#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkf s SER 7 N 0.00 6.33 -0.20 4.39 0.01 -1.26 -0.75 113.70 122.22 3fkf s SER 7 Ca 0.00 2.00 -0.25 0.00 1.31 0.00 0.00 55.95 59.01 3fkf s SER 7 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 3fkf s SER 7 CO 0.00 -0.79 0.86 0.00 0.41 0.00 0.00 173.24 173.72 3fkf s ALA 8 N -1.87 3.58 0.70 1.44 0.00 0.13 -4.83 121.76 120.91 3fkf s ALA 8 Ca 0.66 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 3fkf s ALA 8 Cb -0.19 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3fkf s ALA 8 CO 0.23 -0.80 1.05 -2.30 0.00 0.00 0.00 175.76 173.94 3fkf n PRO 9 N 5.64 0.66 -2.33 0.00 -0.02 -1.26 -4.95 135.00 132.74 3fkf n PRO 9 Ca 0.06 0.28 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 3fkf n PRO 9 Cb 0.48 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3fkf n PRO 9 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fkf s TYR 10 N -1.71 3.22 0.05 6.00 5.04 -1.26 -5.00 117.35 123.69 3fkf s TYR 10 Ca 0.76 1.58 -0.01 0.00 -2.44 0.00 0.00 57.07 56.95 3fkf s TYR 10 Cb -0.36 -3.39 -0.04 0.00 0.35 0.00 0.00 41.96 38.52 3fkf s TYR 10 CO 0.48 -1.15 -0.02 -0.59 -1.34 0.00 0.00 175.55 172.93 3fkf s PHE 11 N -1.31 0.49 -0.18 4.97 -0.12 -1.26 -5.02 117.98 115.55 3fkf s PHE 11 Ca 0.52 -1.03 -0.04 0.00 -0.05 0.00 0.00 56.93 56.33 3fkf s PHE 11 Cb -0.32 -0.37 0.08 0.00 -0.63 0.00 0.00 43.02 41.78 3fkf s PHE 11 CO 0.41 -0.38 0.16 0.45 -0.05 0.00 0.00 175.22 175.81 3fkf s SER 12 N -2.87 1.70 0.03 1.98 0.15 -1.26 -4.32 113.70 109.10 3fkf s SER 12 Ca 0.06 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.42 3fkf s SER 12 Cb 0.07 0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 3fkf s SER 12 CO -0.10 -0.33 -0.11 -0.76 1.20 0.00 0.00 173.24 173.15 3fkf s LEU 13 N 2.25 2.16 0.25 3.45 1.43 -0.28 -4.80 118.68 123.13 3fkf s LEU 13 Ca 0.05 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 52.47 3fkf s LEU 13 Cb -0.16 -0.42 -0.09 0.00 0.03 0.00 0.00 46.19 45.56 3fkf s LEU 13 CO -0.10 -0.02 0.91 -2.16 0.23 0.00 0.00 176.35 175.20 3fkf s PRO 14 N -1.02 4.73 0.00 1.29 0.04 -1.26 -0.14 135.00 138.64 3fkf s PRO 14 Ca -0.01 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3fkf s PRO 14 Cb -0.07 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3fkf s PRO 14 CO 0.01 0.47 0.00 0.27 0.04 0.00 0.00 177.00 177.79 3fkf n ASN 15 N 1.26 0.00 0.05 6.66 0.23 0.23 -2.11 115.26 121.59 3fkf n ASN 15 Ca -0.02 -0.90 0.05 0.00 -0.53 0.00 0.00 54.58 53.18 3fkf n ASN 15 Cb 0.48 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.65 3fkf n ASN 15 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fkf h GLU 16 N 0.00 0.42 -0.19 -3.83 5.08 -1.89 -1.33 114.58 112.85 3fkf h GLU 16 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3fkf h GLU 16 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3fkf h GLU 16 CO 0.00 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 179.92 3fkf n LYS 17 N -4.49 1.97 -0.69 2.33 5.02 -1.26 -4.94 118.16 116.10 3fkf n LYS 17 Ca 0.02 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 3fkf n LYS 17 Cb 0.08 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3fkf n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fkf n GLY 18 N 1.25 0.82 3.75 0.72 0.00 -0.50 -5.04 105.19 106.19 3fkf n GLY 18 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3fkf n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fkf s GLU 19 N -0.31 4.79 0.12 1.61 0.41 -1.26 -4.60 118.70 119.46 3fkf s GLU 19 Ca 0.00 1.52 -0.29 0.00 -0.41 0.00 0.00 54.97 55.80 3fkf s GLU 19 Cb 0.00 -3.21 -0.06 0.00 -1.78 0.00 0.00 34.13 29.08 3fkf s GLU 19 CO 0.00 0.44 0.91 0.15 -0.49 0.00 0.00 175.26 176.27 3fkf s LYS 20 N -1.33 4.68 0.09 1.61 -0.14 -1.26 -0.60 119.74 122.79 3fkf s LYS 20 Ca 0.43 1.37 0.07 0.00 -1.36 0.00 0.00 55.97 56.47 3fkf s LYS 20 Cb -0.26 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.50 3fkf s LYS 20 CO 0.33 0.30 -0.17 -0.51 -0.76 0.00 0.00 175.35 174.53 3fkf s LEU 21 N -0.27 2.30 0.10 3.17 1.43 0.80 -4.84 118.68 121.36 3fkf s LEU 21 Ca 0.44 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3fkf s LEU 21 Cb -0.23 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 3fkf s LEU 21 CO 0.29 -0.02 0.05 -0.55 0.23 0.00 0.00 176.35 176.34 3fkf s SER 22 N -1.87 0.34 0.54 2.29 0.15 -1.26 -1.13 113.70 112.76 3fkf s SER 22 Ca 0.02 -1.09 0.27 0.00 0.70 0.00 0.00 55.95 55.85 3fkf s SER 22 Cb -0.10 0.28 1.44 0.00 -1.71 0.00 0.00 66.02 65.93 3fkf s SER 22 CO 0.03 -0.70 1.99 0.03 1.20 0.00 0.00 173.24 175.79 3fkf h ARG 23 N 2.93 0.00 0.00 5.44 3.08 -1.95 -1.96 114.38 121.92 3fkf h ARG 23 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3fkf h ARG 23 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3fkf h ARG 23 CO 0.60 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.37 3fkf n SER 24 N -4.23 0.00 -4.76 7.04 3.41 -1.26 -3.52 113.62 110.30 3fkf n SER 24 Ca 0.09 -0.91 -0.37 0.00 -0.26 0.00 0.00 58.87 57.43 3fkf n SER 24 Cb 0.61 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.59 3fkf n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fkf s ALA 25 N -2.00 2.79 0.26 7.33 0.00 -0.74 -4.63 121.76 124.77 3fkf s ALA 25 Ca 0.39 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 3fkf s ALA 25 Cb 0.18 -3.48 0.55 0.00 0.00 0.00 0.00 23.12 20.36 3fkf s ALA 25 CO 0.30 -1.12 1.65 1.49 0.00 0.00 0.00 175.76 178.08 3fkf h GLU 26 N 1.47 0.17 0.00 0.00 4.22 -1.90 0.68 114.58 119.21 3fkf h GLU 26 Ca -0.50 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.93 3fkf h GLU 26 Cb 1.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3fkf h GLU 26 CO 0.57 0.11 0.00 2.89 -2.18 0.00 0.00 179.01 180.40 3fkf n ARG 27 N -5.27 0.19 -0.02 1.92 1.85 -1.26 -3.64 116.66 110.43 3fkf n ARG 27 Ca 0.17 0.44 -0.01 0.00 -1.00 0.00 0.00 57.85 57.44 3fkf n ARG 27 Cb 0.55 -1.88 -0.05 0.00 -1.05 0.00 0.00 32.46 30.03 3fkf n ARG 27 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3fkf n PHE 28 N -2.25 0.00 -1.69 2.89 3.72 0.04 -4.90 117.46 115.28 3fkf n PHE 28 Ca 0.02 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.97 3fkf n PHE 28 Cb 0.22 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 3fkf n PHE 28 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3fkf n ARG 29 N -2.10 2.24 -1.78 -1.08 0.63 -0.09 -2.31 116.66 112.18 3fkf n ARG 29 Ca -0.08 0.80 -0.11 0.00 -0.92 0.00 0.00 57.85 57.54 3fkf n ARG 29 Cb 0.57 -2.54 -0.03 0.00 0.45 0.00 0.00 32.46 30.91 3fkf n ARG 29 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3fkf n ASN 30 N 2.78 -4.01 -4.39 6.15 5.03 -1.26 -5.01 115.26 114.54 3fkf n ASN 30 Ca 0.13 0.13 -0.26 0.00 0.87 0.00 0.00 54.58 55.46 3fkf n ASN 30 Cb 0.32 -2.88 -0.12 0.00 -1.02 0.00 0.00 39.78 36.08 3fkf n ASN 30 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3fkf s ARG 31 N -3.77 1.43 0.22 3.52 0.52 -0.98 -4.83 118.95 115.07 3fkf s ARG 31 Ca 0.00 -1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 53.44 3fkf s ARG 31 Cb 0.00 -1.72 -0.11 0.00 0.52 0.00 0.00 34.95 33.64 3fkf s ARG 31 CO 0.00 0.37 1.63 0.71 0.02 0.00 0.00 175.30 178.04 3fkf s TYR 32 N -1.65 2.91 -0.19 -0.53 2.02 0.41 -2.87 117.35 117.46 3fkf s TYR 32 Ca 0.18 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.46 3fkf s TYR 32 Cb -0.08 -4.05 0.04 0.00 -0.40 0.00 0.00 41.96 37.47 3fkf s TYR 32 CO 0.08 -3.81 -0.10 -1.17 -1.57 0.00 0.00 175.55 168.98 3fkf s LEU 33 N 0.63 2.12 -0.41 -1.29 2.96 -0.30 -1.48 118.68 120.92 3fkf s LEU 33 Ca 0.70 -0.80 -0.24 0.00 -0.22 0.00 0.00 54.13 53.57 3fkf s LEU 33 Cb -0.47 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.05 3fkf s LEU 33 CO 0.37 -0.14 0.82 -0.22 -1.32 0.00 0.00 176.35 175.86 3fkf s LEU 34 N 1.44 4.13 -0.15 -0.68 2.96 -0.22 -0.17 118.68 125.99 3fkf s LEU 34 Ca -0.00 0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.93 3fkf s LEU 34 Cb -0.16 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 3fkf s LEU 34 CO -0.09 -0.86 0.45 -0.76 -1.32 0.00 0.00 176.35 173.78 3fkf s LEU 35 N 3.32 4.23 -0.22 -0.68 1.43 0.86 -1.32 118.68 126.29 3fkf s LEU 35 Ca 0.33 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 54.11 3fkf s LEU 35 Cb -0.12 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.46 3fkf s LEU 35 CO 0.21 -0.03 -0.06 0.54 0.23 0.00 0.00 176.35 177.23 3fkf s ASN 36 N 0.77 4.18 -0.06 2.29 4.22 0.02 -0.30 114.94 126.06 3fkf s ASN 36 Ca 0.24 -0.48 -0.17 0.00 -2.14 0.00 0.00 52.86 50.31 3fkf s ASN 36 Cb -0.15 -1.70 -0.05 0.00 1.28 0.00 0.00 41.25 40.63 3fkf s ASN 36 CO 0.09 -0.03 0.45 -0.36 -2.04 0.00 0.00 177.10 175.20 3fkf s PHE 37 N 1.44 3.62 0.33 1.54 0.08 0.11 -0.66 117.98 124.44 3fkf s PHE 37 Ca 0.05 0.94 -0.18 0.00 0.12 0.00 0.00 56.93 57.86 3fkf s PHE 37 Cb -0.14 -2.43 0.04 0.00 -0.57 0.00 0.00 43.02 39.91 3fkf s PHE 37 CO -0.04 0.39 0.77 1.67 -0.10 0.00 0.00 175.22 177.90 3fkf s TRP 38 N -0.17 -0.03 0.01 0.36 1.48 -0.57 -1.38 118.94 118.65 3fkf s TRP 38 Ca 0.25 -0.54 -0.22 0.00 -1.06 0.00 0.00 56.10 54.52 3fkf s TRP 38 Cb -0.16 0.78 0.05 0.00 -1.16 0.00 0.00 33.47 32.97 3fkf s TRP 38 CO 0.12 -1.40 0.50 0.00 -4.06 0.00 0.00 176.95 172.11 3fkf s ALA 39 N -3.05 -1.28 0.03 2.67 0.00 -1.26 0.08 121.76 118.95 3fkf s ALA 39 Ca 0.13 0.67 0.29 0.00 0.00 0.00 0.00 51.96 53.06 3fkf s ALA 39 Cb -0.05 0.23 1.08 0.00 0.00 0.00 0.00 23.12 24.38 3fkf s ALA 39 CO 0.09 -0.42 1.88 0.66 0.00 0.00 0.00 175.76 177.97 3fkf h SER 40 N 3.08 0.00 0.34 0.00 4.64 -1.92 -1.95 113.55 117.74 3fkf h SER 40 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3fkf h SER 40 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3fkf h SER 40 CO 0.41 0.07 -0.08 -2.67 -0.87 0.00 0.00 176.83 173.69 3fkf n TRP 41 N -3.17 0.00 -3.09 4.77 4.27 -1.26 -4.23 117.44 114.73 3fkf n TRP 41 Ca 0.01 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.43 3fkf n TRP 41 Cb 0.38 -0.17 -0.03 0.00 -1.36 0.00 0.00 31.31 30.12 3fkf n TRP 41 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3fkf n ASP 43 N 1.08 1.69 0.01 0.00 2.03 -1.22 -4.33 116.55 115.81 3fkf n ASP 43 Ca 0.19 -3.06 0.14 0.00 0.52 0.00 0.00 54.79 52.57 3fkf n ASP 43 Cb 0.59 -0.63 0.56 0.00 -0.72 0.00 0.00 41.12 40.92 3fkf n ASP 43 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3fkf n PRO 44 N 0.80 0.03 -3.86 -0.67 -0.04 -1.26 -4.65 135.00 125.36 3fkf n PRO 44 Ca 0.25 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.38 3fkf n PRO 44 Cb 0.52 -1.54 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 3fkf n PRO 44 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3fkf s GLN 45 N -3.01 2.28 0.35 0.54 -1.52 -1.26 -5.01 119.66 112.04 3fkf s GLN 45 Ca 0.13 -1.44 0.08 0.00 -1.95 0.00 0.00 55.36 52.18 3fkf s GLN 45 Cb 0.18 -3.33 0.80 0.00 -0.22 0.00 0.00 33.01 30.44 3fkf s GLN 45 CO 0.56 -0.77 1.87 -1.35 -0.25 0.00 0.00 175.29 175.35 3fkf h PRO 46 N 8.02 0.69 0.00 2.91 0.11 -2.03 -1.74 132.00 139.96 3fkf h PRO 46 Ca -0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3fkf h PRO 46 Cb 1.06 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3fkf h PRO 46 CO 0.59 0.46 0.00 0.93 -0.21 0.00 0.00 178.00 179.77 3fkf h GLU 47 N 0.71 0.00 0.19 1.05 4.39 -1.98 -2.17 114.58 116.77 3fkf h GLU 47 Ca 0.44 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 3fkf h GLU 47 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3fkf h GLU 47 CO -0.20 0.00 -0.09 0.00 -1.16 0.00 0.00 179.01 177.56 3fkf h ALA 48 N 2.04 -0.25 -0.19 3.43 0.00 -1.75 -2.42 119.26 120.12 3fkf h ALA 48 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3fkf h ALA 48 Cb 0.13 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fkf h ALA 48 CO 0.00 -0.63 -0.62 -0.91 0.00 0.00 0.00 179.25 177.09 3fkf h ASN 49 N -0.28 0.73 -0.99 0.00 2.35 -1.68 -2.95 115.58 112.76 3fkf h ASN 49 Ca -0.03 -0.42 0.03 0.00 -0.55 0.00 0.00 56.30 55.34 3fkf h ASN 49 Cb 0.21 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 3fkf h ASN 49 CO 0.04 1.17 0.65 0.00 -1.65 0.00 0.00 177.43 177.65 3fkf h ALA 50 N 0.83 1.31 -0.18 -0.83 0.00 -1.42 0.31 119.26 119.27 3fkf h ALA 50 Ca -0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3fkf h ALA 50 Cb 1.20 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3fkf h ALA 50 CO 0.12 0.56 -0.59 1.05 0.00 0.00 0.00 179.25 180.39 3fkf h GLU 51 N 1.27 0.60 -0.67 0.00 4.11 -1.42 -2.11 114.58 116.36 3fkf h GLU 51 Ca 0.39 -0.40 -0.06 0.00 0.07 0.00 0.00 59.36 59.36 3fkf h GLU 51 Cb -0.02 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3fkf h GLU 51 CO -0.12 1.02 0.18 -0.07 0.07 0.00 0.00 179.01 180.09 3fkf h LEU 52 N 0.45 1.00 -0.82 3.06 3.38 -1.24 -2.19 115.31 118.94 3fkf h LEU 52 Ca -0.00 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3fkf h LEU 52 Cb 1.16 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3fkf h LEU 52 CO 0.11 0.96 0.51 0.11 0.09 0.00 0.00 178.44 180.22 3fkf h LYS 53 N 0.99 0.92 -0.76 1.13 1.57 -0.79 0.13 116.57 119.76 3fkf h LYS 53 Ca 0.21 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3fkf h LYS 53 Cb 0.34 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3fkf h LYS 53 CO -0.00 0.61 0.36 0.00 -0.57 0.00 0.00 179.45 179.85 3fkf h ARG 54 N 0.95 1.10 -0.39 3.15 3.08 -1.24 -1.61 114.38 119.42 3fkf h ARG 54 Ca 0.35 -0.16 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 3fkf h ARG 54 Cb 0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3fkf h ARG 54 CO -0.16 0.86 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.32 3fkf h LEU 55 N 1.07 0.86 -0.28 3.04 3.38 -0.83 0.69 115.31 123.25 3fkf h LEU 55 Ca 0.26 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3fkf h LEU 55 Cb 0.12 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3fkf h LEU 55 CO -0.03 1.08 -0.20 -1.13 0.09 0.00 0.00 178.44 178.25 3fkf h ASN 56 N 0.63 -0.65 -0.07 -0.43 -1.24 -0.47 -1.57 115.58 111.78 3fkf h ASN 56 Ca 0.08 0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.25 3fkf h ASN 56 Cb 0.77 0.33 -0.02 0.00 0.73 0.00 0.00 38.32 40.13 3fkf h ASN 56 CO 0.06 -0.24 -0.06 0.50 -1.29 0.00 0.00 177.43 176.40 3fkf h LYS 57 N -0.18 -0.07 -0.74 6.67 1.63 -1.24 -2.56 116.57 120.07 3fkf h LYS 57 Ca 0.15 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 3fkf h LYS 57 Cb 0.41 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 3fkf h LYS 57 CO -0.38 -0.05 0.38 1.49 -3.45 0.00 0.00 179.45 177.44 3fkf h GLU 58 N -0.07 1.04 -0.32 1.90 4.81 -0.48 -3.11 114.58 118.35 3fkf h GLU 58 Ca 0.05 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3fkf h GLU 58 Cb 0.15 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3fkf h GLU 58 CO -0.12 0.79 0.00 0.66 -0.73 0.00 0.00 179.01 179.61 3fkf n TYR 59 N -4.34 1.09 -0.33 0.92 4.01 -0.62 -4.73 117.16 113.16 3fkf n TYR 59 Ca 0.07 -0.82 0.18 0.00 -0.16 0.00 0.00 57.90 57.17 3fkf n TYR 59 Cb 0.12 -0.32 0.42 0.00 -0.31 0.00 0.00 39.34 39.24 3fkf n TYR 59 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3fkf h LYS 60 N 2.20 0.54 -0.01 -0.72 3.64 -1.38 -1.66 116.57 119.18 3fkf h LYS 60 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fkf h LYS 60 Cb 1.48 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3fkf h LYS 60 CO 0.25 0.36 -0.44 1.63 -2.27 0.00 0.00 179.45 178.97 3fkf n LYS 61 N -4.74 0.74 -3.02 1.90 5.02 -1.26 -4.86 118.16 111.94 3fkf n LYS 61 Ca 0.25 -0.52 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 3fkf n LYS 61 Cb 0.74 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 3fkf n LYS 61 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fkf s ASN 62 N -2.62 6.59 0.00 4.39 3.84 -0.63 -4.86 114.94 121.65 3fkf s ASN 62 Ca 0.19 0.54 0.26 0.00 0.21 0.00 0.00 52.86 54.06 3fkf s ASN 62 Cb 0.18 -2.37 0.59 0.00 -0.55 0.00 0.00 41.25 39.09 3fkf s ASN 62 CO 0.60 -0.56 1.47 1.17 -2.79 0.00 0.00 177.10 176.98 3fkf n LYS 63 N 6.08 1.37 -0.01 0.43 3.00 -1.26 -2.50 118.16 125.26 3fkf n LYS 63 Ca 0.02 -0.95 0.09 0.00 -0.00 0.00 0.00 58.31 57.47 3fkf n LYS 63 Cb 0.48 -1.48 0.51 0.00 0.00 0.00 0.00 35.03 34.54 3fkf n LYS 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3fkf n ASN 64 N 0.01 0.26 -3.86 3.14 3.02 -1.26 -4.85 115.26 111.72 3fkf n ASN 64 Ca 0.14 -1.48 -0.14 0.00 -0.03 0.00 0.00 54.58 53.06 3fkf n ASN 64 Cb 0.41 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.42 3fkf n ASN 64 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3fkf s PHE 65 N -1.97 0.15 0.00 3.10 5.36 -1.04 -0.44 117.98 123.14 3fkf s PHE 65 Ca 0.28 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.26 3fkf s PHE 65 Cb 0.13 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 3fkf s PHE 65 CO 0.22 -0.04 0.00 0.00 -1.46 0.00 0.00 175.22 173.93 3fkf n ALA 66 N 3.48 0.00 -3.52 11.12 0.00 -0.55 -4.86 120.51 126.18 3fkf n ALA 66 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.28 3fkf n ALA 66 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 3fkf n ALA 66 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fkf s LEU 68 N 0.00 -0.15 -0.08 0.00 2.96 -0.43 -1.05 118.68 119.92 3fkf s LEU 68 Ca 0.00 0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.96 3fkf s LEU 68 Cb 0.00 1.21 -0.05 0.00 0.50 0.00 0.00 46.19 47.85 3fkf s LEU 68 CO 0.00 -0.04 0.51 -0.83 -1.32 0.00 0.00 176.35 174.68 3fkf s GLY 69 N 1.42 2.46 -0.21 7.98 0.00 0.26 -0.80 107.32 118.44 3fkf s GLY 69 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.55 3fkf s GLY 69 CO -0.12 0.74 -0.13 -0.42 0.00 0.00 0.00 173.10 173.16 3fkf s ILE 70 N 0.30 1.90 -0.10 0.90 1.01 0.17 -0.11 121.20 125.27 3fkf s ILE 70 Ca 0.28 -1.17 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 3fkf s ILE 70 Cb -0.16 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3fkf s ILE 70 CO 0.13 0.21 0.16 -0.55 0.00 0.00 0.00 174.94 174.88 3fkf s SER 71 N 1.29 6.41 -0.18 3.58 0.15 0.00 -1.51 113.70 123.44 3fkf s SER 71 Ca -0.02 0.48 0.06 0.00 0.70 0.00 0.00 55.95 57.17 3fkf s SER 71 Cb -0.16 -2.07 0.46 0.00 -1.71 0.00 0.00 66.02 62.53 3fkf s SER 71 CO -0.09 0.38 1.32 0.18 1.20 0.00 0.00 173.24 176.24 3fkf n LEU 72 N 1.82 4.21 -4.71 3.45 4.32 0.11 -4.41 117.00 121.79 3fkf n LEU 72 Ca -0.18 -2.16 -0.33 0.00 -0.02 0.00 0.00 56.01 53.31 3fkf n LEU 72 Cb 0.55 -0.64 0.11 0.00 -1.62 0.00 0.00 43.42 41.82 3fkf n LEU 72 CO 0.33 0.58 0.76 -1.81 -1.22 0.00 0.00 177.39 176.03 3fkf s ASP 73 N -0.42 3.89 0.00 -1.43 1.01 -1.26 -3.71 116.67 114.75 3fkf s ASP 73 Ca 0.32 2.28 0.01 0.00 0.71 0.00 0.00 52.55 55.87 3fkf s ASP 73 Cb 0.26 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.61 3fkf s ASP 73 CO 0.08 -2.46 0.47 2.30 0.21 0.00 0.00 175.17 175.78 3fkf n ILE 74 N -3.16 0.00 -3.95 0.77 -5.35 -1.26 -3.59 119.36 102.82 3fkf n ILE 74 Ca 0.13 -0.50 -0.29 0.00 -0.27 0.00 0.00 62.75 61.82 3fkf n ILE 74 Cb 0.51 1.02 -0.16 0.00 -1.74 0.00 0.00 39.64 39.26 3fkf n ILE 74 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3fkf s ASP 75 N -0.18 3.04 0.41 7.28 -1.08 -1.26 -4.93 116.67 119.96 3fkf s ASP 75 Ca 0.01 -0.73 0.08 0.00 -0.52 0.00 0.00 52.55 51.39 3fkf s ASP 75 Cb 0.01 -1.08 0.87 0.00 -1.46 0.00 0.00 42.92 41.26 3fkf s ASP 75 CO 0.01 -0.15 2.04 -0.09 0.52 0.00 0.00 175.17 177.50 3fkf h ARG 76 N 8.05 0.46 -0.24 4.34 2.43 -1.99 -1.53 114.38 125.90 3fkf h ARG 76 Ca -0.28 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.74 3fkf h ARG 76 Cb 1.11 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3fkf h ARG 76 CO 0.45 0.34 -0.31 1.49 -1.51 0.00 0.00 179.97 180.43 3fkf h GLU 77 N 0.47 0.63 -0.77 0.20 4.81 -1.99 -1.75 114.58 116.18 3fkf h GLU 77 Ca 0.12 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 3fkf h GLU 77 Cb 0.01 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3fkf h GLU 77 CO -0.02 0.97 0.34 0.00 -0.73 0.00 0.00 179.01 179.57 3fkf h ALA 78 N 0.65 1.15 0.28 2.92 0.00 -1.94 -0.86 119.26 121.47 3fkf h ALA 78 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3fkf h ALA 78 Cb 0.89 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fkf h ALA 78 CO 0.07 0.63 -0.13 2.35 0.00 0.00 0.00 179.25 182.17 3fkf h TRP 79 N 1.10 -0.35 -0.31 0.00 7.01 -1.19 -1.56 115.95 120.65 3fkf h TRP 79 Ca 0.26 -0.01 -0.14 0.00 2.11 0.00 0.00 58.89 61.12 3fkf h TRP 79 Cb 0.16 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 3fkf h TRP 79 CO 0.02 -0.21 -0.36 0.93 -2.79 0.00 0.00 178.44 176.03 3fkf h GLU 80 N -0.39 0.71 -0.97 2.65 4.39 -1.19 -1.77 114.58 118.01 3fkf h GLU 80 Ca -0.04 -0.35 0.06 0.00 0.34 0.00 0.00 59.36 59.38 3fkf h GLU 80 Cb 0.29 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 3fkf h GLU 80 CO 0.06 0.96 0.63 1.15 -1.16 0.00 0.00 179.01 180.65 3fkf h THR 81 N 0.59 1.08 -0.21 1.13 2.02 -1.05 -0.63 112.91 115.85 3fkf h THR 81 Ca 0.06 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 3fkf h THR 81 Cb 0.89 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3fkf h THR 81 CO 0.08 0.21 -0.42 0.00 0.37 0.00 0.00 175.52 175.76 3fkf h ALA 82 N 1.47 0.34 -0.23 6.16 0.00 -0.90 0.23 119.26 126.33 3fkf h ALA 82 Ca 0.42 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fkf h ALA 82 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fkf h ALA 82 CO -0.16 0.45 0.04 0.82 0.00 0.00 0.00 179.25 180.41 3fkf h ILE 83 N 0.36 0.89 -0.23 0.00 2.04 -0.97 -1.58 117.51 118.01 3fkf h ILE 83 Ca 0.01 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3fkf h ILE 83 Cb 1.02 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3fkf h ILE 83 CO 0.09 0.02 0.04 0.50 0.00 0.00 0.00 178.15 178.81 3fkf h LYS 84 N 0.13 0.39 -0.72 2.37 1.63 -0.94 -1.21 116.57 118.22 3fkf h LYS 84 Ca 0.11 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3fkf h LYS 84 Cb 0.11 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 3fkf h LYS 84 CO -0.14 0.52 0.47 -0.22 -3.45 0.00 0.00 179.45 176.62 3fkf h LYS 85 N 0.19 0.90 -0.32 1.90 3.64 -0.63 -2.41 116.57 119.84 3fkf h LYS 85 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fkf h LYS 85 Cb 0.31 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3fkf h LYS 85 CO 0.00 0.59 0.00 -0.25 -2.27 0.00 0.00 179.45 177.53 3fkf n ASP 86 N -4.62 2.94 -3.93 4.20 10.43 -0.62 -4.98 116.55 119.96 3fkf n ASP 86 Ca 0.07 -1.92 -0.41 0.00 2.57 0.00 0.00 54.79 55.11 3fkf n ASP 86 Cb 0.06 -0.20 0.03 0.00 1.84 0.00 0.00 41.12 42.85 3fkf n ASP 86 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3fkf n THR 87 N 1.16 -3.88 -2.32 -3.53 5.66 -0.72 -4.87 114.28 105.78 3fkf n THR 87 Ca 0.18 -0.74 -0.43 0.00 -3.05 0.00 0.00 64.05 60.02 3fkf n THR 87 Cb 0.53 -3.05 0.00 0.00 -1.55 0.00 0.00 70.33 66.26 3fkf n THR 87 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3fkf n LEU 88 N -4.73 5.63 0.10 1.09 4.32 -0.54 -4.81 117.00 118.06 3fkf n LEU 88 Ca -0.11 -4.04 0.13 0.00 -0.02 0.00 0.00 56.01 51.97 3fkf n LEU 88 Cb 0.58 -1.71 0.33 0.00 -1.62 0.00 0.00 43.42 41.00 3fkf n LEU 88 CO 0.72 0.52 0.74 0.77 -1.22 0.00 0.00 177.39 178.92 3fkf h SER 89 N 6.99 0.00 -3.95 -1.43 4.64 -1.89 -3.45 113.55 114.46 3fkf h SER 89 Ca 0.48 -0.06 -0.44 0.00 -0.47 0.00 0.00 61.79 61.30 3fkf h SER 89 Cb 0.79 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.04 3fkf h SER 89 CO 1.59 0.03 0.36 -1.66 -0.87 0.00 0.00 176.83 176.28 3fkf s TRP 90 N -3.12 1.46 0.24 4.77 -2.14 -1.26 -4.96 118.94 113.93 3fkf s TRP 90 Ca 0.09 0.40 -0.31 0.00 2.66 0.00 0.00 56.10 58.94 3fkf s TRP 90 Cb 0.12 -3.91 -0.13 0.00 -3.10 0.00 0.00 33.47 26.45 3fkf s TRP 90 CO 0.63 -2.87 1.42 -0.25 -2.66 0.00 0.00 176.95 173.23 3fkf n ASP 91 N -3.96 2.83 -3.99 -2.66 8.00 -1.26 -4.87 116.55 110.63 3fkf n ASP 91 Ca 0.14 1.14 -0.27 0.00 0.71 0.00 0.00 54.79 56.52 3fkf n ASP 91 Cb 0.59 -1.44 -0.17 0.00 -0.02 0.00 0.00 41.12 40.09 3fkf n ASP 91 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3fkf s GLN 92 N -0.44 1.83 0.19 -1.24 -1.52 -1.26 -0.57 119.66 116.64 3fkf s GLN 92 Ca 0.68 -0.41 0.09 0.00 -1.95 0.00 0.00 55.36 53.77 3fkf s GLN 92 Cb -0.64 -1.65 -0.04 0.00 -0.22 0.00 0.00 33.01 30.46 3fkf s GLN 92 CO 0.50 -0.11 -0.19 0.14 -0.25 0.00 0.00 175.29 175.37 3fkf s VAL 93 N 1.16 1.98 -0.24 1.09 -7.23 0.84 -3.45 120.40 114.55 3fkf s VAL 93 Ca -0.05 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.89 3fkf s VAL 93 Cb -0.14 -1.98 0.07 0.00 0.56 0.00 0.00 36.38 34.89 3fkf s VAL 93 CO -0.03 -0.33 0.62 0.00 -0.31 0.00 0.00 175.10 175.06 3fkf n ASP 95 N 3.31 2.83 -1.04 0.00 5.75 -1.26 -4.05 116.55 122.09 3fkf n ASP 95 Ca -0.16 -2.39 -0.12 0.00 -0.01 0.00 0.00 54.79 52.11 3fkf n ASP 95 Cb 0.56 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.35 3fkf n ASP 95 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3fkf n PHE 96 N -0.26 -0.19 0.65 2.11 3.72 -1.24 -4.89 117.46 117.37 3fkf n PHE 96 Ca 0.12 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.63 3fkf n PHE 96 Cb 0.52 -2.33 0.14 0.00 -0.94 0.00 0.00 39.48 36.87 3fkf n PHE 96 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fkf n THR 97 N -3.12 0.23 -4.10 4.37 -2.24 -1.26 -4.67 114.28 103.48 3fkf n THR 97 Ca -0.12 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3fkf n THR 97 Cb 0.46 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3fkf n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fkf n GLY 98 N 1.38 -0.27 0.32 3.38 0.00 -1.24 -3.33 105.19 105.42 3fkf n GLY 98 Ca 0.03 -1.07 0.19 0.00 0.00 0.00 0.00 46.02 45.17 3fkf n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fkf h LEU 99 N 0.00 0.00 -0.47 0.99 3.38 -1.96 0.29 115.31 117.54 3fkf h LEU 99 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fkf h LEU 99 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3fkf h LEU 99 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3fkf n SER 100 N -3.47 0.70 -4.64 -0.43 3.41 -1.21 -4.93 113.62 103.05 3fkf n SER 100 Ca -0.03 -1.88 -0.52 0.00 -0.26 0.00 0.00 58.87 56.19 3fkf n SER 100 Cb 0.11 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3fkf n SER 100 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3fkf n SER 101 N -0.17 2.19 0.04 4.04 2.88 0.09 -4.88 113.62 117.81 3fkf n SER 101 Ca 0.07 1.09 -0.07 0.00 -1.33 0.00 0.00 58.87 58.64 3fkf n SER 101 Cb 0.13 -1.23 0.11 0.00 -0.75 0.00 0.00 64.21 62.47 3fkf n SER 101 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3fkf h GLU 102 N 5.78 0.41 -0.58 -1.46 4.39 -1.91 -2.30 114.58 118.90 3fkf h GLU 102 Ca -0.47 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 58.98 3fkf h GLU 102 Cb 1.31 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 3fkf h GLU 102 CO 0.85 0.83 0.35 1.15 -1.16 0.00 0.00 179.01 181.03 3fkf h THR 103 N 0.32 1.17 -0.20 1.13 2.02 -1.95 0.07 112.91 115.47 3fkf h THR 103 Ca 0.01 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3fkf h THR 103 Cb 1.02 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3fkf h THR 103 CO 0.09 0.18 0.07 0.00 0.37 0.00 0.00 175.52 176.23 3fkf h ALA 104 N 1.17 0.26 -0.24 6.16 0.00 -1.91 -1.61 119.26 123.09 3fkf h ALA 104 Ca 0.21 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fkf h ALA 104 Cb -0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3fkf h ALA 104 CO -0.04 -0.13 -0.13 -0.22 0.00 0.00 0.00 179.25 178.74 3fkf h LYS 105 N 0.15 -0.10 -0.27 0.00 3.64 -1.25 0.20 116.57 118.94 3fkf h LYS 105 Ca 0.06 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3fkf h LYS 105 Cb 0.21 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3fkf h LYS 105 CO -0.00 -0.07 -0.13 1.96 -2.27 0.00 0.00 179.45 178.95 3fkf h GLN 106 N -0.10 0.45 -0.11 1.90 4.20 -0.80 -0.08 115.11 120.57 3fkf h GLN 106 Ca 0.13 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3fkf h GLN 106 Cb 0.30 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3fkf h GLN 106 CO -0.31 0.58 0.00 0.66 -0.67 0.00 0.00 178.83 179.09 3fkf n TYR 107 N -4.21 0.14 -3.83 2.96 4.02 -0.62 -4.82 117.16 110.80 3fkf n TYR 107 Ca 0.00 -0.07 -0.25 0.00 -0.01 0.00 0.00 57.90 57.58 3fkf n TYR 107 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 3fkf n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fkf n ALA 108 N -0.20 -2.08 -2.59 -0.72 0.00 -0.04 -4.92 120.51 109.95 3fkf n ALA 108 Ca 0.08 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 3fkf n ALA 108 Cb 0.13 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 3fkf n ALA 108 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fkf s ILE 109 N -3.81 4.91 -0.09 0.00 -1.09 0.59 -4.90 121.20 116.82 3fkf s ILE 109 Ca 0.06 0.82 0.14 0.00 -2.23 0.00 0.00 60.65 59.44 3fkf s ILE 109 Cb -0.02 -4.03 -0.20 0.00 -1.58 0.00 0.00 42.46 36.63 3fkf s ILE 109 CO 0.86 -0.19 0.17 0.18 -1.23 0.00 0.00 174.94 174.73 3fkf n LEU 110 N 5.95 0.00 -4.09 2.97 4.77 -1.26 -4.62 117.00 120.72 3fkf n LEU 110 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 3fkf n LEU 110 Cb 0.49 0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 3fkf n LEU 110 CO 0.47 0.20 -0.29 0.42 -1.33 0.00 0.00 177.39 176.87 3fkf s THR 111 N -2.66 0.15 0.07 -5.08 -4.23 -1.26 -5.18 115.64 97.45 3fkf s THR 111 Ca -0.06 -1.79 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 3fkf s THR 111 Cb 0.07 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 3fkf s THR 111 CO 0.61 -0.67 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.04 3fkf s LEU 112 N -2.98 2.22 0.67 4.79 1.43 -1.26 -4.09 118.68 119.47 3fkf s LEU 112 Ca 0.16 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 3fkf s LEU 112 Cb 0.07 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.28 3fkf s LEU 112 CO -0.04 0.14 1.06 -2.16 0.23 0.00 0.00 176.35 175.59 3fkf s PRO 113 N -1.48 2.96 -0.03 1.29 0.04 -1.26 -4.98 135.00 131.55 3fkf s PRO 113 Ca 0.08 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.17 3fkf s PRO 113 Cb -0.09 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3fkf s PRO 113 CO 0.03 -1.08 0.05 0.99 0.04 0.00 0.00 177.00 177.03 3fkf s THR 114 N -2.85 -0.05 -0.08 1.26 2.01 -0.48 -4.99 115.64 110.47 3fkf s THR 114 Ca 0.60 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.68 3fkf s THR 114 Cb -0.15 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 3fkf s THR 114 CO 0.50 0.07 0.22 0.20 -0.69 0.00 0.00 174.62 174.91 3fkf s ASN 115 N 0.88 6.51 -0.06 3.53 0.01 -1.26 -0.71 114.94 123.84 3fkf s ASN 115 Ca -0.07 0.61 0.01 0.00 -0.71 0.00 0.00 52.86 52.70 3fkf s ASN 115 Cb -0.10 -2.12 0.02 0.00 0.41 0.00 0.00 41.25 39.46 3fkf s ASN 115 CO -0.03 0.38 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.25 3fkf s ILE 116 N -1.05 0.75 -0.18 0.60 -1.09 0.59 -0.68 121.20 120.14 3fkf s ILE 116 Ca 0.18 -0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 58.33 3fkf s ILE 116 Cb -0.13 -0.75 -0.02 0.00 -1.58 0.00 0.00 42.46 39.97 3fkf s ILE 116 CO 0.07 0.28 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.81 3fkf s LEU 117 N 1.02 3.19 -0.00 2.97 2.96 0.21 -0.10 118.68 128.93 3fkf s LEU 117 Ca -0.09 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3fkf s LEU 117 Cb -0.14 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3fkf s LEU 117 CO -0.00 0.10 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.27 3fkf s LEU 118 N 0.75 2.97 0.68 -0.68 1.43 0.76 0.23 118.68 124.83 3fkf s LEU 118 Ca -0.01 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 3fkf s LEU 118 Cb -0.14 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3fkf s LEU 118 CO 0.02 0.29 1.06 -0.94 0.23 0.00 0.00 176.35 177.02 3fkf s SER 119 N -1.26 5.66 0.37 2.29 1.04 -0.32 -1.15 113.70 120.32 3fkf s SER 119 Ca 0.15 1.35 0.19 0.00 0.48 0.00 0.00 55.95 58.12 3fkf s SER 119 Cb -0.11 -2.26 1.23 0.00 0.10 0.00 0.00 66.02 64.98 3fkf s SER 119 CO 0.05 -1.23 1.63 -0.65 0.98 0.00 0.00 173.24 174.02 3fkf h PRO 120 N -0.57 0.17 -0.25 4.02 0.11 -1.85 0.32 132.00 133.95 3fkf h PRO 120 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fkf h PRO 120 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fkf h PRO 120 CO 0.61 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 178.77 3fkf n THR 121 N -5.06 0.34 -0.51 -1.15 -2.24 -1.26 -4.34 114.28 100.05 3fkf n THR 121 Ca 0.35 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3fkf n THR 121 Cb 1.15 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 3fkf n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fkf n GLY 122 N 0.94 0.75 3.85 3.38 0.00 0.11 -4.93 105.19 109.29 3fkf n GLY 122 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3fkf n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fkf s LYS 123 N -0.49 3.87 -0.23 1.61 -2.85 -1.26 0.17 119.74 120.56 3fkf s LYS 123 Ca 0.00 0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 55.02 3fkf s LYS 123 Cb 0.00 -3.10 -0.02 0.00 -2.06 0.00 0.00 37.83 32.65 3fkf s LYS 123 CO 0.00 0.62 1.55 0.42 0.10 0.00 0.00 175.35 178.03 3fkf s ILE 124 N -1.24 3.79 -0.09 3.79 1.01 0.07 -1.18 121.20 127.35 3fkf s ILE 124 Ca 0.29 0.90 0.12 0.00 0.00 0.00 0.00 60.65 61.96 3fkf s ILE 124 Cb -0.15 -3.79 -0.24 0.00 0.01 0.00 0.00 42.46 38.29 3fkf s ILE 124 CO 0.16 -0.32 0.49 0.18 0.00 0.00 0.00 174.94 175.45 3fkf n LEU 125 N 8.19 0.85 -3.54 2.97 4.77 0.14 -4.57 117.00 125.79 3fkf n LEU 125 Ca 0.18 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.31 3fkf n LEU 125 Cb 0.45 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 3fkf n LEU 125 CO 0.64 0.46 0.59 0.00 -1.33 0.00 0.00 177.39 177.75 3fkf s ALA 126 N -2.57 -1.84 0.09 -1.18 0.00 -1.20 -5.00 121.76 110.06 3fkf s ALA 126 Ca -0.08 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 3fkf s ALA 126 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3fkf s ALA 126 CO 0.82 -0.35 0.11 -0.98 0.00 0.00 0.00 175.76 175.36 3fkf s ARG 127 N -1.21 0.82 -1.44 0.00 1.70 -1.26 -0.62 118.95 116.94 3fkf s ARG 127 Ca -0.07 -1.13 -0.02 0.00 -0.47 0.00 0.00 55.73 54.04 3fkf s ARG 127 Cb -0.00 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 3fkf s ARG 127 CO 0.06 -0.23 0.21 -0.25 -1.08 0.00 0.00 175.30 174.00 3fkf n ASP 128 N -0.03 -5.29 -4.78 -2.89 8.00 0.15 -4.98 116.55 106.73 3fkf n ASP 128 Ca -0.13 -0.11 -0.36 0.00 0.71 0.00 0.00 54.79 54.91 3fkf n ASP 128 Cb 0.62 -4.27 -0.08 0.00 -0.02 0.00 0.00 41.12 37.38 3fkf n ASP 128 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3fkf s ILE 129 N -2.96 4.95 0.24 0.53 -4.36 -1.26 -4.94 121.20 113.40 3fkf s ILE 129 Ca 0.10 -0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.50 3fkf s ILE 129 Cb -0.05 -3.13 -0.05 0.00 1.25 0.00 0.00 42.46 40.48 3fkf s ILE 129 CO 0.13 0.61 0.08 -1.10 0.24 0.00 0.00 174.94 174.90 3fkf s GLN 130 N -0.91 1.35 5.56 0.37 -0.21 -1.26 -4.60 119.66 119.96 3fkf s GLN 130 Ca 0.14 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 53.80 3fkf s GLN 130 Cb -0.12 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.65 3fkf s GLN 130 CO 0.03 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 3fkf n GLY 131 N -0.42 3.14 0.17 3.09 0.00 -1.26 -1.94 105.19 107.98 3fkf n GLY 131 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 3fkf n GLY 131 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fkf h GLU 132 N 0.00 0.07 -0.76 1.61 4.57 -1.98 -0.31 114.58 117.77 3fkf h GLU 132 Ca 0.00 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.26 3fkf h GLU 132 Cb 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.54 3fkf h GLU 132 CO 0.00 0.54 0.50 0.00 -1.18 0.00 0.00 179.01 178.87 3fkf h ALA 133 N 1.45 1.88 0.00 2.92 0.00 -1.79 0.16 119.26 123.90 3fkf h ALA 133 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3fkf h ALA 133 Cb 0.88 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fkf h ALA 133 CO 0.07 -0.06 -0.23 1.25 0.00 0.00 0.00 179.25 180.28 3fkf h LEU 134 N 0.61 0.00 -1.23 0.00 5.85 -1.04 -3.25 115.31 116.25 3fkf h LEU 134 Ca 0.36 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3fkf h LEU 134 Cb 0.58 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3fkf h LEU 134 CO -0.13 0.71 0.04 0.71 -0.34 0.00 0.00 178.44 179.43 3fkf h THR 135 N -1.00 1.19 -0.40 1.05 1.35 -1.09 -2.11 112.91 111.91 3fkf h THR 135 Ca -0.03 -0.74 -0.06 0.00 -0.55 0.00 0.00 66.41 65.03 3fkf h THR 135 Cb 0.38 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3fkf h THR 135 CO -0.02 0.26 0.02 1.23 -0.25 0.00 0.00 175.52 176.76 3fkf h GLY 136 N 0.83 0.75 1.11 5.82 0.00 -0.87 -1.74 103.07 108.98 3fkf h GLY 136 Ca 0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 3fkf h GLY 136 CO 0.00 0.50 0.30 1.70 0.00 0.00 0.00 176.54 179.04 3fkf h LYS 137 N 0.53 1.12 -0.12 4.80 1.63 -1.53 -2.56 116.57 120.45 3fkf h LYS 137 Ca 0.12 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3fkf h LYS 137 Cb 0.45 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3fkf h LYS 137 CO 0.02 0.91 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.85 3fkf h LEU 138 N 1.10 0.22 -0.89 5.20 3.38 -1.31 -1.57 115.31 121.44 3fkf h LEU 138 Ca 0.25 -0.35 0.24 0.00 0.09 0.00 0.00 57.88 58.11 3fkf h LEU 138 Cb 0.21 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.77 3fkf h LEU 138 CO -0.02 0.51 0.29 0.11 0.09 0.00 0.00 178.44 179.42 3fkf h LYS 139 N -0.09 0.24 0.00 1.13 1.57 -1.34 0.32 116.57 118.41 3fkf h LYS 139 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3fkf h LYS 139 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3fkf h LYS 139 CO 0.01 0.16 0.00 1.49 -0.57 0.00 0.00 179.45 180.54 3fkf h GLU 140 N 0.25 0.00 0.02 3.15 4.81 -1.20 -3.29 114.58 118.32 3fkf h GLU 140 Ca 0.56 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.47 3fkf h GLU 140 Cb 1.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 3fkf h GLU 140 CO -0.63 0.00 -1.93 1.28 -0.73 0.00 0.00 179.01 177.00 3fkf n LEU 141 N -2.98 1.01 -0.61 1.64 4.77 -0.29 -5.10 117.00 115.44 3fkf n LEU 141 Ca 0.04 0.27 0.08 0.00 -0.03 0.00 0.00 56.01 56.37 3fkf n LEU 141 Cb 0.47 0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 3fkf n LEU 141 CO 0.32 0.50 0.49 0.18 -1.33 0.00 0.00 177.39 177.55