 6 N 1.49 3.18 0.00 2.29 2.20 -0.22 -0.87 114.94 123.01 2dfa s ASN 6 Ca 0.06 -0.77 -0.13 0.00 -0.94 0.00 0.00 52.86 51.08 2dfa s ASN 6 Cb -0.14 -0.21 0.02 0.00 -2.00 0.00 0.00 41.25 38.91 2dfa s ASN 6 CO -0.03 0.14 0.27 0.00 -2.94 0.00 0.00 177.10 174.54 2dfa s ALA 7 N -1.26 -0.65 0.52 3.54 0.00 -1.07 -0.84 121.76 122.00 2dfa s ALA 7 Ca 0.14 0.14 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 2dfa s ALA 7 Cb -0.09 0.15 -0.07 0.00 0.00 0.00 0.00 23.12 23.11 2dfa s ALA 7 CO 0.07 -0.29 1.03 -0.51 0.00 0.00 0.00 175.76 176.05 2dfa s ASP 8 N -1.56 6.25 0.29 0.00 1.01 -1.26 -1.38 116.67 120.03 2dfa s ASP 8 Ca -0.11 1.80 -0.20 0.00 0.71 0.00 0.00 52.55 54.75 2dfa s ASP 8 Cb -0.04 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.40 2dfa s ASP 8 CO 0.02 -0.84 0.83 0.00 0.21 0.00 0.00 175.17 175.38 2dfa s ALA 9 N -2.28 -1.14 -1.64 5.23 0.00 -0.44 -4.81 121.76 116.69 2dfa s ALA 9 Ca 0.64 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2dfa s ALA 9 Cb -0.14 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2dfa s ALA 9 CO 0.27 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2dfa n GLY 10 N -0.53 -0.30 0.31 0.00 0.00 -1.26 -2.56 105.19 100.86 2dfa n GLY 10 Ca -0.06 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.01 2dfa n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dfa n GLU 11 N -2.80 1.17 -1.77 1.61 1.02 -1.26 -3.35 120.64 115.26 2dfa n GLU 11 Ca -0.22 -0.63 -0.36 0.00 -0.02 0.00 0.00 57.16 55.92 2dfa n GLU 11 Cb 0.67 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.66 2dfa n GLU 11 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dfa s SER 12 N -2.27 4.68 -0.17 1.62 0.01 -1.26 -2.72 113.70 113.60 2dfa s SER 12 Ca 0.32 2.55 -0.02 0.00 1.31 0.00 0.00 55.95 60.10 2dfa s SER 12 Cb 0.20 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.87 2dfa s SER 12 CO 0.43 -1.95 0.01 -0.47 0.41 0.00 0.00 173.24 171.68 2dfa s TYR 13 N -1.50 1.14 0.00 2.43 5.04 -0.24 -1.63 117.35 122.59 2dfa s TYR 13 Ca 0.81 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 2dfa s TYR 13 Cb -0.35 -1.06 0.00 0.00 0.35 0.00 0.00 41.96 40.90 2dfa s TYR 13 CO 0.39 -0.57 0.00 0.41 -1.34 0.00 0.00 175.55 174.44 2dfa n GLY 14 N 5.02 3.70 0.05 8.97 0.00 -1.26 -0.47 105.19 121.20 2dfa n GLY 14 Ca -0.09 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2dfa n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfa n ALA 15 N 11.74 2.07 -2.74 4.61 0.00 -1.26 -4.60 120.51 130.32 2dfa n ALA 15 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2dfa n ALA 15 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 2dfa n ALA 15 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2dfa s PHE 16 N -3.08 2.78 0.31 0.00 0.08 0.38 -5.01 117.98 113.45 2dfa s PHE 16 Ca 0.10 -1.02 -0.29 0.00 0.12 0.00 0.00 56.93 55.84 2dfa s PHE 16 Cb 0.14 -4.48 -0.10 0.00 -0.57 0.00 0.00 43.02 38.00 2dfa s PHE 16 CO 0.47 -1.73 1.30 0.00 -0.10 0.00 0.00 175.22 175.16 2dfa s ALA 17 N 3.95 3.50 -0.00 5.36 0.00 -1.26 -1.08 121.76 132.23 2dfa s ALA 17 Ca 0.38 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.55 2dfa s ALA 17 Cb -0.04 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 2dfa s ALA 17 CO -0.07 -0.59 0.01 -0.47 0.00 0.00 0.00 175.76 174.64 2dfa s TYR 18 N -0.92 0.01 0.00 0.00 5.04 -1.26 -4.92 117.35 115.31 2dfa s TYR 18 Ca 0.50 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 2dfa s TYR 18 Cb -0.39 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 41.91 2dfa s TYR 18 CO 0.49 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 175.09 2dfa n GLY 19 N 2.94 -1.85 2.55 8.97 0.00 -1.26 -4.26 105.19 112.29 2dfa n GLY 19 Ca -0.13 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 2dfa n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dfa n HIS 20 N 0.00 1.24 -0.27 1.61 8.25 -1.26 -4.96 115.22 119.83 2dfa n HIS 20 Ca 0.00 -3.07 0.09 0.00 -0.26 0.00 0.00 57.72 54.48 2dfa n HIS 20 Cb 0.00 -0.36 0.23 0.00 1.12 0.00 0.00 29.99 30.98 2dfa n HIS 20 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2dfa h ASP 21 N 2.96 0.13 -0.82 0.41 5.19 -1.93 0.07 116.42 122.43 2dfa h ASP 21 Ca -0.01 0.15 0.06 0.00 -0.62 0.00 0.00 57.03 56.60 2dfa h ASP 21 Cb 1.09 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.73 2dfa h ASP 21 CO 0.54 -0.03 0.54 0.03 -3.12 0.00 0.00 179.24 177.20 2dfa h ARG 22 N 0.32 0.91 0.03 3.56 3.08 -1.98 -0.46 114.38 119.84 2dfa h ARG 22 Ca 0.48 -0.05 -0.26 0.00 0.07 0.00 0.00 59.98 60.22 2dfa h ARG 22 Cb 0.86 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2dfa h ARG 22 CO -0.53 0.60 -1.33 0.93 -1.07 0.00 0.00 179.97 178.57 2dfa h GLU 23 N 0.94 0.06 0.22 0.04 3.07 -1.53 -3.39 114.58 113.99 2dfa h GLU 23 Ca 0.35 -0.11 -0.32 0.00 -0.50 0.00 0.00 59.36 58.78 2dfa h GLU 23 Cb 0.17 0.04 0.03 0.00 -0.84 0.00 0.00 28.75 28.15 2dfa h GLU 23 CO -0.12 0.88 -1.44 0.82 -1.40 0.00 0.00 179.01 177.76 2dfa h ILE 24 N 0.02 1.24 -0.99 3.13 1.08 -0.73 -3.38 117.51 117.88 2dfa h ILE 24 Ca -0.15 -2.63 0.17 0.00 -0.39 0.00 0.00 64.86 61.86 2dfa h ILE 24 Cb 1.90 3.01 -0.09 0.00 -3.07 0.00 0.00 36.82 38.56 2dfa h ILE 24 CO 0.12 0.80 0.62 -0.26 -0.69 0.00 0.00 178.15 178.74 2dfa h PHE 25 N 0.04 1.03 0.00 1.37 -1.00 -1.28 0.05 116.94 117.15 2dfa h PHE 25 Ca -0.26 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.55 2dfa h PHE 25 Cb 2.07 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 41.31 2dfa h PHE 25 CO 0.13 0.30 0.00 -0.35 -1.61 0.00 0.00 178.31 176.79 2dfa n PRO 26 N -4.68 0.31 -0.04 1.51 -0.04 -1.26 -3.28 135.00 127.53 2dfa n PRO 26 Ca 0.21 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2dfa n PRO 26 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 2dfa n PRO 26 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dfa n LEU 27 N -1.25 0.00 -4.94 1.53 4.77 -0.03 -5.03 117.00 112.05 2dfa n LEU 27 Ca 0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 2dfa n LEU 27 Cb 0.14 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2dfa n LEU 27 CO 0.14 0.17 -0.02 0.68 -1.33 0.00 0.00 177.39 177.03 2dfa s VAL 28 N -2.68 4.34 -0.04 4.08 -7.23 -1.03 -4.87 120.40 112.96 2dfa s VAL 28 Ca -0.06 -1.11 0.20 0.00 -1.81 0.00 0.00 61.98 59.20 2dfa s VAL 28 Cb 0.07 -3.49 -0.31 0.00 0.56 0.00 0.00 36.38 33.21 2dfa s VAL 28 CO 0.59 -0.23 0.41 -1.54 -0.31 0.00 0.00 175.10 174.02 2dfa n SER 29 N -1.47 0.32 -3.98 4.85 3.41 -0.05 -4.83 113.62 111.87 2dfa n SER 29 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.48 2dfa n SER 29 Cb 0.58 1.84 -0.11 0.00 -0.26 0.00 0.00 64.21 66.27 2dfa n SER 29 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dfa s SER 30 N -4.45 0.24 0.04 4.04 1.04 -0.71 -1.30 113.70 112.60 2dfa s SER 30 Ca -0.08 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2dfa s SER 30 Cb 0.12 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2dfa s SER 30 CO 0.84 -0.35 -0.11 0.00 0.98 0.00 0.00 173.24 174.60 2dfa s ALA 31 N -1.77 0.92 -0.38 5.32 0.00 0.42 -2.61 121.76 123.65 2dfa s ALA 31 Ca -0.13 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 2dfa s ALA 31 Cb -0.07 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.02 2dfa s ALA 31 CO -0.02 0.13 0.19 -0.80 0.00 0.00 0.00 175.76 175.26 2dfa s ASN 32 N -1.29 5.49 -0.05 0.00 0.01 -0.48 -0.82 114.94 117.81 2dfa s ASN 32 Ca -0.03 -1.38 -0.19 0.00 -0.71 0.00 0.00 52.86 50.56 2dfa s ASN 32 Cb -0.08 -1.93 -0.05 0.00 0.41 0.00 0.00 41.25 39.60 2dfa s ASN 32 CO 0.01 -0.45 0.52 -0.76 -1.51 0.00 0.00 177.10 174.91 2dfa s LEU 33 N 1.40 4.37 0.70 0.60 1.02 -0.21 -1.33 118.68 125.23 2dfa s LEU 33 Ca 0.02 0.99 -0.16 0.00 0.02 0.00 0.00 54.13 55.00 2dfa s LEU 33 Cb -0.21 -2.78 0.02 0.00 0.02 0.00 0.00 46.19 43.24 2dfa s LEU 33 CO 0.02 0.09 1.20 0.00 0.02 0.00 0.00 176.35 177.68 2dfa s ALA 34 N 0.02 2.24 -0.19 4.21 0.00 -1.06 -0.73 121.76 126.24 2dfa s ALA 34 Ca 0.28 0.87 0.13 0.00 0.00 0.00 0.00 51.96 53.25 2dfa s ALA 34 Cb -0.17 -3.45 0.40 0.00 0.00 0.00 0.00 23.12 19.90 2dfa s ALA 34 CO 0.14 -1.68 1.24 0.00 0.00 0.00 0.00 175.76 175.45 2dfa n GLY 36 N -1.19 0.74 0.12 0.00 0.00 0.88 -4.82 105.19 100.93 2dfa n GLY 36 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 2dfa n GLY 36 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dfa n PHE 37 N -2.00 0.53 0.54 1.61 3.01 -1.26 -4.54 117.46 115.35 2dfa n PHE 37 Ca 0.00 0.21 0.06 0.00 1.01 0.00 0.00 57.45 58.73 2dfa n PHE 37 Cb 0.00 -1.06 0.04 0.00 -0.01 0.00 0.00 39.48 38.46 2dfa n PHE 37 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 2dfa n HIS 38 N -4.21 0.00 -0.21 1.38 1.44 -1.25 -2.76 115.22 109.61 2dfa n HIS 38 Ca -0.43 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.28 2dfa n HIS 38 Cb 0.82 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.93 2dfa n HIS 38 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2dfa n GLY 39 N 0.77 -2.09 1.91 -1.39 0.00 -1.26 -4.47 105.19 98.66 2dfa n GLY 39 Ca 0.07 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 2dfa n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfa n GLY 40 N -0.53 -0.65 3.74 -0.02 0.00 -0.64 -0.08 105.19 107.00 2dfa n GLY 40 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2dfa n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dfa s SER 41 N -2.00 4.00 0.23 1.61 1.04 -1.10 -2.02 113.70 115.46 2dfa s SER 41 Ca 0.02 1.80 -0.10 0.00 0.48 0.00 0.00 55.95 58.16 2dfa s SER 41 Cb -0.01 -2.45 0.35 0.00 0.10 0.00 0.00 66.02 64.01 2dfa s SER 41 CO 0.21 -2.35 1.63 -0.65 0.98 0.00 0.00 173.24 173.05 2dfa h PRO 42 N -1.35 0.06 -0.64 4.02 0.11 -1.96 0.09 132.00 132.32 2dfa h PRO 42 Ca -0.45 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2dfa h PRO 42 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2dfa h PRO 42 CO 0.51 0.04 0.24 0.78 -0.21 0.00 0.00 178.00 179.35 2dfa h GLY 43 N 0.06 1.02 1.87 -0.55 0.00 -1.98 -1.52 103.07 101.97 2dfa h GLY 43 Ca 0.37 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 2dfa h GLY 43 CO -0.67 0.51 -0.55 3.21 0.00 0.00 0.00 176.54 179.04 2dfa h ARG 44 N 0.93 0.14 -0.06 4.80 2.47 -1.51 -1.36 114.38 119.79 2dfa h ARG 44 Ca 0.22 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2dfa h ARG 44 Cb 0.21 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2dfa h ARG 44 CO -0.02 0.65 -0.01 0.82 0.56 0.00 0.00 179.97 181.98 2dfa h ILE 45 N 0.11 1.28 -0.77 2.04 2.04 -0.59 -0.96 117.51 120.65 2dfa h ILE 45 Ca -0.00 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.05 2dfa h ILE 45 Cb 1.01 1.75 -0.06 0.00 -0.74 0.00 0.00 36.82 38.77 2dfa h ILE 45 CO 0.08 0.24 0.45 0.25 0.00 0.00 0.00 178.15 179.17 2dfa h LEU 46 N -0.21 0.66 -0.44 1.44 5.85 -1.18 0.23 115.31 121.66 2dfa h LEU 46 Ca 0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2dfa h LEU 46 Cb 0.39 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2dfa h LEU 46 CO 0.01 0.41 0.22 -0.08 -0.34 0.00 0.00 178.44 178.65 2dfa h GLU 47 N 0.79 0.63 -0.53 1.25 4.81 -1.12 -1.44 114.58 118.98 2dfa h GLU 47 Ca 0.35 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2dfa h GLU 47 Cb 0.25 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2dfa h GLU 47 CO -0.20 0.54 -0.06 0.00 -0.73 0.00 0.00 179.01 178.56 2dfa h ALA 48 N 1.06 0.90 -0.55 2.92 0.00 -0.43 -1.21 119.26 121.95 2dfa h ALA 48 Ca 0.15 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2dfa h ALA 48 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2dfa h ALA 48 CO -0.02 0.64 0.00 0.28 0.00 0.00 0.00 179.25 180.15 2dfa h VAL 49 N 0.86 1.26 -0.61 0.00 2.07 -0.84 -0.45 116.25 118.54 2dfa h VAL 49 Ca 0.15 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 2dfa h VAL 49 Cb 0.58 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2dfa h VAL 49 CO 0.04 0.40 0.19 0.03 0.02 0.00 0.00 177.57 178.25 2dfa h ARG 50 N 0.86 0.94 -0.31 1.57 3.08 -1.03 -1.10 114.38 118.39 2dfa h ARG 50 Ca 0.16 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2dfa h ARG 50 Cb 0.53 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2dfa h ARG 50 CO 0.03 0.84 0.13 1.25 -1.07 0.00 0.00 179.97 181.14 2dfa h LEU 51 N 0.87 0.43 -0.52 3.04 5.85 -0.99 -0.79 115.31 123.20 2dfa h LEU 51 Ca 0.20 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2dfa h LEU 51 Cb 0.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2dfa h LEU 51 CO -0.01 0.47 0.32 0.00 -0.34 0.00 0.00 178.44 178.89 2dfa h ALA 52 N 0.97 0.66 -0.60 1.25 0.00 -0.90 -1.38 119.26 119.27 2dfa h ALA 52 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dfa h ALA 52 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2dfa h ALA 52 CO -0.01 0.04 0.38 -0.22 0.00 0.00 0.00 179.25 179.44 2dfa h LYS 53 N 0.64 0.80 -0.19 0.00 3.64 -0.98 0.15 116.57 120.62 2dfa h LYS 53 Ca 0.20 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2dfa h LYS 53 Cb -0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2dfa h LYS 53 CO -0.08 0.55 0.03 0.00 -2.27 0.00 0.00 179.45 177.68 2dfa h ALA 54 N 1.20 1.69 -0.58 5.00 0.00 -0.64 -2.40 119.26 123.53 2dfa h ALA 54 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dfa h ALA 54 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2dfa h ALA 54 CO -0.04 0.24 0.00 0.72 0.00 0.00 0.00 179.25 180.17 2dfa n HIS 55 N -4.40 0.76 -3.08 0.00 8.25 -0.57 -4.96 115.22 111.22 2dfa n HIS 55 Ca -0.00 -0.39 -0.22 0.00 -0.26 0.00 0.00 57.72 56.85 2dfa n HIS 55 Cb 0.16 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.31 2dfa n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dfa n GLY 56 N 1.57 -0.49 3.80 -1.41 0.00 0.25 -4.95 105.19 103.97 2dfa n GLY 56 Ca 0.22 0.13 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 2dfa n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dfa s VAL 57 N -3.19 5.28 0.20 1.61 1.01 0.26 -4.99 120.40 120.58 2dfa s VAL 57 Ca 0.33 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 2dfa s VAL 57 Cb -0.15 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2dfa s VAL 57 CO 0.41 0.51 1.10 0.00 0.00 0.00 0.00 175.10 177.13 2dfa s ALA 58 N -0.42 3.38 -0.14 5.51 0.00 -0.42 -4.50 121.76 125.18 2dfa s ALA 58 Ca 0.18 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 2dfa s ALA 58 Cb -0.14 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2dfa s ALA 58 CO 0.07 -0.20 -0.02 0.08 0.00 0.00 0.00 175.76 175.68 2dfa s VAL 59 N -0.44 4.03 0.25 0.00 1.01 -1.26 -0.44 120.40 123.55 2dfa s VAL 59 Ca 0.48 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2dfa s VAL 59 Cb -0.30 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2dfa s VAL 59 CO 0.36 0.51 -0.07 -0.83 0.00 0.00 0.00 175.10 175.08 2dfa s GLY 60 N 0.09 1.68 0.16 4.51 0.00 0.00 -0.11 107.32 113.66 2dfa s GLY 60 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 42.69 2dfa s GLY 60 CO 0.02 -1.79 0.70 0.00 0.00 0.00 0.00 173.10 172.03 2dfa s ALA 61 N -3.07 3.48 -0.59 3.20 0.00 0.08 -1.04 121.76 123.82 2dfa s ALA 61 Ca 0.27 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.49 2dfa s ALA 61 Cb 0.03 -2.81 0.28 0.00 0.00 0.00 0.00 23.12 20.61 2dfa s ALA 61 CO 0.10 0.34 0.78 1.58 0.00 0.00 0.00 175.76 178.56 2dfa n HIS 62 N 1.28 3.26 -2.11 0.00 -0.00 0.09 -0.53 115.22 117.21 2dfa n HIS 62 Ca -0.06 -4.05 -0.38 0.00 -0.00 0.00 0.00 57.72 53.24 2dfa n HIS 62 Cb 0.50 -0.52 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 2dfa n HIS 62 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2dfa s PRO 63 N -2.61 3.65 0.31 1.57 0.04 -1.25 -4.16 135.00 132.55 2dfa s PRO 63 Ca 0.42 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.46 2dfa s PRO 63 Cb 0.19 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2dfa s PRO 63 CO -0.05 -0.69 0.31 0.41 0.04 0.00 0.00 177.00 177.02 2dfa n GLY 64 N 0.56 2.78 3.76 0.56 0.00 -1.26 0.08 105.19 111.67 2dfa n GLY 64 Ca 0.07 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2dfa n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dfa s PHE 65 N -3.20 2.49 -1.31 1.61 0.08 -1.26 -4.81 117.98 111.58 2dfa s PHE 65 Ca 0.35 1.57 -0.17 0.00 0.12 0.00 0.00 56.93 58.79 2dfa s PHE 65 Cb 0.01 -3.22 0.08 0.00 -0.57 0.00 0.00 43.02 39.32 2dfa s PHE 65 CO 0.25 -1.88 1.78 -0.35 -0.10 0.00 0.00 175.22 174.91 2dfa n PRO 66 N -2.57 3.18 -3.06 0.24 -0.04 -1.26 -3.97 135.00 127.51 2dfa n PRO 66 Ca 0.11 -3.25 -0.16 0.00 -0.04 0.00 0.00 63.50 60.16 2dfa n PRO 66 Cb 0.52 -3.42 -0.04 0.00 -0.04 0.00 0.00 33.50 30.52 2dfa n PRO 66 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dfa n ASP 67 N 7.75 -1.90 0.13 3.54 2.03 -1.23 -5.03 116.55 121.84 2dfa n ASP 67 Ca 0.48 -2.69 -0.14 0.00 0.52 0.00 0.00 54.79 52.97 2dfa n ASP 67 Cb 0.45 0.60 -0.08 0.00 -0.72 0.00 0.00 41.12 41.36 2dfa n ASP 67 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2dfa h LEU 68 N 5.15 -0.23 -1.78 -2.67 5.85 -1.79 0.27 115.31 120.11 2dfa h LEU 68 Ca 0.14 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2dfa h LEU 68 Cb 1.00 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2dfa h LEU 68 CO 0.22 -0.07 0.22 1.62 -0.34 0.00 0.00 178.44 180.09 2dfa h VAL 69 N -0.39 0.99 -0.04 1.05 3.04 -1.91 0.38 116.25 119.37 2dfa h VAL 69 Ca -0.03 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2dfa h VAL 69 Cb 0.30 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2dfa h VAL 69 CO 0.05 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.27 2dfa n GLY 70 N -1.52 0.09 2.41 3.17 0.00 -1.08 -4.92 105.19 103.33 2dfa n GLY 70 Ca 0.03 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 2dfa n GLY 70 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dfa n PHE 71 N 0.24 -1.08 -1.88 1.61 7.35 0.12 -1.62 117.46 122.21 2dfa n PHE 71 Ca 0.18 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.67 2dfa n PHE 71 Cb 0.36 -3.62 -0.06 0.00 0.35 0.00 0.00 39.48 36.51 2dfa n PHE 71 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2dfa n GLY 72 N -0.93 1.10 0.98 7.13 0.00 -0.06 -4.85 105.19 108.56 2dfa n GLY 72 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.92 2dfa n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dfa n ARG 73 N -2.58 2.31 -4.67 1.61 5.12 -0.64 -1.50 116.66 116.31 2dfa n ARG 73 Ca -0.22 -1.95 -0.33 0.00 -1.93 0.00 0.00 57.85 53.42 2dfa n ARG 73 Cb 0.68 -1.48 -0.13 0.00 -1.16 0.00 0.00 32.46 30.36 2dfa n ARG 73 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2dfa s ARG 74 N -1.75 3.36 0.25 5.56 0.52 -1.26 -4.49 118.95 121.14 2dfa s ARG 74 Ca 0.34 -0.63 -0.31 0.00 -0.52 0.00 0.00 55.73 54.61 2dfa s ARG 74 Cb 0.21 -2.69 -0.13 0.00 0.52 0.00 0.00 34.95 32.86 2dfa s ARG 74 CO 0.31 0.28 1.46 -1.91 0.02 0.00 0.00 175.30 175.46 2dfa n GLU 75 N 3.34 2.20 -4.34 3.54 4.07 -1.26 -4.82 120.64 123.37 2dfa n GLU 75 Ca -0.18 0.78 -0.21 0.00 -0.06 0.00 0.00 57.16 57.50 2dfa n GLU 75 Cb 0.53 -2.47 -0.16 0.00 -0.06 0.00 0.00 31.44 29.27 2dfa n GLU 75 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 2dfa s MET 76 N -0.41 1.02 -1.19 5.31 -1.94 -1.26 -5.06 119.30 115.77 2dfa s MET 76 Ca 0.67 -0.25 -0.10 0.00 -1.71 0.00 0.00 55.69 54.30 2dfa s MET 76 Cb -0.61 -0.94 -0.07 0.00 2.01 0.00 0.00 34.83 35.22 2dfa s MET 76 CO 0.49 0.03 2.38 0.00 -0.01 0.00 0.00 175.02 177.91 2dfa n ALA 77 N 3.62 5.57 -1.76 3.03 0.00 -1.26 -4.93 120.51 124.79 2dfa n ALA 77 Ca -0.21 -2.87 -0.40 0.00 0.00 0.00 0.00 53.44 49.96 2dfa n ALA 77 Cb 0.53 -3.26 -0.06 0.00 0.00 0.00 0.00 19.45 16.66 2dfa n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dfa s LEU 78 N 0.48 4.58 0.68 0.00 1.02 -1.26 -5.04 118.68 119.14 2dfa s LEU 78 Ca 0.52 1.98 -0.11 0.00 0.02 0.00 0.00 54.13 56.54 2dfa s LEU 78 Cb 0.14 -3.68 -0.00 0.00 0.02 0.00 0.00 46.19 42.66 2dfa s LEU 78 CO -0.03 0.07 1.05 -0.94 0.02 0.00 0.00 176.35 176.53 2dfa s SER 79 N -1.21 5.54 0.43 2.29 1.04 -1.26 -4.82 113.70 115.70 2dfa s SER 79 Ca 0.43 1.59 0.10 0.00 0.48 0.00 0.00 55.95 58.56 2dfa s SER 79 Cb -0.26 -2.49 0.95 0.00 0.10 0.00 0.00 66.02 64.33 2dfa s SER 79 CO 0.32 -1.34 2.04 1.55 0.98 0.00 0.00 173.24 176.79 2dfa h PRO 80 N -0.60 0.45 -0.59 4.02 0.13 -1.96 -0.90 132.00 132.54 2dfa h PRO 80 Ca -0.44 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2dfa h PRO 80 Cb 1.21 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2dfa h PRO 80 CO 0.58 0.30 0.34 0.93 -0.23 0.00 0.00 178.00 179.91 2dfa h GLU 81 N 0.46 0.82 -0.50 0.86 3.07 -1.94 -0.77 114.58 116.57 2dfa h GLU 81 Ca 0.19 -0.09 -0.11 0.00 -0.50 0.00 0.00 59.36 58.85 2dfa h GLU 81 Cb 0.17 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2dfa h GLU 81 CO -0.05 0.61 -0.13 0.93 -1.40 0.00 0.00 179.01 178.97 2dfa h GLU 82 N 0.80 0.94 -0.27 2.33 5.08 -1.58 -2.12 114.58 119.76 2dfa h GLU 82 Ca 0.21 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2dfa h GLU 82 Cb 0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2dfa h GLU 82 CO -0.04 1.01 0.14 0.28 -1.00 0.00 0.00 179.01 179.40 2dfa h VAL 83 N 0.83 1.13 -0.20 3.13 2.07 -0.82 -0.65 116.25 121.73 2dfa h VAL 83 Ca 0.13 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.34 2dfa h VAL 83 Cb 0.68 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2dfa h VAL 83 CO 0.05 0.13 -0.05 0.22 0.02 0.00 0.00 177.57 177.94 2dfa h TYR 84 N 0.31 -0.11 -0.44 1.57 3.20 -1.04 -0.51 116.97 119.96 2dfa h TYR 84 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2dfa h TYR 84 Cb 0.08 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2dfa h TYR 84 CO -0.03 -0.09 0.01 0.00 -1.64 0.00 0.00 178.16 176.41 2dfa h ALA 85 N 1.20 0.59 -0.61 1.82 0.00 -1.26 -1.71 119.26 119.29 2dfa h ALA 85 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2dfa h ALA 85 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2dfa h ALA 85 CO -0.21 0.36 0.20 -0.44 0.00 0.00 0.00 179.25 179.17 2dfa h ASP 86 N 0.60 0.88 -0.40 0.00 5.19 -0.94 -1.16 116.42 120.60 2dfa h ASP 86 Ca 0.12 -0.20 -0.06 0.00 -0.62 0.00 0.00 57.03 56.27 2dfa h ASP 86 Cb 0.47 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 2dfa h ASP 86 CO 0.02 0.84 0.01 0.58 -3.12 0.00 0.00 179.24 177.57 2dfa h VAL 87 N 0.86 1.26 -0.28 -1.35 2.07 -1.04 -2.02 116.25 115.75 2dfa h VAL 87 Ca 0.20 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2dfa h VAL 87 Cb 0.27 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2dfa h VAL 87 CO -0.01 0.34 0.17 -0.07 0.02 0.00 0.00 177.57 178.02 2dfa h LEU 88 N 0.52 0.29 -0.39 2.57 3.38 -1.14 -0.60 115.31 119.94 2dfa h LEU 88 Ca 0.11 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2dfa h LEU 88 Cb 0.46 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2dfa h LEU 88 CO 0.02 0.21 0.06 0.22 0.09 0.00 0.00 178.44 179.04 2dfa h TYR 89 N 0.36 0.09 -0.23 1.13 5.03 -1.12 -0.55 116.97 121.67 2dfa h TYR 89 Ca 0.11 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.39 2dfa h TYR 89 Cb -0.02 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 2dfa h TYR 89 CO -0.07 -0.01 -0.04 1.96 -1.32 0.00 0.00 178.16 178.68 2dfa h GLN 90 N 0.18 0.44 -0.64 1.82 4.20 -1.09 -1.59 115.11 118.43 2dfa h GLN 90 Ca 0.19 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2dfa h GLN 90 Cb 0.23 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2dfa h GLN 90 CO -0.26 0.66 0.42 0.82 -0.67 0.00 0.00 178.83 179.80 2dfa h ILE 91 N 0.19 1.16 -0.44 2.54 2.04 -0.95 -2.17 117.51 119.88 2dfa h ILE 91 Ca 0.06 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2dfa h ILE 91 Cb 0.49 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2dfa h ILE 91 CO 0.02 0.16 0.23 1.23 0.00 0.00 0.00 178.15 179.79 2dfa h GLY 92 N 0.86 0.66 0.83 5.37 0.00 -1.00 -1.17 103.07 108.61 2dfa h GLY 92 Ca 0.24 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.29 2dfa h GLY 92 CO -0.06 0.29 0.12 0.00 0.00 0.00 0.00 176.54 176.89 2dfa h ALA 93 N 1.08 0.32 -0.70 3.60 0.00 -0.98 -2.46 119.26 120.13 2dfa h ALA 93 Ca 0.15 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2dfa h ALA 93 Cb 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2dfa h ALA 93 CO -0.02 -0.28 0.24 1.25 0.00 0.00 0.00 179.25 180.44 2dfa h LEU 94 N 0.26 1.00 -2.23 0.00 5.85 -1.29 -2.78 115.31 116.12 2dfa h LEU 94 Ca 0.12 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2dfa h LEU 94 Cb 0.06 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 2dfa h LEU 94 CO -0.10 0.92 0.11 0.28 -0.34 0.00 0.00 178.44 179.31 2dfa h SER 95 N 1.01 0.00 -0.56 1.25 0.02 -0.76 -1.46 113.55 113.05 2dfa h SER 95 Ca 0.23 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 2dfa h SER 95 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2dfa h SER 95 CO -0.01 0.00 -0.07 0.00 -1.14 0.00 0.00 176.83 175.61 2dfa h ALA 96 N 1.90 0.76 -0.34 3.77 0.00 -1.18 -0.29 119.26 123.88 2dfa h ALA 96 Ca 0.05 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2dfa h ALA 96 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2dfa h ALA 96 CO -0.00 0.65 -0.30 0.74 0.00 0.00 0.00 179.25 180.34 2dfa h PHE 97 N 0.91 0.84 -0.53 0.00 0.04 -1.36 -1.60 116.94 115.24 2dfa h PHE 97 Ca 0.15 -0.21 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 2dfa h PHE 97 Cb 0.63 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 2dfa h PHE 97 CO 0.04 0.94 -0.13 -0.07 -0.60 0.00 0.00 178.31 178.49 2dfa h LEU 98 N 0.62 1.04 -0.50 1.54 3.38 -1.28 -2.09 115.31 118.01 2dfa h LEU 98 Ca 0.07 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2dfa h LEU 98 Cb 0.82 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2dfa h LEU 98 CO 0.07 1.16 0.26 0.50 0.09 0.00 0.00 178.44 180.52 2dfa h LYS 99 N 0.90 0.71 -0.28 1.13 1.63 -0.86 0.31 116.57 120.10 2dfa h LYS 99 Ca 0.13 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2dfa h LYS 99 Cb 0.71 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 2dfa h LYS 99 CO 0.05 0.56 0.08 0.00 -3.45 0.00 0.00 179.45 176.69 2dfa h ALA 100 N 1.10 1.62 -0.55 5.00 0.00 -1.14 -2.14 119.26 123.16 2dfa h ALA 100 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dfa h ALA 100 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dfa h ALA 100 CO -0.03 0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.91 2dfa n GLU 101 N -4.39 2.33 -2.55 0.00 -0.58 -0.80 -4.95 120.64 109.71 2dfa n GLU 101 Ca 0.01 -2.07 -0.18 0.00 -0.42 0.00 0.00 57.16 54.50 2dfa n GLU 101 Cb 0.15 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 2dfa n GLU 101 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dfa n GLY 102 N 1.42 -0.34 3.48 0.62 0.00 -0.36 -5.02 105.19 105.00 2dfa n GLY 102 Ca 0.19 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2dfa n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dfa s LEU 103 N -5.26 2.65 0.44 0.99 1.43 0.93 -5.01 118.68 114.85 2dfa s LEU 103 Ca 0.10 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2dfa s LEU 103 Cb -0.04 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2dfa s LEU 103 CO 0.12 0.15 0.69 -2.16 0.23 0.00 0.00 176.35 175.38 2dfa s PRO 104 N -2.38 3.40 -0.36 1.29 0.04 -1.26 -3.97 135.00 131.76 2dfa s PRO 104 Ca 0.19 -0.12 -0.25 0.00 0.04 0.00 0.00 61.00 60.87 2dfa s PRO 104 Cb -0.10 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.96 2dfa s PRO 104 CO 0.10 -0.12 0.88 -1.17 0.04 0.00 0.00 177.00 176.73 2dfa s LEU 105 N -4.58 4.04 0.08 -3.56 2.96 -1.26 -4.61 118.68 111.74 2dfa s LEU 105 Ca 0.45 0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 54.77 2dfa s LEU 105 Cb -0.10 -3.19 -0.23 0.00 0.50 0.00 0.00 46.19 43.17 2dfa s LEU 105 CO 0.41 -0.80 1.18 -0.74 -1.32 0.00 0.00 176.35 175.08 2dfa h HIS 106 N 8.44 1.01 -2.47 5.38 -0.00 -0.89 -3.49 115.15 123.12 2dfa h HIS 106 Ca -0.24 -0.57 0.07 0.00 -0.00 0.00 0.00 60.37 59.63 2dfa h HIS 106 Cb 1.08 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.37 2dfa h HIS 106 CO 0.82 1.40 0.35 -2.39 -0.00 0.00 0.00 177.93 178.11 2dfa n HIS 107 N -3.83 -1.49 -4.09 5.26 1.44 -1.25 -4.38 115.22 106.88 2dfa n HIS 107 Ca -0.11 -1.12 -0.16 0.00 -2.01 0.00 0.00 57.72 54.33 2dfa n HIS 107 Cb 0.90 0.55 -0.15 0.00 0.12 0.00 0.00 29.99 31.41 2dfa n HIS 107 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2dfa s VAL 108 N -2.24 0.33 -0.21 0.61 1.01 -0.94 -0.74 120.40 118.23 2dfa s VAL 108 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2dfa s VAL 108 Cb -0.03 -0.30 0.10 0.00 0.00 0.00 0.00 36.38 36.16 2dfa s VAL 108 CO 0.06 0.11 0.33 -0.75 0.00 0.00 0.00 175.10 174.85 2dfa s LYS 109 N 0.07 0.27 0.67 2.72 2.20 0.31 -1.35 119.74 124.64 2dfa s LYS 109 Ca -0.00 0.60 -0.17 0.00 -0.36 0.00 0.00 55.97 56.03 2dfa s LYS 109 Cb -0.04 -0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 35.88 2dfa s LYS 109 CO -0.00 -0.51 1.11 -2.30 -0.36 0.00 0.00 175.35 173.29 2dfa n PRO 110 N 5.36 0.80 -4.13 4.03 -0.02 -1.26 -3.74 135.00 136.04 2dfa n PRO 110 Ca -0.05 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.45 2dfa n PRO 110 Cb 0.50 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 2dfa n PRO 110 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2dfa s HIS 111 N -1.60 3.08 0.00 6.00 2.46 0.11 -4.57 115.29 120.77 2dfa s HIS 111 Ca 0.78 0.03 0.00 0.00 0.47 0.00 0.00 55.06 56.34 2dfa s HIS 111 Cb -0.37 -1.59 0.00 0.00 -0.13 0.00 0.00 32.58 30.49 2dfa s HIS 111 CO 0.45 0.49 0.00 0.41 -2.47 0.00 0.00 174.74 173.63 2dfa n GLY 112 N 0.69 2.25 0.30 1.59 0.00 -1.26 -1.92 105.19 106.84 2dfa n GLY 112 Ca -0.11 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2dfa n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfa h ALA 113 N 0.00 2.16 -0.45 4.61 0.00 -1.49 -0.96 119.26 123.12 2dfa h ALA 113 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2dfa h ALA 113 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2dfa h ALA 113 CO 0.00 -0.21 -0.04 1.25 0.00 0.00 0.00 179.25 180.26 2dfa h LEU 114 N 0.00 0.81 0.06 0.00 5.85 -1.59 0.17 115.31 120.60 2dfa h LEU 114 Ca 0.08 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2dfa h LEU 114 Cb 0.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2dfa h LEU 114 CO -0.00 0.94 -0.06 0.22 -0.34 0.00 0.00 178.44 179.19 2dfa h TYR 115 N 0.65 -0.17 -0.80 1.25 3.20 -1.00 -0.19 116.97 119.92 2dfa h TYR 115 Ca 0.12 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2dfa h TYR 115 Cb 0.55 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 2dfa h TYR 115 CO 0.04 -0.10 0.42 -0.07 -1.64 0.00 0.00 178.16 176.81 2dfa h LEU 116 N -0.14 1.02 -0.89 2.82 3.38 -1.18 -1.20 115.31 119.11 2dfa h LEU 116 Ca 0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2dfa h LEU 116 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2dfa h LEU 116 CO -0.02 0.84 0.30 0.50 0.09 0.00 0.00 178.44 180.14 2dfa h LYS 117 N 1.12 1.11 -0.73 1.13 3.64 -0.38 -2.48 116.57 119.98 2dfa h LYS 117 Ca 0.28 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2dfa h LYS 117 Cb 0.07 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2dfa h LYS 117 CO -0.04 0.90 0.24 0.00 -2.27 0.00 0.00 179.45 178.27 2dfa h ALA 118 N 1.24 1.04 0.00 5.00 0.00 -0.44 0.22 119.26 126.32 2dfa h ALA 118 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dfa h ALA 118 Cb 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2dfa h ALA 118 CO -0.02 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.88 2dfa n ARG 120 N -2.93 2.13 -3.98 0.00 1.85 -1.06 -3.79 116.66 108.89 2dfa n ARG 120 Ca -0.01 -0.20 -0.31 0.00 -1.00 0.00 0.00 57.85 56.33 2dfa n ARG 120 Cb 0.19 -0.65 -0.15 0.00 -1.05 0.00 0.00 32.46 30.79 2dfa n ARG 120 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2dfa s ASP 121 N -0.36 4.13 0.26 2.89 2.15 0.75 -5.02 116.67 121.46 2dfa s ASP 121 Ca 0.00 -1.36 -0.03 0.00 0.43 0.00 0.00 52.55 51.59 2dfa s ASP 121 Cb 0.00 -1.32 0.42 0.00 -0.30 0.00 0.00 42.92 41.72 2dfa s ASP 121 CO 0.00 -0.25 1.85 0.03 -0.17 0.00 0.00 175.17 176.63 2dfa h ARG 122 N 7.87 0.97 -0.59 4.34 3.08 -1.85 -0.90 114.38 127.29 2dfa h ARG 122 Ca -0.17 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 2dfa h ARG 122 Cb 1.05 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 2dfa h ARG 122 CO 0.44 0.64 0.05 0.93 -1.07 0.00 0.00 179.97 180.97 2dfa h GLU 123 N 1.00 0.99 -0.19 0.04 4.39 -1.95 0.56 114.58 119.42 2dfa h GLU 123 Ca 0.43 -0.27 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 2dfa h GLU 123 Cb 0.29 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2dfa h GLU 123 CO -0.21 0.94 -0.11 1.15 -1.16 0.00 0.00 179.01 179.62 2dfa h THR 124 N 0.92 1.32 -0.52 1.13 2.02 -1.78 -1.47 112.91 114.53 2dfa h THR 124 Ca 0.18 -1.19 0.04 0.00 0.77 0.00 0.00 66.41 66.21 2dfa h THR 124 Cb 0.46 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 2dfa h THR 124 CO 0.02 0.36 0.28 0.00 0.37 0.00 0.00 175.52 176.54 2dfa h ALA 125 N 0.68 0.66 -0.62 6.16 0.00 -1.01 -1.72 119.26 123.41 2dfa h ALA 125 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dfa h ALA 125 Cb 0.61 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2dfa h ALA 125 CO 0.03 -0.05 0.28 -0.09 0.00 0.00 0.00 179.25 179.42 2dfa h ARG 126 N 0.54 0.90 -0.80 0.00 2.43 -0.83 -1.72 114.38 114.90 2dfa h ARG 126 Ca 0.22 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2dfa h ARG 126 Cb 0.10 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2dfa h ARG 126 CO -0.14 0.73 0.51 0.00 -1.51 0.00 0.00 179.97 179.57 2dfa h ALA 127 N 1.12 1.01 -0.13 2.80 0.00 -0.79 0.36 119.26 123.63 2dfa h ALA 127 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dfa h ALA 127 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2dfa h ALA 127 CO -0.02 0.44 0.03 0.82 0.00 0.00 0.00 179.25 180.52 2dfa h ILE 128 N 1.08 1.19 -0.46 0.00 2.04 -1.13 -1.76 117.51 118.48 2dfa h ILE 128 Ca 0.29 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2dfa h ILE 128 Cb -0.10 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2dfa h ILE 128 CO -0.06 0.18 0.22 0.00 0.00 0.00 0.00 178.15 178.48 2dfa h ALA 129 N 0.83 0.57 -0.34 1.87 0.00 -0.96 -1.46 119.26 119.78 2dfa h ALA 129 Ca 0.04 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2dfa h ALA 129 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2dfa h ALA 129 CO 0.00 -0.15 -0.17 -0.07 0.00 0.00 0.00 179.25 178.87 2dfa h LEU 130 N 0.43 0.62 -0.14 0.00 3.38 -0.85 -0.29 115.31 118.46 2dfa h LEU 130 Ca 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2dfa h LEU 130 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2dfa h LEU 130 CO -0.16 0.80 0.06 0.00 0.09 0.00 0.00 178.44 179.24 2dfa h ALA 131 N 1.25 0.18 -0.52 1.53 0.00 -0.88 0.18 119.26 121.00 2dfa h ALA 131 Ca 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2dfa h ALA 131 Cb 0.61 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2dfa h ALA 131 CO 0.04 -0.25 0.30 0.28 0.00 0.00 0.00 179.25 179.62 2dfa h VAL 132 N 0.09 1.17 -0.71 0.00 2.07 -1.11 -2.19 116.25 115.56 2dfa h VAL 132 Ca 0.05 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2dfa h VAL 132 Cb 0.13 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2dfa h VAL 132 CO -0.01 0.17 0.21 0.50 0.02 0.00 0.00 177.57 178.47 2dfa h LYS 133 N 0.70 1.11 -0.11 1.57 3.64 -0.81 -1.50 116.57 121.17 2dfa h LYS 133 Ca 0.19 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 2dfa h LYS 133 Cb 0.01 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2dfa h LYS 133 CO -0.03 0.96 -0.17 0.00 -2.27 0.00 0.00 179.45 177.94 2dfa h ALA 134 N 1.10 1.52 0.06 5.00 0.00 -0.41 -2.58 119.26 123.95 2dfa h ALA 134 Ca 0.23 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2dfa h ALA 134 Cb 0.32 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2dfa h ALA 134 CO -0.00 0.35 -0.51 0.35 0.00 0.00 0.00 179.25 179.43 2dfa h PHE 135 N 0.16 0.40 -0.89 0.00 3.57 -1.06 -3.45 116.94 115.67 2dfa h PHE 135 Ca 0.03 -0.26 0.07 0.00 3.53 0.00 0.00 57.97 61.34 2dfa h PHE 135 Cb 0.40 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 38.91 2dfa h PHE 135 CO 0.00 1.15 -0.30 0.34 -2.23 0.00 0.00 178.31 177.27 2dfa s ASP 136 N -6.66 -1.42 0.61 0.41 -1.08 -0.60 -5.03 116.67 102.91 2dfa s ASP 136 Ca -0.15 0.29 0.28 0.00 -0.52 0.00 0.00 52.55 52.44 2dfa s ASP 136 Cb 0.01 1.95 1.37 0.00 -1.46 0.00 0.00 42.92 44.78 2dfa s ASP 136 CO 0.79 -0.26 1.78 -0.65 0.52 0.00 0.00 175.17 177.34 2dfa h PRO 137 N 7.91 0.00 -0.00 4.34 0.11 -1.65 -0.37 132.00 142.34 2dfa h PRO 137 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2dfa h PRO 137 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2dfa h PRO 137 CO 0.13 0.00 -0.22 0.41 -0.21 0.00 0.00 178.00 178.11 2dfa n GLY 138 N -1.49 -0.91 3.69 -0.55 0.00 -1.26 -4.66 105.19 100.00 2dfa n GLY 138 Ca 0.09 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2dfa n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dfa s LEU 139 N -2.61 4.32 0.35 0.99 1.43 -0.15 -4.89 118.68 118.12 2dfa s LEU 139 Ca 0.23 2.15 -0.25 0.00 -1.03 0.00 0.00 54.13 55.24 2dfa s LEU 139 Cb 0.19 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.76 2dfa s LEU 139 CO 0.53 -0.75 0.98 -2.16 0.23 0.00 0.00 176.35 175.18 2dfa s PRO 140 N 2.53 4.44 -0.16 1.29 0.04 -1.26 -4.40 135.00 137.47 2dfa s PRO 140 Ca 0.65 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2dfa s PRO 140 Cb -0.32 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 2dfa s PRO 140 CO 0.27 0.13 -0.08 -1.17 0.04 0.00 0.00 177.00 176.19 2dfa s LEU 141 N -2.30 2.92 -0.08 -3.56 2.96 -0.56 -2.22 118.68 115.85 2dfa s LEU 141 Ca 0.53 -0.29 -0.27 0.00 -0.22 0.00 0.00 54.13 53.89 2dfa s LEU 141 Cb -0.19 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2dfa s LEU 141 CO 0.24 0.11 0.87 -0.69 -1.32 0.00 0.00 176.35 175.57 2dfa s VAL 142 N 0.67 4.91 0.22 1.68 1.01 -0.46 -0.91 120.40 127.52 2dfa s VAL 142 Ca -0.04 1.77 0.01 0.00 0.00 0.00 0.00 61.98 63.72 2dfa s VAL 142 Cb -0.15 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2dfa s VAL 142 CO 0.02 0.12 0.08 0.68 0.00 0.00 0.00 175.10 176.01 2dfa s VAL 143 N 1.44 0.41 -0.23 2.92 -7.23 -0.18 -4.70 120.40 112.82 2dfa s VAL 143 Ca 0.44 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 2dfa s VAL 143 Cb -0.18 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2dfa s VAL 143 CO 0.19 -0.13 0.48 -0.76 -0.31 0.00 0.00 175.10 174.57 2dfa s LEU 144 N -3.23 4.10 0.48 1.32 1.43 -1.26 -1.83 118.68 119.70 2dfa s LEU 144 Ca 0.34 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 2dfa s LEU 144 Cb 0.07 -2.63 -0.07 0.00 0.03 0.00 0.00 46.19 43.59 2dfa s LEU 144 CO 0.10 -0.21 1.38 -2.16 0.23 0.00 0.00 176.35 175.70 2dfa s PRO 145 N 1.89 3.50 -0.06 1.29 0.04 -1.26 -3.19 135.00 137.20 2dfa s PRO 145 Ca 0.21 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2dfa s PRO 145 Cb -0.15 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2dfa s PRO 145 CO 0.09 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.61 2dfa n GLY 146 N 0.64 0.47 3.74 0.56 0.00 -1.26 -4.96 105.19 104.38 2dfa n GLY 146 Ca 0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 2dfa n GLY 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfa s THR 147 N -1.99 3.12 0.18 2.61 -4.23 -1.19 -4.99 115.64 109.15 2dfa s THR 147 Ca 0.00 -1.68 0.35 0.00 -1.18 0.00 0.00 61.69 59.18 2dfa s THR 147 Cb 0.00 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.23 2dfa s THR 147 CO 0.00 -0.20 2.05 -0.37 -0.54 0.00 0.00 174.62 175.56 2dfa h VAL 148 N 1.55 0.00 -0.20 2.29 -1.51 -1.85 -1.78 116.25 114.74 2dfa h VAL 148 Ca -0.44 -0.29 -0.06 0.00 -1.23 0.00 0.00 66.70 64.68 2dfa h VAL 148 Cb 1.25 1.22 -0.00 0.00 -2.13 0.00 0.00 31.29 31.63 2dfa h VAL 148 CO 0.63 0.00 -0.12 0.22 -1.23 0.00 0.00 177.57 177.06 2dfa h TYR 149 N 0.00 0.51 -0.73 5.19 3.20 -1.76 -0.38 116.97 123.00 2dfa h TYR 149 Ca 0.00 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.69 2dfa h TYR 149 Cb 0.31 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2dfa h TYR 149 CO 0.00 0.75 0.27 1.49 -1.64 0.00 0.00 178.16 179.03 2dfa h GLU 150 N 0.13 1.11 0.17 1.82 4.81 -1.53 -2.23 114.58 118.86 2dfa h GLU 150 Ca 0.04 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2dfa h GLU 150 Cb 0.63 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2dfa h GLU 150 CO 0.03 0.92 -0.13 0.93 -0.73 0.00 0.00 179.01 180.03 2dfa h GLU 151 N 1.06 -0.30 -0.38 1.92 5.08 -1.23 -1.68 114.58 119.05 2dfa h GLU 151 Ca 0.24 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2dfa h GLU 151 Cb 0.24 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2dfa h GLU 151 CO -0.02 -0.20 -0.03 0.93 -1.00 0.00 0.00 179.01 178.69 2dfa h GLU 152 N -0.31 0.62 -0.66 2.33 4.39 -1.01 0.21 114.58 120.15 2dfa h GLU 152 Ca -0.01 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2dfa h GLU 152 Cb 0.28 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2dfa h GLU 152 CO -0.01 0.66 0.34 0.00 -1.16 0.00 0.00 179.01 178.84 2dfa h ALA 153 N 1.39 0.84 -0.33 3.43 0.00 -1.20 -0.03 119.26 123.36 2dfa h ALA 153 Ca 0.12 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2dfa h ALA 153 Cb 0.42 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dfa h ALA 153 CO 0.02 0.38 -0.38 0.00 0.00 0.00 0.00 179.25 179.27 2dfa h ARG 154 N 0.90 0.84 -0.01 0.00 3.08 -0.84 -2.47 114.38 115.88 2dfa h ARG 154 Ca 0.23 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2dfa h ARG 154 Cb 0.08 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2dfa h ARG 154 CO -0.03 1.10 -0.11 0.87 -1.07 0.00 0.00 179.97 180.73 2dfa h LYS 155 N 0.63 0.02 0.00 0.04 1.57 -0.66 -0.63 116.57 117.54 2dfa h LYS 155 Ca 0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2dfa h LYS 155 Cb 0.97 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2dfa h LYS 155 CO 0.09 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 2dfa n ALA 156 N -2.52 1.97 -0.50 3.86 0.00 -0.05 -4.89 120.51 118.38 2dfa n ALA 156 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2dfa n ALA 156 Cb 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2dfa n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfa n GLY 157 N 0.67 0.72 3.88 0.00 0.00 -0.24 -5.03 105.19 105.18 2dfa n GLY 157 Ca 0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2dfa n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dfa s LEU 158 N 0.00 3.96 0.13 0.99 1.43 -0.95 -5.04 118.68 119.20 2dfa s LEU 158 Ca 0.00 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.85 2dfa s LEU 158 Cb 0.00 -3.89 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 2dfa s LEU 158 CO 0.00 -0.28 1.08 -0.60 0.23 0.00 0.00 176.35 176.78 2dfa s ARG 159 N -3.50 4.58 0.01 1.70 3.52 -1.26 -4.52 118.95 119.47 2dfa s ARG 159 Ca 0.50 1.66 0.04 0.00 -0.13 0.00 0.00 55.73 57.80 2dfa s ARG 159 Cb -0.10 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 2dfa s ARG 159 CO 0.27 0.04 -0.11 0.08 -0.81 0.00 0.00 175.30 174.77 2dfa s VAL 160 N 0.10 3.31 -0.17 7.11 1.01 -1.26 -1.49 120.40 129.01 2dfa s VAL 160 Ca 0.51 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2dfa s VAL 160 Cb -0.28 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2dfa s VAL 160 CO 0.33 0.41 -0.18 -0.69 0.00 0.00 0.00 175.10 174.96 2dfa s VAL 161 N -0.93 2.28 -0.14 2.92 1.01 -0.09 -4.90 120.40 120.55 2dfa s VAL 161 Ca 0.15 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 2dfa s VAL 161 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2dfa s VAL 161 CO 0.06 0.53 0.87 -0.76 0.00 0.00 0.00 175.10 175.79 2dfa s LEU 162 N 1.09 4.21 -0.07 3.92 1.43 -1.26 -1.01 118.68 126.99 2dfa s LEU 162 Ca -0.00 1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 54.34 2dfa s LEU 162 Cb -0.14 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2dfa s LEU 162 CO -0.07 -0.38 0.10 -0.70 0.23 0.00 0.00 176.35 175.53 2dfa s GLU 163 N 1.96 3.24 0.13 1.70 2.12 -0.76 -0.77 118.70 126.32 2dfa s GLU 163 Ca 0.41 -0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.50 2dfa s GLU 163 Cb -0.17 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2dfa s GLU 163 CO 0.15 0.71 -0.16 0.00 -0.54 0.00 0.00 175.26 175.42 2dfa s ALA 164 N -1.08 1.64 -0.39 6.30 0.00 -0.39 -4.48 121.76 123.36 2dfa s ALA 164 Ca 0.18 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.85 2dfa s ALA 164 Cb -0.12 -0.12 0.11 0.00 0.00 0.00 0.00 23.12 23.00 2dfa s ALA 164 CO 0.08 0.16 0.12 -0.06 0.00 0.00 0.00 175.76 176.06 2dfa s PHE 165 N -2.02 3.23 0.29 0.00 0.40 -1.26 -1.25 117.98 117.37 2dfa s PHE 165 Ca 0.10 -2.85 0.36 0.00 -0.60 0.00 0.00 56.93 53.94 2dfa s PHE 165 Cb -0.06 -2.67 1.87 0.00 0.51 0.00 0.00 43.02 42.67 2dfa s PHE 165 CO 0.04 -0.88 2.09 -1.00 0.70 0.00 0.00 175.22 176.17 2dfa h PRO 166 N 7.32 0.00 -0.01 0.24 0.13 -1.89 -1.96 132.00 135.83 2dfa h PRO 166 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2dfa h PRO 166 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2dfa h PRO 166 CO 0.55 0.00 -0.24 0.39 -0.23 0.00 0.00 178.00 178.48 2dfa n GLU 167 N -2.80 1.29 -4.86 0.86 1.02 -1.26 -4.55 120.64 110.34 2dfa n GLU 167 Ca -0.02 -0.91 -0.32 0.00 -0.02 0.00 0.00 57.16 55.90 2dfa n GLU 167 Cb 0.10 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 2dfa n GLU 167 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2dfa s ARG 168 N -2.34 2.27 0.43 3.49 1.81 -0.74 0.43 118.95 124.31 2dfa s ARG 168 Ca 0.26 -0.85 -0.22 0.00 -1.72 0.00 0.00 55.73 53.20 2dfa s ARG 168 Cb 0.19 -2.25 -0.10 0.00 -0.45 0.00 0.00 34.95 32.35 2dfa s ARG 168 CO 0.47 0.58 0.99 0.00 -0.68 0.00 0.00 175.30 176.66 2dfa s ALA 169 N -0.79 3.02 0.21 2.13 0.00 0.98 -4.87 121.76 122.43 2dfa s ALA 169 Ca 0.13 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2dfa s ALA 169 Cb -0.10 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2dfa s ALA 169 CO 0.02 -0.05 -0.02 0.71 0.00 0.00 0.00 175.76 176.42 2dfa s TYR 170 N -1.97 2.74 0.28 0.00 1.51 -1.26 -0.75 117.35 117.90 2dfa s TYR 170 Ca 0.61 -0.19 0.08 0.00 -1.01 0.00 0.00 57.07 56.57 2dfa s TYR 170 Cb -0.14 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 2dfa s TYR 170 CO 0.18 0.55 0.12 -0.51 -1.11 0.00 0.00 175.55 174.79 2dfa s LEU 171 N -3.18 3.49 0.54 -1.29 1.43 -0.54 0.28 118.68 119.41 2dfa s LEU 171 Ca 0.28 -0.49 0.27 0.00 -1.03 0.00 0.00 54.13 53.16 2dfa s LEU 171 Cb -0.08 -2.02 1.44 0.00 0.03 0.00 0.00 46.19 45.56 2dfa s LEU 171 CO 0.18 -0.08 1.97 0.03 0.23 0.00 0.00 176.35 178.68 2dfa h ARG 172 N 1.63 0.00 0.00 1.70 3.08 -1.88 0.18 114.38 119.09 2dfa h ARG 172 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 2dfa h ARG 172 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2dfa h ARG 172 CO 0.61 0.00 -0.00 0.66 -1.07 0.00 0.00 179.97 180.16 2dfa h SER 173 N 0.00 0.00 0.00 7.04 4.64 -1.98 -3.46 113.55 119.80 2dfa h SER 173 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2dfa h SER 173 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2dfa h SER 173 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2dfa n GLY 174 N -1.10 0.38 3.93 -0.77 0.00 0.64 -5.07 105.19 103.21 2dfa n GLY 174 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 2dfa n GLY 174 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dfa s GLN 175 N -0.97 2.88 0.39 1.61 2.00 -1.26 -4.87 119.66 119.44 2dfa s GLN 175 Ca 0.00 -1.20 -0.26 0.00 -2.00 0.00 0.00 55.36 51.90 2dfa s GLN 175 Cb 0.00 -2.64 -0.09 0.00 0.80 0.00 0.00 33.01 31.08 2dfa s GLN 175 CO 0.00 0.00 1.19 -0.51 -0.50 0.00 0.00 175.29 175.48 2dfa s LEU 176 N -4.13 4.23 0.30 3.68 1.43 -1.26 -1.47 118.68 121.47 2dfa s LEU 176 Ca 0.45 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.67 2dfa s LEU 176 Cb -0.08 -3.96 -0.10 0.00 0.03 0.00 0.00 46.19 42.09 2dfa s LEU 176 CO 0.29 -0.66 1.19 0.00 0.23 0.00 0.00 176.35 177.40 2dfa s ALA 177 N -1.36 3.45 0.16 4.21 0.00 0.07 -4.77 121.76 123.52 2dfa s ALA 177 Ca 0.56 1.05 -0.32 0.00 0.00 0.00 0.00 51.96 53.24 2dfa s ALA 177 Cb -0.32 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.24 2dfa s ALA 177 CO 0.41 -0.36 0.92 -2.30 0.00 0.00 0.00 175.76 174.43 2dfa n PRO 178 N 1.04 0.57 -0.19 0.00 -0.02 -1.26 -4.86 135.00 130.28 2dfa n PRO 178 Ca -0.01 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 2dfa n PRO 178 Cb 0.43 -1.52 0.01 0.00 -0.02 0.00 0.00 33.50 32.40 2dfa n PRO 178 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dfa h ARG 179 N 2.36 -0.16 -0.79 -0.52 2.47 -1.94 -1.76 114.38 114.03 2dfa h ARG 179 Ca -0.39 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.28 2dfa h ARG 179 Cb 1.39 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.72 2dfa h ARG 179 CO 0.64 -0.10 0.07 0.43 0.56 0.00 0.00 179.97 181.56 2dfa n SER 180 N -5.43 3.81 -4.75 7.04 7.64 -1.26 -4.62 113.62 116.05 2dfa n SER 180 Ca 0.04 -2.63 -0.39 0.00 1.01 0.00 0.00 58.87 56.89 2dfa n SER 180 Cb 0.35 -0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 2dfa n SER 180 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2dfa s MET 181 N -2.06 4.43 -0.33 1.43 0.00 -0.66 -4.95 119.30 117.17 2dfa s MET 181 Ca 0.33 0.94 -0.38 0.00 0.00 0.00 0.00 55.69 56.59 2dfa s MET 181 Cb 0.26 -3.36 -0.14 0.00 0.00 0.00 0.00 34.83 31.59 2dfa s MET 181 CO 0.09 0.30 2.03 -2.30 0.00 0.00 0.00 175.02 175.14 2dfa n PRO 182 N 2.83 1.05 -0.60 4.11 -0.01 -1.26 0.47 135.00 141.58 2dfa n PRO 182 Ca -0.04 0.33 0.00 0.00 -0.01 0.00 0.00 63.50 63.78 2dfa n PRO 182 Cb 0.51 -2.26 0.00 0.00 -0.01 0.00 0.00 33.50 31.74 2dfa n PRO 182 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2dfa n GLY 183 N 5.79 0.65 0.18 -1.23 0.00 -1.26 -4.96 105.19 104.35 2dfa n GLY 183 Ca 0.37 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2dfa n GLY 183 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dfa h SER 184 N 0.00 0.28 -3.27 1.61 0.87 -0.24 -3.42 113.55 109.38 2dfa h SER 184 Ca 0.00 -0.15 -0.66 0.00 -1.23 0.00 0.00 61.79 59.75 2dfa h SER 184 Cb 0.00 -0.08 -0.30 0.00 -0.44 0.00 0.00 62.40 61.58 2dfa h SER 184 CO 0.00 0.78 -0.79 -1.66 -0.53 0.00 0.00 176.83 174.63 2dfa s TRP 185 N -3.86 2.82 -0.29 2.24 -2.14 -1.26 -0.02 118.94 116.44 2dfa s TRP 185 Ca -0.04 -1.08 -0.29 0.00 2.66 0.00 0.00 56.10 57.35 2dfa s TRP 185 Cb 0.12 -1.94 0.00 0.00 -3.10 0.00 0.00 33.47 28.56 2dfa s TRP 185 CO 0.79 -0.52 1.26 0.42 -2.66 0.00 0.00 176.95 176.24 2dfa s ILE 186 N 1.00 4.21 -0.11 0.66 -1.09 0.17 -4.90 121.20 121.14 2dfa s ILE 186 Ca -0.02 1.38 0.07 0.00 -2.23 0.00 0.00 60.65 59.86 2dfa s ILE 186 Cb -0.15 -4.18 -0.24 0.00 -1.58 0.00 0.00 42.46 36.31 2dfa s ILE 186 CO -0.02 -0.45 0.42 0.35 -1.23 0.00 0.00 174.94 174.01 2dfa n THR 187 N 6.08 1.61 -2.24 2.92 -2.24 -1.26 -4.80 114.28 114.36 2dfa n THR 187 Ca 0.14 -0.75 -0.43 0.00 -2.27 0.00 0.00 64.05 60.74 2dfa n THR 187 Cb 0.46 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.51 2dfa n THR 187 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dfa s ASP 188 N -6.29 6.34 0.47 3.42 2.15 -1.26 -4.86 116.67 116.64 2dfa s ASP 188 Ca -0.13 1.19 0.22 0.00 0.43 0.00 0.00 52.55 54.26 2dfa s ASP 188 Cb 0.07 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 41.39 2dfa s ASP 188 CO 0.79 -1.37 1.92 -0.65 -0.17 0.00 0.00 175.17 175.70 2dfa h PRO 189 N 10.81 0.22 -0.16 4.34 0.11 -1.91 -0.17 132.00 145.23 2dfa h PRO 189 Ca -0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 2dfa h PRO 189 Cb 1.13 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2dfa h PRO 189 CO 1.04 0.15 0.08 0.93 -0.21 0.00 0.00 178.00 179.99 2dfa h GLU 190 N 0.23 0.23 -0.48 1.05 4.39 -1.94 0.19 114.58 118.24 2dfa h GLU 190 Ca 0.37 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.94 2dfa h GLU 190 Cb 1.11 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2dfa h GLU 190 CO -0.08 0.26 -0.06 1.49 -1.16 0.00 0.00 179.01 179.47 2dfa h GLU 191 N 0.13 0.89 -0.61 2.33 4.81 -1.66 0.19 114.58 120.67 2dfa h GLU 191 Ca 0.05 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.01 2dfa h GLU 191 Cb 0.11 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2dfa h GLU 191 CO -0.01 0.95 0.36 0.00 -0.73 0.00 0.00 179.01 179.59 2dfa h ALA 192 N 0.90 0.79 -0.70 2.92 0.00 -0.96 0.58 119.26 122.80 2dfa h ALA 192 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2dfa h ALA 192 Cb 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2dfa h ALA 192 CO 0.04 0.08 0.35 0.00 0.00 0.00 0.00 179.25 179.72 2dfa h ALA 193 N 1.28 0.90 -0.17 0.00 0.00 -0.50 0.24 119.26 121.01 2dfa h ALA 193 Ca 0.25 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2dfa h ALA 193 Cb 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2dfa h ALA 193 CO -0.12 0.45 -0.10 -0.09 0.00 0.00 0.00 179.25 179.39 2dfa h ARG 194 N 0.97 -0.09 -0.68 0.00 2.43 0.05 -0.99 114.38 116.08 2dfa h ARG 194 Ca 0.24 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2dfa h ARG 194 Cb 0.09 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2dfa h ARG 194 CO -0.03 -0.06 0.36 0.00 -1.51 0.00 0.00 179.97 178.73 2dfa h ARG 195 N -0.09 0.95 -0.06 0.20 3.08 0.39 -2.30 114.38 116.54 2dfa h ARG 195 Ca 0.10 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2dfa h ARG 195 Cb 0.24 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2dfa h ARG 195 CO -0.23 0.73 -0.15 0.00 -1.07 0.00 0.00 179.97 179.25 2dfa h ALA 196 N 1.17 -0.13 -0.46 0.04 0.00 -0.16 0.25 119.26 119.98 2dfa h ALA 196 Ca 0.24 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.26 2dfa h ALA 196 Cb 0.06 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 2dfa h ALA 196 CO -0.04 -0.62 -0.02 -0.07 0.00 0.00 0.00 179.25 178.50 2dfa h LEU 197 N -0.22 -0.24 -0.32 0.00 3.38 -1.07 -1.55 115.31 115.28 2dfa h LEU 197 Ca 0.07 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2dfa h LEU 197 Cb 0.31 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2dfa h LEU 197 CO -0.19 -0.08 0.02 -0.09 0.09 0.00 0.00 178.44 178.19 2dfa h ARG 198 N 0.09 0.12 -0.88 1.13 9.65 -0.83 0.53 114.38 124.18 2dfa h ARG 198 Ca 0.23 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.15 2dfa h ARG 198 Cb 0.34 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.83 2dfa h ARG 198 CO -0.40 0.08 0.56 0.52 2.80 0.00 0.00 179.97 183.53 2dfa h MET 199 N 0.12 1.02 0.29 0.20 2.86 -0.44 0.32 114.93 119.31 2dfa h MET 199 Ca 0.16 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2dfa h MET 199 Cb 0.20 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2dfa h MET 199 CO -0.24 0.67 -0.14 0.28 1.06 0.00 0.00 176.91 178.54 2dfa h VAL 200 N 1.05 0.26 -0.24 -2.22 2.07 -0.65 -1.66 116.25 114.86 2dfa h VAL 200 Ca 0.37 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 2dfa h VAL 200 Cb 0.11 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2dfa h VAL 200 CO -0.15 0.07 -0.26 -0.07 0.02 0.00 0.00 177.57 177.17 2dfa h LEU 201 N -1.05 0.46 0.00 2.57 3.38 0.06 -3.34 115.31 117.39 2dfa h LEU 201 Ca -0.04 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2dfa h LEU 201 Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dfa h LEU 201 CO 0.07 0.72 -0.57 -0.62 0.09 0.00 0.00 178.44 178.12 2dfa n GLU 202 N -4.12 3.44 -2.02 1.13 1.02 0.11 -5.01 120.64 115.19 2dfa n GLU 202 Ca -0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 2dfa n GLU 202 Cb 0.41 -0.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.99 2dfa n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dfa n GLY 203 N 1.63 0.21 3.11 0.62 0.00 -0.63 -4.97 105.19 105.16 2dfa n GLY 203 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 2dfa n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dfa s LYS 204 N -4.24 0.60 0.01 1.61 1.02 -1.23 -0.71 119.74 116.80 2dfa s LYS 204 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 2dfa s LYS 204 Cb 0.00 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 2dfa s LYS 204 CO 0.00 -0.14 -0.01 0.54 -0.92 0.00 0.00 175.35 174.82 2dfa s VAL 205 N -2.90 0.04 0.39 3.17 0.11 -0.31 -3.24 120.40 117.66 2dfa s VAL 205 Ca -0.02 -0.30 -0.25 0.00 -2.93 0.00 0.00 61.98 58.47 2dfa s VAL 205 Cb 0.01 -0.10 -0.12 0.00 -1.53 0.00 0.00 36.38 34.64 2dfa s VAL 205 CO -0.06 -0.16 1.01 1.21 -3.33 0.00 0.00 175.10 173.76 2dfa n GLU 206 N 2.59 1.37 -4.07 1.54 2.13 -1.26 -0.99 120.64 121.96 2dfa n GLU 206 Ca -0.16 0.49 -0.36 0.00 0.66 0.00 0.00 57.16 57.79 2dfa n GLU 206 Cb 0.58 -1.99 -0.08 0.00 0.27 0.00 0.00 31.44 30.23 2dfa n GLU 206 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dfa s ALA 207 N -1.22 3.63 0.30 4.31 0.00 0.87 -4.35 121.76 125.29 2dfa s ALA 207 Ca 0.62 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 2dfa s ALA 207 Cb -0.59 -1.79 0.46 0.00 0.00 0.00 0.00 23.12 21.19 2dfa s ALA 207 CO 0.58 0.57 1.93 1.25 0.00 0.00 0.00 175.76 180.09 2dfa h LEU 208 N 5.19 0.86 -3.58 0.00 5.85 -0.47 -2.66 115.31 120.49 2dfa h LEU 208 Ca -0.52 -0.06 -0.42 0.00 0.84 0.00 0.00 57.88 57.71 2dfa h LEU 208 Cb 1.21 -0.22 -0.24 0.00 0.37 0.00 0.00 40.66 41.78 2dfa h LEU 208 CO 0.58 0.69 0.54 -0.90 -0.34 0.00 0.00 178.44 179.01 2dfa n ASP 209 N -4.37 4.19 0.00 1.25 5.75 -1.26 -4.97 116.55 117.14 2dfa n ASP 209 Ca 0.07 -3.28 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 2dfa n ASP 209 Cb 0.09 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 2dfa n ASP 209 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dfa n GLY 210 N -0.71 2.76 7.00 6.12 0.00 -1.00 -4.86 105.19 114.50 2dfa n GLY 210 Ca 0.47 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2dfa n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfa n GLY 211 N 1.31 1.87 3.35 -0.02 0.00 -1.26 -4.45 105.19 105.99 2dfa n GLY 211 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 2dfa n GLY 211 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dfa s GLU 212 N 0.00 1.25 0.08 1.61 -1.05 -1.26 -0.09 118.70 119.24 2dfa s GLU 212 Ca 0.00 -1.36 0.03 0.00 -0.15 0.00 0.00 54.97 53.49 2dfa s GLU 212 Cb 0.00 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 2dfa s GLU 212 CO 0.00 -0.46 -0.08 0.14 0.95 0.00 0.00 175.26 175.81 2dfa s VAL 213 N -4.05 0.75 0.31 1.83 -7.23 -0.16 -4.78 120.40 107.08 2dfa s VAL 213 Ca 0.26 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 58.61 2dfa s VAL 213 Cb 0.04 -1.22 -0.10 0.00 0.56 0.00 0.00 36.38 35.67 2dfa s VAL 213 CO 0.06 -0.59 0.98 0.00 -0.31 0.00 0.00 175.10 175.24 2dfa s ALA 214 N -2.43 3.24 -0.19 1.32 0.00 -1.26 -1.16 121.76 121.28 2dfa s ALA 214 Ca 0.02 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 2dfa s ALA 214 Cb -0.03 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.94 2dfa s ALA 214 CO -0.01 0.09 0.47 0.14 0.00 0.00 0.00 175.76 176.44 2dfa s VAL 215 N -1.47 -0.08 -0.32 0.00 -7.23 0.12 -4.89 120.40 106.52 2dfa s VAL 215 Ca 0.48 0.08 -0.08 0.00 -1.81 0.00 0.00 61.98 60.65 2dfa s VAL 215 Cb -0.22 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.04 2dfa s VAL 215 CO 0.28 0.03 0.13 -0.60 -0.31 0.00 0.00 175.10 174.63 2dfa s ARG 216 N 1.55 3.00 -0.57 4.82 3.00 -1.26 -4.08 118.95 125.41 2dfa s ARG 216 Ca -0.09 -0.93 -0.13 0.00 -1.00 0.00 0.00 55.73 53.58 2dfa s ARG 216 Cb -0.08 -3.51 0.14 0.00 0.00 0.00 0.00 34.95 31.51 2dfa s ARG 216 CO -0.14 -0.53 0.50 0.00 0.00 0.00 0.00 175.30 175.12 2dfa s ALA 217 N 1.52 3.65 0.17 6.12 0.00 -1.26 -4.59 121.76 127.36 2dfa s ALA 217 Ca 0.02 -2.72 0.03 0.00 0.00 0.00 0.00 51.96 49.29 2dfa s ALA 217 Cb -0.18 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2dfa s ALA 217 CO 0.04 -2.04 1.39 -0.44 0.00 0.00 0.00 175.76 174.72 2dfa h ASP 218 N 8.46 0.26 -4.66 0.00 3.32 -1.32 -3.45 116.42 119.03 2dfa h ASP 218 Ca -0.19 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.50 2dfa h ASP 218 Cb 1.07 -0.08 -0.22 0.00 0.22 0.00 0.00 39.33 40.32 2dfa h ASP 218 CO 0.92 0.99 -0.56 0.28 -1.72 0.00 0.00 179.24 179.15 2dfa s THR 219 N -3.26 0.07 -0.19 0.35 -1.32 -0.85 -2.47 115.64 107.96 2dfa s THR 219 Ca -0.03 -0.55 -0.03 0.00 -1.21 0.00 0.00 61.69 59.87 2dfa s THR 219 Cb 0.10 -0.33 -0.01 0.00 -1.51 0.00 0.00 72.50 70.75 2dfa s THR 219 CO 0.82 -0.30 -0.07 -0.76 -2.21 0.00 0.00 174.62 172.10 2dfa s LEU 220 N -1.01 2.86 0.05 9.08 1.43 0.83 -1.26 118.68 130.65 2dfa s LEU 220 Ca -0.11 -0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 2dfa s LEU 220 Cb -0.06 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 2dfa s LEU 220 CO 0.01 0.05 0.72 0.00 0.23 0.00 0.00 176.35 177.35 2dfa s ILE 222 N -0.27 2.21 0.00 0.00 -1.09 -0.02 -4.34 121.20 117.70 2dfa s ILE 222 Ca 0.36 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 2dfa s ILE 222 Cb -0.20 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 2dfa s ILE 222 CO 0.22 0.57 0.00 1.41 -1.23 0.00 0.00 174.94 175.90 2dfa n HIS 223 N 3.09 0.00 0.00 3.97 8.25 -1.26 -4.28 115.22 124.99 2dfa n HIS 223 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2dfa n HIS 223 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2dfa n HIS 223 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2dfa n PRO 227 N 0.00 0.00 -0.89 -0.41 -0.04 -1.26 -4.63 135.00 127.78 2dfa n PRO 227 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2dfa n PRO 227 Cb 0.00 0.00 0.30 0.00 -0.04 0.00 0.00 33.50 33.76 2dfa n PRO 227 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dfa n ASN 228 N 1.27 4.54 -0.30 3.54 6.94 -1.26 -4.66 115.26 125.32 2dfa n ASN 228 Ca 0.00 -3.21 0.14 0.00 -0.02 0.00 0.00 54.58 51.49 2dfa n ASN 228 Cb 0.00 -0.69 0.32 0.00 -2.36 0.00 0.00 39.78 37.04 2dfa n ASN 228 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dfa h ALA 229 N 2.49 1.41 -0.83 -2.53 0.00 -1.99 0.94 119.26 118.75 2dfa h ALA 229 Ca 0.19 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2dfa h ALA 229 Cb 2.08 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 20.03 2dfa h ALA 229 CO 0.59 -0.43 0.48 -1.35 0.00 0.00 0.00 179.25 178.53 2dfa h PRO 230 N 0.29 0.79 -0.29 0.00 0.11 -1.93 0.20 132.00 131.17 2dfa h PRO 230 Ca 0.58 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.63 2dfa h PRO 230 Cb 1.16 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2dfa h PRO 230 CO -0.60 0.52 0.14 0.93 -0.21 0.00 0.00 178.00 178.78 2dfa h GLU 231 N 0.81 0.42 -0.06 1.05 5.08 -1.20 0.16 114.58 120.84 2dfa h GLU 231 Ca 0.39 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2dfa h GLU 231 Cb 0.34 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2dfa h GLU 231 CO -0.24 0.39 0.03 0.28 -1.00 0.00 0.00 179.01 178.47 2dfa h VAL 232 N 0.34 1.13 -0.81 3.13 2.07 -1.01 0.18 116.25 121.29 2dfa h VAL 232 Ca 0.10 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.27 2dfa h VAL 232 Cb 0.11 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2dfa h VAL 232 CO -0.01 0.11 0.50 0.00 0.02 0.00 0.00 177.57 178.19 2dfa h ALA 233 N 0.87 1.09 0.55 1.67 0.00 -0.50 0.85 119.26 123.79 2dfa h ALA 233 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2dfa h ALA 233 Cb 0.16 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2dfa h ALA 233 CO -0.00 0.27 -0.27 -0.09 0.00 0.00 0.00 179.25 179.16 2dfa h ARG 234 N 0.94 -0.72 -0.65 0.00 2.43 -0.41 -0.89 114.38 115.09 2dfa h ARG 234 Ca 0.34 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.66 2dfa h ARG 234 Cb 0.11 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 2dfa h ARG 234 CO -0.15 -0.46 0.25 0.00 -1.51 0.00 0.00 179.97 178.11 2dfa h ALA 235 N -0.36 0.86 -0.12 2.80 0.00 -0.55 -1.46 119.26 120.42 2dfa h ALA 235 Ca -0.08 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2dfa h ALA 235 Cb 0.59 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2dfa h ALA 235 CO 0.12 -0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.50 2dfa h VAL 236 N 0.44 1.20 -0.61 0.00 2.07 -0.69 -1.80 116.25 116.86 2dfa h VAL 236 Ca 0.33 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2dfa h VAL 236 Cb 0.42 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2dfa h VAL 236 CO -0.32 0.19 0.34 -0.09 0.02 0.00 0.00 177.57 177.71 2dfa h ARG 237 N -0.01 0.85 -0.45 1.57 2.43 -0.86 -2.06 114.38 115.85 2dfa h ARG 237 Ca 0.04 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2dfa h ARG 237 Cb 0.27 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2dfa h ARG 237 CO 0.00 0.64 0.14 0.93 -1.51 0.00 0.00 179.97 180.17 2dfa h GLU 238 N 0.83 0.71 -0.83 0.20 5.08 -1.25 -0.25 114.58 119.07 2dfa h GLU 238 Ca 0.22 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2dfa h GLU 238 Cb 0.03 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2dfa h GLU 238 CO -0.04 0.68 0.55 0.00 -1.00 0.00 0.00 179.01 179.21 2dfa h ALA 239 N 0.99 1.43 -0.19 3.43 0.00 -1.14 0.26 119.26 124.05 2dfa h ALA 239 Ca 0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2dfa h ALA 239 Cb 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dfa h ALA 239 CO -0.00 0.51 -0.38 -0.07 0.00 0.00 0.00 179.25 179.30 2dfa h LEU 240 N 1.10 0.67 -0.26 0.00 3.38 -1.01 -2.62 115.31 116.57 2dfa h LEU 240 Ca 0.31 -0.55 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 2dfa h LEU 240 Cb -0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2dfa h LEU 240 CO -0.08 1.10 -0.67 -0.33 0.09 0.00 0.00 178.44 178.55 2dfa h GLU 241 N 0.27 0.79 0.00 1.13 5.08 -0.70 0.20 114.58 121.35 2dfa h GLU 241 Ca 0.01 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2dfa h GLU 241 Cb 0.99 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2dfa h GLU 241 CO 0.09 1.19 0.00 1.04 -1.00 0.00 0.00 179.01 180.33 2dfa n GLN 242 N -3.96 0.19 0.00 2.33 6.02 0.90 -1.24 117.38 121.62 2dfa n GLN 242 Ca -0.06 0.45 0.12 0.00 -0.01 0.00 0.00 57.00 57.50 2dfa n GLN 242 Cb 0.69 -1.88 0.15 0.00 1.02 0.00 0.00 30.24 30.22 2dfa n GLN 242 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dfa n ALA 243 N -1.77 3.56 -0.75 -1.58 0.00 -0.99 -4.95 120.51 114.02 2dfa n ALA 243 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2dfa n ALA 243 Cb 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2dfa n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfa n GLY 244 N 1.41 0.57 3.73 0.00 0.00 -0.37 -5.05 105.19 105.48 2dfa n GLY 244 Ca 0.09 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 2dfa n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dfa s VAL 245 N -2.00 5.35 -0.15 1.61 1.01 0.66 -4.28 120.40 122.60 2dfa s VAL 245 Ca 0.00 0.41 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 2dfa s VAL 245 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2dfa s VAL 245 CO 0.00 0.41 0.84 -0.70 0.00 0.00 0.00 175.10 175.65 2dfa s GLU 246 N 0.45 4.33 -0.49 2.72 2.12 0.49 -3.95 118.70 124.37 2dfa s GLU 246 Ca 0.13 1.05 -0.19 0.00 0.36 0.00 0.00 54.97 56.32 2dfa s GLU 246 Cb -0.12 -3.56 0.05 0.00 0.26 0.00 0.00 34.13 30.76 2dfa s GLU 246 CO 0.02 -0.28 0.60 0.08 -0.54 0.00 0.00 175.26 175.14 2dfa s VAL 247 N 1.97 4.90 0.01 3.70 1.01 -1.26 -0.61 120.40 130.12 2dfa s VAL 247 Ca 0.40 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 2dfa s VAL 247 Cb -0.17 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.97 2dfa s VAL 247 CO 0.14 -0.73 0.22 0.00 0.00 0.00 0.00 175.10 174.73 2dfa s ARG 248 N 2.59 0.63 0.31 2.72 1.70 -0.45 -4.89 118.95 121.56 2dfa s ARG 248 Ca 0.16 -0.42 -0.29 0.00 -0.47 0.00 0.00 55.73 54.70 2dfa s ARG 248 Cb -0.18 0.27 -0.12 0.00 -0.57 0.00 0.00 34.95 34.34 2dfa s ARG 248 CO 0.13 -0.17 1.40 0.00 -1.08 0.00 0.00 175.30 175.58 2dfa n ALA 249 N 1.08 1.60 1.26 7.88 0.00 -1.26 -3.42 120.51 127.66 2dfa n ALA 249 Ca -0.21 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.71 2dfa n ALA 249 Cb 0.57 -2.32 0.60 0.00 0.00 0.00 0.00 19.45 18.30 2dfa n ALA 249 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47