#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfb n MET 12 N 0.00 0.00 -3.99 -3.83 2.81 -1.26 -5.01 117.12 105.84 3kfb n MET 12 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 3kfb n MET 12 Cb 0.00 -0.38 -0.17 0.00 -0.71 0.00 0.00 33.22 31.96 3kfb n MET 12 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kfb s LYS 13 N -2.00 1.23 -0.05 0.03 1.02 -1.08 -5.06 119.74 113.83 3kfb s LYS 13 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.83 3kfb s LYS 13 Cb 0.00 -1.32 0.02 0.00 -0.52 0.00 0.00 37.83 36.02 3kfb s LYS 13 CO 0.00 -0.22 -0.02 0.50 -0.92 0.00 0.00 175.35 174.69 3kfb s ARG 14 N 1.55 0.71 -0.19 1.68 3.52 -1.26 -1.48 118.95 123.47 3kfb s ARG 14 Ca 0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 55.73 55.52 3kfb s ARG 14 Cb -0.13 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.37 3kfb s ARG 14 CO -0.05 -0.16 0.06 0.71 -0.81 0.00 0.00 175.30 175.05 3kfb s TYR 15 N 1.28 3.21 -0.22 5.12 2.02 -1.17 -4.99 117.35 122.59 3kfb s TYR 15 Ca -0.05 -0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 56.52 3kfb s TYR 15 Cb -0.14 -2.10 -0.05 0.00 -0.40 0.00 0.00 41.96 39.27 3kfb s TYR 15 CO -0.02 0.05 0.14 -1.64 -1.57 0.00 0.00 175.55 172.51 3kfb s MET 16 N 0.61 4.11 3.07 -0.62 -1.94 -1.26 -3.07 119.30 120.19 3kfb s MET 16 Ca 0.03 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 3kfb s MET 16 Cb -0.13 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.24 3kfb s MET 16 CO 0.01 0.17 0.00 0.41 -0.01 0.00 0.00 175.02 175.60 3kfb n GLY 17 N 3.94 0.97 0.24 -0.03 0.00 0.15 -1.45 105.19 109.02 3kfb n GLY 17 Ca -0.16 0.61 0.09 0.00 0.00 0.00 0.00 46.02 46.56 3kfb n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfb h ARG 18 N 0.00 0.00 0.00 1.61 3.08 -1.94 -1.15 114.38 115.98 3kfb h ARG 18 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3kfb h ARG 18 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3kfb h ARG 18 CO 0.00 0.17 -0.57 -0.44 -1.07 0.00 0.00 179.97 178.06 3kfb h ASP 19 N 0.00 0.50 -0.36 7.04 3.32 -1.60 -2.60 116.42 122.72 3kfb h ASP 19 Ca -0.00 -0.77 -0.11 0.00 0.02 0.00 0.00 57.03 56.17 3kfb h ASP 19 Cb 0.36 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3kfb h ASP 19 CO 0.02 1.20 -0.17 0.00 -1.72 0.00 0.00 179.24 178.58 3kfb h ALA 20 N 0.31 0.89 -0.58 3.45 0.00 -1.58 0.11 119.26 121.86 3kfb h ALA 20 Ca -0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3kfb h ALA 20 Cb 1.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3kfb h ALA 20 CO 0.11 0.63 0.03 1.96 0.00 0.00 0.00 179.25 181.98 3kfb h GLN 21 N 0.74 1.00 0.00 0.00 4.20 -1.31 -2.66 115.11 117.08 3kfb h GLN 21 Ca 0.11 -0.31 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 3kfb h GLN 21 Cb 0.68 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3kfb h GLN 21 CO 0.05 0.98 -0.66 -0.09 -0.67 0.00 0.00 178.83 178.44 3kfb h ARG 22 N 0.89 0.00 -0.14 1.46 2.43 -1.36 -2.28 114.38 115.38 3kfb h ARG 22 Ca 0.17 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3kfb h ARG 22 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3kfb h ARG 22 CO 0.02 0.66 0.07 1.98 -1.51 0.00 0.00 179.97 181.20 3kfb h MET 23 N 0.00 0.20 0.11 0.20 4.05 -0.67 -2.36 114.93 116.47 3kfb h MET 23 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3kfb h MET 23 Cb 1.26 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 3kfb h MET 23 CO 0.09 0.25 -0.05 -0.91 0.23 0.00 0.00 176.91 176.51 3kfb h ASN 24 N 0.11 -0.13 -0.86 1.39 2.35 -1.50 -2.34 115.58 114.60 3kfb h ASN 24 Ca 0.05 -0.42 0.17 0.00 -0.55 0.00 0.00 56.30 55.55 3kfb h ASN 24 Cb 0.11 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 3kfb h ASN 24 CO -0.01 0.41 0.56 0.40 -1.65 0.00 0.00 177.43 177.15 3kfb h ILE 25 N -0.72 0.76 -0.08 2.81 2.04 -1.46 0.48 117.51 121.34 3kfb h ILE 25 Ca -0.02 -0.18 -0.18 0.00 1.00 0.00 0.00 64.86 65.49 3kfb h ILE 25 Cb 0.54 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3kfb h ILE 25 CO 0.02 0.09 -0.66 0.25 0.00 0.00 0.00 178.15 177.85 3kfb h LEU 26 N 0.52 0.72 -1.51 1.44 6.46 -1.48 -1.36 115.31 120.10 3kfb h LEU 26 Ca 0.44 -0.68 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 3kfb h LEU 26 Cb 0.93 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 3kfb h LEU 26 CO -0.18 1.29 -0.01 0.00 -0.62 0.00 0.00 178.44 178.92 3kfb h ALA 27 N 0.45 1.61 0.05 1.25 0.00 -0.42 -1.10 119.26 121.10 3kfb h ALA 27 Ca -0.06 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 3kfb h ALA 27 Cb 1.32 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.04 3kfb h ALA 27 CO 0.13 0.29 -1.07 0.78 0.00 0.00 0.00 179.25 179.39 3kfb h GLY 28 N 0.60 0.71 2.00 0.00 0.00 -1.01 -3.14 103.07 102.23 3kfb h GLY 28 Ca 0.07 -1.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.00 3kfb h GLY 28 CO 0.01 1.19 -0.26 3.21 0.00 0.00 0.00 176.54 180.69 3kfb h ARG 29 N 0.28 0.00 0.01 4.80 3.08 -0.97 -2.29 114.38 119.29 3kfb h ARG 29 Ca -0.15 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.67 3kfb h ARG 29 Cb 1.74 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.76 3kfb h ARG 29 CO 0.21 0.26 -1.15 0.97 -1.07 0.00 0.00 179.97 179.19 3kfb h ILE 30 N 0.00 1.55 0.00 2.04 2.10 -1.24 -2.00 117.51 119.95 3kfb h ILE 30 Ca -0.00 -3.27 0.00 0.00 1.08 0.00 0.00 64.86 62.66 3kfb h ILE 30 Cb 0.47 2.78 0.00 0.00 -1.09 0.00 0.00 36.82 38.98 3kfb h ILE 30 CO 0.03 0.89 -0.56 0.16 -1.08 0.00 0.00 178.15 177.59 3kfb h ILE 31 N 0.01 0.00 0.00 2.19 3.07 -1.52 -3.18 117.51 118.08 3kfb h ILE 31 Ca -0.07 -0.59 -0.09 0.00 1.55 0.00 0.00 64.86 65.66 3kfb h ILE 31 Cb 1.83 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 39.60 3kfb h ILE 31 CO 0.13 0.00 -0.44 0.00 -1.05 0.00 0.00 178.15 176.79 3kfb h ALA 32 N 2.41 0.82 0.00 0.16 0.00 -1.32 -3.14 119.26 118.19 3kfb h ALA 32 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3kfb h ALA 32 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kfb h ALA 32 CO 0.00 0.55 -0.19 0.39 0.00 0.00 0.00 179.25 180.00 3kfb n GLU 33 N -3.35 0.15 0.11 0.00 1.02 -0.76 -3.05 120.64 114.76 3kfb n GLU 33 Ca 0.01 0.10 -0.02 0.00 -0.02 0.00 0.00 57.16 57.22 3kfb n GLU 33 Cb 0.63 -1.65 0.07 0.00 -0.02 0.00 0.00 31.44 30.47 3kfb n GLU 33 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kfb h THR 34 N 0.00 1.45 -0.01 2.62 2.02 -1.53 -3.23 112.91 114.23 3kfb h THR 34 Ca 0.00 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.64 3kfb h THR 34 Cb 0.64 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3kfb h THR 34 CO 0.00 0.71 -0.40 1.33 0.37 0.00 0.00 175.52 177.53 3kfb n VAL 35 N -3.57 0.00 -0.17 3.16 0.24 -1.23 -4.64 118.33 112.12 3kfb n VAL 35 Ca -0.00 -0.30 0.12 0.00 -2.04 0.00 0.00 64.34 62.12 3kfb n VAL 35 Cb 0.73 1.21 0.45 0.00 -1.47 0.00 0.00 33.84 34.76 3kfb n VAL 35 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3kfb h ARG 36 N 1.97 0.51 0.00 7.34 3.08 -1.56 -1.67 114.38 124.06 3kfb h ARG 36 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kfb h ARG 36 Cb 0.62 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3kfb h ARG 36 CO 0.00 0.34 0.00 -1.13 -1.07 0.00 0.00 179.97 178.11 3kfb n SER 37 N -4.49 0.00 0.02 7.04 3.41 -1.26 -3.09 113.62 115.25 3kfb n SER 37 Ca 0.13 -0.60 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 3kfb n SER 37 Cb 0.43 -0.12 0.08 0.00 -0.26 0.00 0.00 64.21 64.34 3kfb n SER 37 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kfb n THR 38 N -1.12 0.13 -2.61 6.66 -2.24 -0.63 -0.17 114.28 114.31 3kfb n THR 38 Ca 0.19 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 3kfb n THR 38 Cb 0.16 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 3kfb n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kfb s LEU 39 N -3.66 4.18 0.00 3.22 0.20 -1.18 -4.39 118.68 117.05 3kfb s LEU 39 Ca 0.06 1.52 0.00 0.00 0.69 0.00 0.00 54.13 56.40 3kfb s LEU 39 Cb 0.15 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 3kfb s LEU 39 CO 0.78 -0.61 0.00 0.61 -0.29 0.00 0.00 176.35 176.84 3kfb n GLY 40 N 3.30 1.57 0.20 7.98 0.00 -1.26 -4.12 105.19 112.86 3kfb n GLY 40 Ca 0.11 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 44.10 3kfb n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kfb h PRO 41 N 0.00 0.00 -0.56 1.61 0.11 -1.87 -3.05 132.00 128.24 3kfb h PRO 41 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3kfb h PRO 41 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kfb h PRO 41 CO 0.00 0.32 0.01 1.63 -0.21 0.00 0.00 178.00 179.75 3kfb n LYS 42 N -4.04 4.76 -2.25 1.05 4.76 -1.26 -4.23 118.16 116.95 3kfb n LYS 42 Ca -0.02 -3.15 -0.28 0.00 -2.87 0.00 0.00 58.31 51.99 3kfb n LYS 42 Cb 0.38 -2.25 0.04 0.00 -1.84 0.00 0.00 35.03 31.36 3kfb n LYS 42 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfb s GLY 43 N -0.87 1.61 0.20 0.72 0.00 -1.15 -4.42 107.32 103.40 3kfb s GLY 43 Ca 0.54 -0.60 0.08 0.00 0.00 0.00 0.00 44.72 44.75 3kfb s GLY 43 CO 0.15 -0.29 -0.02 1.06 0.00 0.00 0.00 173.10 174.00 3kfb s MET 44 N -5.10 2.29 0.50 2.90 -1.94 0.76 -4.92 119.30 113.80 3kfb s MET 44 Ca 0.55 -1.22 -0.03 0.00 -1.71 0.00 0.00 55.69 53.28 3kfb s MET 44 Cb -0.11 -2.26 -0.01 0.00 2.01 0.00 0.00 34.83 34.47 3kfb s MET 44 CO 0.47 0.43 0.76 -0.51 -0.01 0.00 0.00 175.02 176.16 3kfb s ASP 45 N -3.10 5.86 0.11 3.03 1.01 -1.26 -4.01 116.67 118.31 3kfb s ASP 45 Ca 0.28 0.57 0.09 0.00 0.71 0.00 0.00 52.55 54.19 3kfb s ASP 45 Cb -0.08 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 3kfb s ASP 45 CO 0.18 -0.78 -0.19 -0.54 0.21 0.00 0.00 175.17 174.05 3kfb s LYS 46 N -4.72 1.76 -0.24 8.23 -0.14 -0.79 -4.96 119.74 118.88 3kfb s LYS 46 Ca 0.49 -1.18 -0.05 0.00 -1.36 0.00 0.00 55.97 53.87 3kfb s LYS 46 Cb -0.10 -2.09 -0.01 0.00 -1.68 0.00 0.00 37.83 33.95 3kfb s LYS 46 CO 0.42 0.48 0.01 1.41 -0.76 0.00 0.00 175.35 176.90 3kfb s MET 47 N -2.05 3.33 -0.20 1.68 -2.45 -1.26 -2.14 119.30 116.21 3kfb s MET 47 Ca 0.17 -0.67 -0.05 0.00 -1.25 0.00 0.00 55.69 53.89 3kfb s MET 47 Cb -0.10 -3.15 -0.02 0.00 1.25 0.00 0.00 34.83 32.80 3kfb s MET 47 CO 0.09 -0.27 -0.01 -0.51 1.05 0.00 0.00 175.02 175.37 3kfb s LEU 48 N 1.50 3.20 0.02 4.11 1.02 -0.79 -4.99 118.68 122.75 3kfb s LEU 48 Ca 0.05 -0.22 0.06 0.00 0.02 0.00 0.00 54.13 54.04 3kfb s LEU 48 Cb -0.15 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 3kfb s LEU 48 CO -0.01 0.07 -0.17 -0.69 0.02 0.00 0.00 176.35 175.57 3kfb s VAL 49 N 0.98 2.85 0.00 -1.59 1.01 -1.26 -1.11 120.40 121.28 3kfb s VAL 49 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3kfb s VAL 49 Cb -0.14 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3kfb s VAL 49 CO 0.01 0.40 0.00 -0.90 0.00 0.00 0.00 175.10 174.61 3kfb n ASP 50 N 1.73 0.92 0.17 3.32 5.75 -1.15 -5.01 116.55 122.27 3kfb n ASP 50 Ca -0.16 -0.01 0.05 0.00 -0.01 0.00 0.00 54.79 54.66 3kfb n ASP 50 Cb 0.52 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.80 3kfb n ASP 50 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 3kfb h ASP 51 N 0.00 0.00 0.49 -1.12 3.04 -2.01 -3.23 116.42 113.59 3kfb h ASP 51 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3kfb h ASP 51 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3kfb h ASP 51 CO 0.00 0.39 -0.49 0.18 -2.04 0.00 0.00 179.24 177.28 3kfb n LEU 52 N -3.31 0.52 0.00 0.15 4.77 -1.26 -4.93 117.00 112.94 3kfb n LEU 52 Ca 0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kfb n LEU 52 Cb 0.61 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kfb n LEU 52 CO 0.38 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3kfb n GLY 53 N 1.49 0.57 3.67 -0.72 0.00 -1.22 -5.04 105.19 103.95 3kfb n GLY 53 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3kfb n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfb s ASP 54 N -2.92 6.79 -0.11 1.61 1.01 -1.26 -4.84 116.67 116.94 3kfb s ASP 54 Ca 0.00 2.06 -0.05 0.00 0.71 0.00 0.00 52.55 55.27 3kfb s ASP 54 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3kfb s ASP 54 CO 0.00 -0.83 0.06 0.54 0.21 0.00 0.00 175.17 175.16 3kfb s VAL 55 N 3.45 4.84 -0.07 -1.27 0.11 -1.26 -2.96 120.40 123.24 3kfb s VAL 55 Ca 0.66 -0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.66 3kfb s VAL 55 Cb -0.30 -3.09 0.03 0.00 -1.53 0.00 0.00 36.38 31.49 3kfb s VAL 55 CO 0.25 0.59 -0.02 0.54 -3.33 0.00 0.00 175.10 173.12 3kfb s VAL 56 N -0.74 0.49 -0.25 2.04 0.11 -0.27 -5.01 120.40 116.77 3kfb s VAL 56 Ca 0.12 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.09 3kfb s VAL 56 Cb -0.12 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 3kfb s VAL 56 CO 0.03 0.26 0.13 -0.69 -3.33 0.00 0.00 175.10 171.49 3kfb s VAL 57 N 1.61 4.91 0.08 2.04 1.01 -1.26 -1.89 120.40 126.90 3kfb s VAL 57 Ca -0.00 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 3kfb s VAL 57 Cb -0.13 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 32.98 3kfb s VAL 57 CO -0.04 0.32 0.40 0.28 0.00 0.00 0.00 175.10 176.06 3kfb s THR 58 N 1.46 0.06 -0.95 3.92 -1.32 -0.91 -4.78 115.64 113.12 3kfb s THR 58 Ca 0.06 -0.53 0.15 0.00 -1.21 0.00 0.00 61.69 60.16 3kfb s THR 58 Cb -0.15 -1.06 -0.10 0.00 -1.51 0.00 0.00 72.50 69.68 3kfb s THR 58 CO 0.06 -0.29 0.69 -3.20 -2.21 0.00 0.00 174.62 169.68 3kfb n ASN 59 N 0.17 1.01 -4.66 8.08 2.85 -1.26 -1.88 115.26 119.57 3kfb n ASN 59 Ca -0.17 -1.01 -0.42 0.00 -0.11 0.00 0.00 54.58 52.87 3kfb n ASN 59 Cb 0.62 0.80 -0.03 0.00 1.24 0.00 0.00 39.78 42.42 3kfb n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3kfb s ASP 60 N -2.17 6.77 0.04 1.20 2.15 -1.26 -4.93 116.67 118.47 3kfb s ASP 60 Ca 0.08 2.05 -0.33 0.00 0.43 0.00 0.00 52.55 54.79 3kfb s ASP 60 Cb 0.11 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 40.02 3kfb s ASP 60 CO 0.52 -0.86 1.38 1.23 -0.17 0.00 0.00 175.17 177.27 3kfb h GLY 61 N 9.94 -1.17 0.32 2.66 0.00 -1.93 -2.86 103.07 110.02 3kfb h GLY 61 Ca -0.35 0.43 0.13 0.00 0.00 0.00 0.00 47.33 47.54 3kfb h GLY 61 CO 0.96 -0.43 0.44 -0.24 0.00 0.00 0.00 176.54 177.27 3kfb h VAL 62 N -1.25 0.78 0.00 4.60 3.04 -1.87 -0.78 116.25 120.77 3kfb h VAL 62 Ca -0.11 -0.23 -0.02 0.00 -1.01 0.00 0.00 66.70 65.33 3kfb h VAL 62 Cb 0.87 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3kfb h VAL 62 CO 0.19 0.12 -0.11 0.71 -1.01 0.00 0.00 177.57 177.47 3kfb h THR 63 N 0.66 0.43 0.14 3.17 1.35 -1.96 0.21 112.91 116.92 3kfb h THR 63 Ca 0.44 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 3kfb h THR 63 Cb 0.56 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3kfb h THR 63 CO -0.33 0.11 -0.07 0.40 -0.25 0.00 0.00 175.52 175.38 3kfb h ILE 64 N 0.00 0.98 -0.61 6.82 2.04 -0.93 -2.85 117.51 122.96 3kfb h ILE 64 Ca -0.00 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 3kfb h ILE 64 Cb 0.39 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3kfb h ILE 64 CO 0.01 0.23 0.19 -0.07 0.00 0.00 0.00 178.15 178.52 3kfb h LEU 65 N -0.76 0.86 -0.17 1.44 3.38 -1.00 -3.02 115.31 116.03 3kfb h LEU 65 Ca -0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3kfb h LEU 65 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3kfb h LEU 65 CO 0.03 0.81 -0.05 0.03 0.09 0.00 0.00 178.44 179.35 3kfb h ARG 66 N 0.90 0.33 -1.37 1.13 3.08 -0.72 -3.29 114.38 114.45 3kfb h ARG 66 Ca 0.20 -0.13 -0.71 0.00 0.07 0.00 0.00 59.98 59.41 3kfb h ARG 66 Cb 0.26 -0.02 -0.29 0.00 0.08 0.00 0.00 29.97 30.01 3kfb h ARG 66 CO -0.01 0.61 0.90 0.39 -1.07 0.00 0.00 179.97 180.79 3kfb n GLU 67 N -4.66 2.74 -4.02 0.04 1.02 -1.07 -4.85 120.64 109.84 3kfb n GLU 67 Ca -0.05 -3.41 -0.13 0.00 -0.02 0.00 0.00 57.16 53.55 3kfb n GLU 67 Cb 0.27 -2.28 -0.13 0.00 -0.02 0.00 0.00 31.44 29.28 3kfb n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfb s MET 68 N -3.91 0.30 -0.86 3.49 0.23 -1.15 -4.95 119.30 112.45 3kfb s MET 68 Ca 0.60 -0.32 -0.25 0.00 -1.03 0.00 0.00 55.69 54.69 3kfb s MET 68 Cb 0.48 -0.17 -0.00 0.00 -1.53 0.00 0.00 34.83 33.61 3kfb s MET 68 CO -0.16 0.04 1.68 -1.12 -2.03 0.00 0.00 175.02 173.43 3kfb s SER 69 N -0.61 5.73 -0.20 -1.18 0.01 -1.26 -4.95 113.70 111.24 3kfb s SER 69 Ca -0.04 -0.68 -0.08 0.00 1.31 0.00 0.00 55.95 56.46 3kfb s SER 69 Cb -0.04 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3kfb s SER 69 CO -0.00 -2.17 0.08 -0.69 0.41 0.00 0.00 173.24 170.87 3kfb s VAL 70 N 7.71 4.84 -0.01 3.43 1.01 -1.26 -4.99 120.40 131.12 3kfb s VAL 70 Ca 0.57 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.59 3kfb s VAL 70 Cb -0.06 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.03 3kfb s VAL 70 CO 0.03 0.42 0.11 -0.62 0.00 0.00 0.00 175.10 175.04 3kfb n GLU 71 N 3.86 0.62 -2.13 2.72 -0.58 -1.26 -4.88 120.64 118.99 3kfb n GLU 71 Ca -0.16 -0.04 -0.43 0.00 -0.42 0.00 0.00 57.16 56.11 3kfb n GLU 71 Cb 0.52 -1.13 -0.03 0.00 -0.57 0.00 0.00 31.44 30.23 3kfb n GLU 71 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3kfb s HIS 72 N -2.35 2.16 0.37 -0.32 2.46 -1.26 -4.91 115.29 111.45 3kfb s HIS 72 Ca -0.02 0.55 0.17 0.00 0.47 0.00 0.00 55.06 56.23 3kfb s HIS 72 Cb 0.03 -3.95 1.09 0.00 -0.13 0.00 0.00 32.58 29.63 3kfb s HIS 72 CO 0.23 -2.91 1.72 -1.00 -2.47 0.00 0.00 174.74 170.31 3kfb h PRO 73 N 10.42 0.37 -0.26 2.88 0.13 -1.99 0.30 132.00 143.85 3kfb h PRO 73 Ca -0.33 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.62 3kfb h PRO 73 Cb 1.15 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3kfb h PRO 73 CO 1.00 0.25 -0.46 0.00 -0.23 0.00 0.00 178.00 178.55 3kfb h ALA 74 N 1.69 0.71 -0.29 -0.56 0.00 -1.91 -2.98 119.26 115.92 3kfb h ALA 74 Ca 0.67 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3kfb h ALA 74 Cb 1.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 3kfb h ALA 74 CO -0.42 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 3kfb h ALA 75 N 0.95 0.39 -0.92 0.00 0.00 -1.20 -3.02 119.26 115.47 3kfb h ALA 75 Ca 0.03 -0.26 0.24 0.00 0.00 0.00 0.00 54.91 54.92 3kfb h ALA 75 Cb 1.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3kfb h ALA 75 CO 0.09 0.17 0.63 0.87 0.00 0.00 0.00 179.25 181.02 3kfb h LYS 76 N 0.30 0.20 0.00 0.00 1.57 -1.17 -1.64 116.57 115.83 3kfb h LYS 76 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kfb h LYS 76 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kfb h LYS 76 CO 0.02 0.13 -0.37 0.52 -0.57 0.00 0.00 179.45 179.18 3kfb h MET 77 N 0.20 0.00 0.00 3.15 2.86 -1.40 -3.09 114.93 116.66 3kfb h MET 77 Ca 0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 3kfb h MET 77 Cb 1.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 3kfb h MET 77 CO -0.11 0.00 -1.21 -0.11 1.06 0.00 0.00 176.91 176.54 3kfb n LEU 78 N -2.41 0.61 0.14 1.22 7.94 -0.68 -3.66 117.00 120.17 3kfb n LEU 78 Ca 0.04 0.19 -0.00 0.00 -1.11 0.00 0.00 56.01 55.12 3kfb n LEU 78 Cb 0.47 -0.06 0.25 0.00 0.53 0.00 0.00 43.42 44.61 3kfb n LEU 78 CO 0.35 -0.10 0.62 0.40 -1.11 0.00 0.00 177.39 177.55 3kfb h ILE 79 N 0.00 1.34 -0.33 1.96 2.04 -1.31 -2.82 117.51 118.38 3kfb h ILE 79 Ca 0.00 -1.63 0.10 0.00 1.00 0.00 0.00 64.86 64.32 3kfb h ILE 79 Cb 0.94 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3kfb h ILE 79 CO 0.00 0.47 0.29 -0.33 0.00 0.00 0.00 178.15 178.58 3kfb h GLU 80 N 0.06 0.00 -0.42 2.37 4.39 -1.62 0.95 114.58 120.31 3kfb h GLU 80 Ca 0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 3kfb h GLU 80 Cb 0.86 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 3kfb h GLU 80 CO 0.06 0.00 -0.26 0.28 -1.16 0.00 0.00 179.01 177.93 3kfb h VAL 81 N 0.00 1.27 0.18 3.13 2.07 -1.68 -0.88 116.25 120.33 3kfb h VAL 81 Ca 0.16 -1.42 -0.31 0.00 0.82 0.00 0.00 66.70 65.95 3kfb h VAL 81 Cb 0.73 1.23 0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3kfb h VAL 81 CO -0.00 0.48 -1.42 0.00 0.02 0.00 0.00 177.57 176.64 3kfb h ALA 82 N 0.94 0.04 -0.55 1.67 0.00 -1.43 -2.95 119.26 116.98 3kfb h ALA 82 Ca 0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 54.91 54.03 3kfb h ALA 82 Cb 0.82 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3kfb h ALA 82 CO 0.07 0.91 0.20 -0.22 0.00 0.00 0.00 179.25 180.20 3kfb h LYS 83 N 0.10 0.80 -0.31 0.00 3.64 -0.77 -2.34 116.57 117.69 3kfb h LYS 83 Ca -0.22 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3kfb h LYS 83 Cb 2.06 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 3kfb h LYS 83 CO 0.22 0.67 0.00 0.25 -2.27 0.00 0.00 179.45 178.32 3kfb n THR 84 N -4.32 0.40 0.02 1.00 -2.24 -0.34 -3.23 114.28 105.56 3kfb n THR 84 Ca 0.04 -0.57 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 3kfb n THR 84 Cb 0.18 0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 68.89 3kfb n THR 84 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3kfb h GLN 85 N 3.29 0.28 -0.21 -0.78 5.75 -1.24 -3.14 115.11 119.06 3kfb h GLN 85 Ca 0.00 -0.47 -0.08 0.00 -0.15 0.00 0.00 58.65 57.94 3kfb h GLN 85 Cb 0.73 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 3kfb h GLN 85 CO 0.00 1.21 -0.24 1.05 -2.65 0.00 0.00 178.83 178.20 3kfb h GLU 86 N 0.08 0.38 -0.44 1.69 4.11 -1.60 0.48 114.58 119.27 3kfb h GLU 86 Ca -0.41 -0.13 -0.09 0.00 0.07 0.00 0.00 59.36 58.81 3kfb h GLU 86 Cb 2.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 3kfb h GLU 86 CO 0.10 0.59 -0.07 -0.22 0.07 0.00 0.00 179.01 179.48 3kfb h LYS 87 N 0.34 0.78 0.00 1.06 1.63 -1.66 -2.92 116.57 115.80 3kfb h LYS 87 Ca 0.05 -0.24 -0.16 0.00 -0.85 0.00 0.00 60.65 59.45 3kfb h LYS 87 Cb 0.61 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 3kfb h LYS 87 CO 0.04 0.83 -2.03 0.39 -3.45 0.00 0.00 179.45 175.24 3kfb n GLU 88 N -4.18 0.88 0.02 1.90 -0.58 -1.18 -4.86 120.64 112.63 3kfb n GLU 88 Ca 0.02 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 3kfb n GLU 88 Cb 0.34 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 3kfb n GLU 88 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kfb n VAL 89 N -2.40 0.32 0.00 2.62 0.31 0.10 -5.05 118.33 114.23 3kfb n VAL 89 Ca -0.16 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3kfb n VAL 89 Cb 0.79 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 3kfb n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kfb n GLY 90 N 2.94 2.45 3.27 2.92 0.00 -0.87 -4.14 105.19 111.77 3kfb n GLY 90 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 3kfb n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kfb s ASP 91 N -0.11 2.04 0.00 1.61 2.15 -1.26 -4.45 116.67 116.64 3kfb s ASP 91 Ca 0.00 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.02 3kfb s ASP 91 Cb 0.00 -0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.56 3kfb s ASP 91 CO 0.00 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 3kfb n GLY 92 N -0.06 0.81 0.21 2.66 0.00 -1.26 -4.85 105.19 102.69 3kfb n GLY 92 Ca -0.11 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 3kfb n GLY 92 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kfb h THR 93 N 0.00 1.31 -0.22 2.61 1.35 -1.90 -2.90 112.91 113.16 3kfb h THR 93 Ca 0.00 -2.02 -0.17 0.00 -0.55 0.00 0.00 66.41 63.67 3kfb h THR 93 Cb 0.00 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3kfb h THR 93 CO 0.00 0.63 -0.53 0.74 -0.25 0.00 0.00 175.52 176.11 3kfb h THR 94 N 0.45 1.30 -0.27 6.82 2.02 -1.94 -3.19 112.91 118.09 3kfb h THR 94 Ca -0.04 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.39 3kfb h THR 94 Cb 1.35 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3kfb h THR 94 CO 0.14 0.55 0.10 0.71 0.37 0.00 0.00 175.52 177.40 3kfb h THR 95 N 0.48 1.11 -0.18 3.16 1.35 -1.97 -1.86 112.91 115.00 3kfb h THR 95 Ca -0.00 -0.35 -0.16 0.00 -0.55 0.00 0.00 66.41 65.35 3kfb h THR 95 Cb 1.14 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 3kfb h THR 95 CO 0.12 0.13 -0.56 0.00 -0.25 0.00 0.00 175.52 174.96 3kfb h ALA 96 N 1.74 0.69 -0.00 6.62 0.00 -1.52 -2.02 119.26 124.78 3kfb h ALA 96 Ca 0.10 -0.52 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 3kfb h ALA 96 Cb 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kfb h ALA 96 CO -0.01 0.69 -0.84 0.28 0.00 0.00 0.00 179.25 179.37 3kfb h VAL 97 N 0.42 1.35 -0.35 0.00 2.07 -1.50 -2.44 116.25 115.79 3kfb h VAL 97 Ca 0.01 -2.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.32 3kfb h VAL 97 Cb 1.10 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 3kfb h VAL 97 CO 0.10 0.65 0.05 0.58 0.02 0.00 0.00 177.57 178.98 3kfb h VAL 98 N 0.17 1.18 -0.08 2.57 2.07 -1.34 0.87 116.25 121.69 3kfb h VAL 98 Ca -0.11 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3kfb h VAL 98 Cb 1.52 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3kfb h VAL 98 CO 0.17 0.24 -0.24 0.58 0.02 0.00 0.00 177.57 178.34 3kfb h VAL 99 N 0.52 1.41 -0.98 2.57 2.07 -1.40 -2.24 116.25 118.19 3kfb h VAL 99 Ca 0.12 -1.59 0.13 0.00 0.82 0.00 0.00 66.70 66.18 3kfb h VAL 99 Cb 0.25 2.23 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 3kfb h VAL 99 CO 0.00 0.45 0.62 0.00 0.02 0.00 0.00 177.57 178.66 3kfb h ALA 100 N 0.47 1.60 -0.23 1.67 0.00 -1.12 -0.23 119.26 121.42 3kfb h ALA 100 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kfb h ALA 100 Cb 0.85 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kfb h ALA 100 CO 0.05 0.14 0.09 0.78 0.00 0.00 0.00 179.25 180.32 3kfb h GLY 101 N 0.91 0.37 2.00 0.00 0.00 -0.77 -2.69 103.07 102.89 3kfb h GLY 101 Ca 0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 3kfb h GLY 101 CO -0.26 0.19 -0.02 -2.09 0.00 0.00 0.00 176.54 174.36 3kfb h GLU 102 N 0.22 0.00 -0.05 4.80 4.57 -0.80 -1.56 114.58 121.76 3kfb h GLU 102 Ca 0.08 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.10 3kfb h GLU 102 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3kfb h GLU 102 CO -0.01 0.02 -0.66 -0.07 -1.18 0.00 0.00 179.01 177.11 3kfb h LEU 103 N 0.00 0.25 -0.17 1.64 3.38 -1.00 -2.42 115.31 116.99 3kfb h LEU 103 Ca -0.00 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 3kfb h LEU 103 Cb 0.67 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3kfb h LEU 103 CO 0.00 0.84 -0.62 -0.07 0.09 0.00 0.00 178.44 178.68 3kfb h LEU 104 N 0.15 0.84 -0.37 1.67 3.38 -1.03 -2.47 115.31 117.49 3kfb h LEU 104 Ca -0.01 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 3kfb h LEU 104 Cb 1.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3kfb h LEU 104 CO 0.10 1.30 0.21 -0.09 0.09 0.00 0.00 178.44 180.05 3kfb h ARG 105 N 0.43 0.51 0.00 1.13 2.43 -1.36 -2.08 114.38 115.43 3kfb h ARG 105 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3kfb h ARG 105 Cb 1.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3kfb h ARG 105 CO 0.13 0.41 0.00 1.63 -1.51 0.00 0.00 179.97 180.63 3kfb n LYS 106 N -4.77 0.14 0.08 0.20 4.76 -0.91 -2.92 118.16 114.74 3kfb n LYS 106 Ca -0.00 0.29 -0.21 0.00 -2.87 0.00 0.00 58.31 55.52 3kfb n LYS 106 Cb 0.07 -1.73 -0.15 0.00 -1.84 0.00 0.00 35.03 31.39 3kfb n LYS 106 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfb h ALA 107 N 2.46 0.14 0.00 7.82 0.00 -0.89 -3.32 119.26 125.46 3kfb h ALA 107 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3kfb h ALA 107 Cb 0.42 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kfb h ALA 107 CO 0.00 1.01 0.00 1.05 0.00 0.00 0.00 179.25 181.31 3kfb h GLU 108 N 0.10 0.00 0.00 0.00 4.11 -1.33 -1.76 114.58 115.70 3kfb h GLU 108 Ca -0.29 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.11 3kfb h GLU 108 Cb 2.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.33 3kfb h GLU 108 CO 0.19 0.00 -0.16 0.93 0.07 0.00 0.00 179.01 180.04 3kfb h GLU 109 N 0.00 0.00 0.03 1.06 5.08 -1.65 -0.72 114.58 118.38 3kfb h GLU 109 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 3kfb h GLU 109 Cb 0.71 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 3kfb h GLU 109 CO 0.00 0.16 -1.78 1.28 -1.00 0.00 0.00 179.01 177.67 3kfb n LEU 110 N -3.43 1.31 0.15 1.33 4.77 -0.84 -3.66 117.00 116.63 3kfb n LEU 110 Ca -0.01 0.37 0.02 0.00 -0.03 0.00 0.00 56.01 56.36 3kfb n LEU 110 Cb 0.34 -0.15 0.18 0.00 -2.33 0.00 0.00 43.42 41.47 3kfb n LEU 110 CO 0.31 0.50 0.53 -0.07 -1.33 0.00 0.00 177.39 177.33 3kfb h LEU 111 N 0.02 0.00 0.00 2.23 3.38 -1.11 -0.89 115.31 118.93 3kfb h LEU 111 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3kfb h LEU 111 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3kfb h LEU 111 CO 0.08 0.54 -0.11 0.47 0.09 0.00 0.00 178.44 179.51 3kfb n ASP 112 N -3.52 0.38 -1.64 -0.43 9.92 -0.30 -2.48 116.55 118.48 3kfb n ASP 112 Ca -0.00 0.41 0.09 0.00 -0.53 0.00 0.00 54.79 54.75 3kfb n ASP 112 Cb 0.63 -0.45 0.36 0.00 -0.64 0.00 0.00 41.12 41.02 3kfb n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kfb n GLN 113 N -1.80 3.96 -1.12 -1.24 6.02 -1.02 -4.95 117.38 117.24 3kfb n GLN 113 Ca 0.06 -2.86 -0.04 0.00 -0.01 0.00 0.00 57.00 54.15 3kfb n GLN 113 Cb 0.38 -1.98 -0.02 0.00 1.02 0.00 0.00 30.24 29.64 3kfb n GLN 113 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kfb n ASN 114 N 0.98 -4.02 -4.64 1.08 3.02 -1.04 -4.99 115.26 105.66 3kfb n ASN 114 Ca 0.26 0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.48 3kfb n ASN 114 Cb 0.95 -1.88 -0.02 0.00 -0.61 0.00 0.00 39.78 38.21 3kfb n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kfb s VAL 115 N -1.98 3.94 0.24 2.41 1.01 -0.37 -4.96 120.40 120.69 3kfb s VAL 115 Ca 0.00 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3kfb s VAL 115 Cb 0.00 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.35 3kfb s VAL 115 CO 0.00 -0.30 1.19 1.57 0.00 0.00 0.00 175.10 177.56 3kfb n HIS 116 N 7.70 1.61 0.14 5.22 -0.00 -1.26 -4.38 115.22 124.26 3kfb n HIS 116 Ca 0.16 0.61 0.16 0.00 0.46 0.00 0.00 57.72 59.11 3kfb n HIS 116 Cb 0.45 -2.33 0.72 0.00 -0.12 0.00 0.00 29.99 28.72 3kfb n HIS 116 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3kfb h PRO 117 N 3.08 0.00 0.00 1.57 0.11 -1.93 -1.53 132.00 133.30 3kfb h PRO 117 Ca -0.43 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 3kfb h PRO 117 Cb 1.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3kfb h PRO 117 CO 0.68 0.00 -0.60 1.79 -0.21 0.00 0.00 178.00 179.66 3kfb h THR 118 N 0.00 1.40 -0.03 -1.15 1.35 -1.90 -1.92 112.91 110.66 3kfb h THR 118 Ca 0.12 -2.07 -0.20 0.00 -0.55 0.00 0.00 66.41 63.71 3kfb h THR 118 Cb 0.54 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3kfb h THR 118 CO -0.00 0.59 -0.85 0.40 -0.25 0.00 0.00 175.52 175.41 3kfb h ILE 119 N 0.00 1.41 0.14 6.82 1.08 -1.65 -2.32 117.51 122.99 3kfb h ILE 119 Ca -0.01 -2.36 -0.01 0.00 -0.39 0.00 0.00 64.86 62.09 3kfb h ILE 119 Cb 1.08 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 37.14 3kfb h ILE 119 CO 0.08 0.70 -0.07 0.58 -0.69 0.00 0.00 178.15 178.76 3kfb h VAL 120 N 0.22 1.01 0.00 1.67 2.07 -1.34 -2.31 116.25 117.57 3kfb h VAL 120 Ca -0.05 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3kfb h VAL 120 Cb 1.45 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3kfb h VAL 120 CO 0.14 0.16 -0.13 1.62 0.02 0.00 0.00 177.57 179.38 3kfb h VAL 121 N -0.51 0.62 -0.02 2.57 3.04 -1.42 -0.37 116.25 120.16 3kfb h VAL 121 Ca -0.02 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 65.08 3kfb h VAL 121 Cb 0.40 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3kfb h VAL 121 CO 0.03 0.13 -0.05 0.50 -1.01 0.00 0.00 177.57 177.17 3kfb h LYS 122 N 0.00 0.08 -0.17 4.17 3.64 -1.24 -2.71 116.57 120.33 3kfb h LYS 122 Ca -0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3kfb h LYS 122 Cb 0.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3kfb h LYS 122 CO 0.02 0.62 -0.22 0.78 -2.27 0.00 0.00 179.45 178.37 3kfb h GLY 123 N -0.46 0.33 1.52 5.01 0.00 -1.21 -1.85 103.07 106.41 3kfb h GLY 123 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 3kfb h GLY 123 CO 0.01 0.23 -0.12 -0.97 0.00 0.00 0.00 176.54 175.69 3kfb h TYR 124 N 0.28 0.63 0.12 5.60 0.99 -1.06 -1.04 116.97 122.48 3kfb h TYR 124 Ca 0.05 -0.10 -0.28 0.00 2.00 0.00 0.00 58.73 60.39 3kfb h TYR 124 Cb 0.56 -0.17 -0.00 0.00 1.00 0.00 0.00 36.73 38.12 3kfb h TYR 124 CO 0.01 0.68 -1.35 0.37 -0.00 0.00 0.00 178.16 177.87 3kfb h GLN 125 N 0.53 0.26 -0.04 4.88 4.15 -1.32 -2.27 115.11 121.31 3kfb h GLN 125 Ca 0.10 -0.44 -0.06 0.00 0.77 0.00 0.00 58.65 59.02 3kfb h GLN 125 Cb 0.52 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 3kfb h GLN 125 CO 0.03 1.17 -0.28 0.00 -1.93 0.00 0.00 178.83 177.82 3kfb h ALA 126 N 0.56 1.47 0.12 3.38 0.00 -1.21 -1.79 119.26 121.80 3kfb h ALA 126 Ca -0.17 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.19 3kfb h ALA 126 Cb 1.99 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.72 3kfb h ALA 126 CO 0.19 0.39 -1.22 0.00 0.00 0.00 0.00 179.25 178.61 3kfb h ALA 127 N 1.66 0.12 0.00 0.00 0.00 -1.18 -3.04 119.26 116.82 3kfb h ALA 127 Ca 0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 54.91 53.99 3kfb h ALA 127 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kfb h ALA 127 CO 0.04 0.94 -0.31 0.00 0.00 0.00 0.00 179.25 179.92 3kfb h ALA 128 N 0.58 0.84 0.21 0.00 0.00 -1.16 -0.42 119.26 119.32 3kfb h ALA 128 Ca -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3kfb h ALA 128 Cb 1.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3kfb h ALA 128 CO 0.20 0.39 -0.10 0.37 0.00 0.00 0.00 179.25 180.11 3kfb h GLN 129 N 0.00 -0.27 -0.25 0.00 4.15 -1.41 -2.87 115.11 114.46 3kfb h GLN 129 Ca -0.00 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3kfb h GLN 129 Cb 1.11 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 3kfb h GLN 129 CO 0.04 0.03 0.13 -0.22 -1.93 0.00 0.00 178.83 176.88 3kfb h LYS 130 N -0.58 0.33 -0.14 1.69 1.63 -1.39 -2.65 116.57 115.47 3kfb h LYS 130 Ca -0.03 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 3kfb h LYS 130 Cb 0.42 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 3kfb h LYS 130 CO 0.05 0.26 -0.41 0.00 -3.45 0.00 0.00 179.45 175.89 3kfb h ALA 131 N 1.80 1.04 -0.25 5.00 0.00 -1.04 -0.45 119.26 125.36 3kfb h ALA 131 Ca 0.09 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 3kfb h ALA 131 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kfb h ALA 131 CO -0.01 0.61 -0.52 1.96 0.00 0.00 0.00 179.25 181.28 3kfb h GLN 132 N 0.26 0.79 0.00 0.00 1.08 -1.24 -2.24 115.11 113.76 3kfb h GLN 132 Ca 0.02 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 3kfb h GLN 132 Cb 0.84 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3kfb h GLN 132 CO 0.07 1.15 -0.28 -0.85 -0.95 0.00 0.00 178.83 177.96 3kfb n GLU 133 N -4.08 0.22 0.06 1.46 0.28 -1.11 -2.88 120.64 114.59 3kfb n GLU 133 Ca -0.05 0.12 -0.04 0.00 -0.16 0.00 0.00 57.16 57.03 3kfb n GLU 133 Cb 0.61 -1.70 -0.09 0.00 1.43 0.00 0.00 31.44 31.70 3kfb n GLU 133 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3kfb h LEU 134 N 0.00 0.00 -0.66 -1.84 3.38 -1.12 -3.33 115.31 111.74 3kfb h LEU 134 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kfb h LEU 134 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3kfb h LEU 134 CO 0.00 0.84 -0.39 -0.07 0.09 0.00 0.00 178.44 178.91 3kfb h LEU 135 N 0.00 0.00 -0.62 1.67 3.38 -1.28 -3.10 115.31 115.36 3kfb h LEU 135 Ca -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3kfb h LEU 135 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 3kfb h LEU 135 CO 0.10 0.39 -0.47 0.11 0.09 0.00 0.00 178.44 178.66 3kfb h LYS 136 N 0.00 0.53 -0.00 1.13 1.57 -1.64 -2.75 116.57 115.42 3kfb h LYS 136 Ca -0.00 -0.30 -0.19 0.00 -1.87 0.00 0.00 60.65 58.29 3kfb h LYS 136 Cb 1.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3kfb h LYS 136 CO 0.05 0.89 -0.86 1.79 -0.57 0.00 0.00 179.45 180.76 3kfb h THR 137 N 0.43 1.49 -0.20 -0.16 1.35 -1.67 -3.25 112.91 110.90 3kfb h THR 137 Ca 0.02 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 3kfb h THR 137 Cb 0.98 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 3kfb h THR 137 CO 0.09 0.75 0.00 2.30 -0.25 0.00 0.00 175.52 178.41 3kfb n ILE 138 N -3.66 0.25 -3.06 6.82 -5.35 -1.18 -4.86 119.36 108.32 3kfb n ILE 138 Ca -0.03 -0.44 -0.40 0.00 -0.27 0.00 0.00 62.75 61.60 3kfb n ILE 138 Cb 0.79 0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 39.24 3kfb n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kfb s ALA 139 N -1.75 3.51 0.36 -1.28 0.00 -1.04 -4.86 121.76 116.69 3kfb s ALA 139 Ca 0.34 -0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 3kfb s ALA 139 Cb 0.19 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 3kfb s ALA 139 CO 0.28 -0.50 1.19 0.00 0.00 0.00 0.00 175.76 176.73 3kfb s GLU 141 N -2.02 4.34 -0.01 0.00 0.41 -1.26 -1.37 118.70 118.79 3kfb s GLU 141 Ca 0.53 0.59 0.02 0.00 -0.41 0.00 0.00 54.97 55.70 3kfb s GLU 141 Cb -0.33 -3.47 -0.00 0.00 -1.78 0.00 0.00 34.13 28.55 3kfb s GLU 141 CO 0.42 0.06 -0.08 0.08 -0.49 0.00 0.00 175.26 175.25 3kfb s VAL 142 N 0.92 0.67 0.30 2.63 1.01 0.37 -4.98 120.40 121.31 3kfb s VAL 142 Ca 0.29 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 3kfb s VAL 142 Cb -0.16 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 3kfb s VAL 142 CO 0.12 0.20 1.18 -0.83 0.00 0.00 0.00 175.10 175.77 3kfb s GLY 143 N -0.01 3.03 0.10 4.51 0.00 -1.26 -4.52 107.32 109.18 3kfb s GLY 143 Ca 0.00 1.03 0.07 0.00 0.00 0.00 0.00 44.72 45.82 3kfb s GLY 143 CO -0.00 1.66 1.21 0.00 0.00 0.00 0.00 173.10 175.97 3kfb n ALA 144 N 1.08 1.02 -1.40 3.20 0.00 -1.26 -2.04 120.51 121.10 3kfb n ALA 144 Ca -0.01 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.57 3kfb n ALA 144 Cb 0.44 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 18.93 3kfb n ALA 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kfb n GLN 145 N -1.74 1.23 -2.58 0.00 6.02 -1.26 -4.70 117.38 114.36 3kfb n GLN 145 Ca -0.00 -2.70 -0.42 0.00 -0.01 0.00 0.00 57.00 53.86 3kfb n GLN 145 Cb 0.01 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 3kfb n GLN 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kfb s ASP 146 N -2.83 6.74 0.39 1.08 3.68 -0.87 -4.85 116.67 120.01 3kfb s ASP 146 Ca 0.32 -2.14 0.05 0.00 2.13 0.00 0.00 52.55 52.91 3kfb s ASP 146 Cb 0.30 -2.58 0.77 0.00 -1.45 0.00 0.00 42.92 39.96 3kfb s ASP 146 CO -0.02 -1.27 2.03 0.11 0.13 0.00 0.00 175.17 176.15 3kfb h LYS 147 N 8.26 0.65 -0.10 4.34 1.57 -1.92 0.13 116.57 129.50 3kfb h LYS 147 Ca 0.37 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.02 3kfb h LYS 147 Cb 0.91 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3kfb h LYS 147 CO 1.45 0.44 -0.33 1.05 -0.57 0.00 0.00 179.45 181.48 3kfb h GLU 148 N 0.66 0.20 0.24 3.15 4.11 -1.99 -0.51 114.58 120.44 3kfb h GLU 148 Ca 0.18 -0.08 -0.34 0.00 0.07 0.00 0.00 59.36 59.19 3kfb h GLU 148 Cb -0.06 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.21 3kfb h GLU 148 CO -0.04 0.52 -1.56 0.82 0.07 0.00 0.00 179.01 178.82 3kfb h ILE 149 N 0.17 1.18 -0.48 -1.06 2.04 -1.26 -2.87 117.51 115.23 3kfb h ILE 149 Ca 0.02 -2.64 -0.00 0.00 1.00 0.00 0.00 64.86 63.24 3kfb h ILE 149 Cb 0.68 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.70 3kfb h ILE 149 CO 0.05 0.82 0.30 -0.07 0.00 0.00 0.00 178.15 179.25 3kfb h LEU 150 N 0.12 0.57 -0.53 1.44 3.38 -0.88 -1.41 115.31 118.00 3kfb h LEU 150 Ca -0.28 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 3kfb h LEU 150 Cb 2.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 3kfb h LEU 150 CO 0.25 0.43 -0.49 0.74 0.09 0.00 0.00 178.44 179.46 3kfb h THR 151 N 0.66 1.31 -0.56 0.22 2.02 -1.13 -0.99 112.91 114.44 3kfb h THR 151 Ca 0.18 -1.70 -0.06 0.00 0.77 0.00 0.00 66.41 65.60 3kfb h THR 151 Cb -0.04 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3kfb h THR 151 CO -0.03 0.54 0.12 0.11 0.37 0.00 0.00 175.52 176.63 3kfb h LYS 152 N 0.49 0.88 -0.47 6.66 1.57 -1.23 0.31 116.57 124.78 3kfb h LYS 152 Ca 0.02 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 3kfb h LYS 152 Cb 1.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3kfb h LYS 152 CO 0.10 0.80 -0.23 0.82 -0.57 0.00 0.00 179.45 180.36 3kfb h ILE 153 N 0.84 1.27 -0.18 1.86 2.04 -1.00 -0.51 117.51 121.83 3kfb h ILE 153 Ca 0.18 -1.40 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 3kfb h ILE 153 Cb 0.33 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3kfb h ILE 153 CO 0.00 0.48 -0.35 0.00 0.00 0.00 0.00 178.15 178.28 3kfb h ALA 154 N 0.88 1.06 -0.02 1.87 0.00 -1.12 -2.86 119.26 119.07 3kfb h ALA 154 Ca 0.10 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3kfb h ALA 154 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kfb h ALA 154 CO 0.07 0.59 -0.82 1.98 0.00 0.00 0.00 179.25 181.07 3kfb h MET 155 N 0.33 0.27 0.00 0.00 1.85 -0.65 -2.76 114.93 113.96 3kfb h MET 155 Ca 0.04 -0.26 -0.06 0.00 -0.61 0.00 0.00 59.70 58.81 3kfb h MET 155 Cb 0.78 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.87 3kfb h MET 155 CO 0.06 0.95 -0.27 1.15 -0.40 0.00 0.00 176.91 178.40 3kfb h THR 156 N 0.16 0.57 0.13 -0.77 2.02 -1.10 -2.70 112.91 111.23 3kfb h THR 156 Ca -0.04 -1.36 -0.24 0.00 0.77 0.00 0.00 66.41 65.54 3kfb h THR 156 Cb 1.42 1.94 0.03 0.00 -1.74 0.00 0.00 68.15 69.79 3kfb h THR 156 CO 0.13 0.26 -1.02 -1.28 0.37 0.00 0.00 175.52 173.99 3kfb h SER 157 N 0.00 0.67 -0.48 4.18 0.87 -1.41 -3.34 113.55 114.05 3kfb h SER 157 Ca -0.00 -0.88 -0.06 0.00 -1.23 0.00 0.00 61.79 59.62 3kfb h SER 157 Cb 0.91 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 3kfb h SER 157 CO 0.03 1.48 0.06 0.40 -0.53 0.00 0.00 176.83 178.27 3kfb h ILE 158 N -0.05 1.25 -4.03 2.23 2.04 -1.50 -3.39 117.51 114.06 3kfb h ILE 158 Ca -0.16 -0.96 -0.52 0.00 1.00 0.00 0.00 64.86 64.21 3kfb h ILE 158 Cb 1.76 0.94 0.10 0.00 -0.74 0.00 0.00 36.82 38.88 3kfb h ILE 158 CO 0.19 0.34 0.53 -0.89 0.00 0.00 0.00 178.15 178.32 3kfb s THR 159 N -5.14 2.67 0.00 -0.27 2.01 -1.02 -2.50 115.64 111.39 3kfb s THR 159 Ca -0.13 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.37 3kfb s THR 159 Cb 0.11 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.38 3kfb s THR 159 CO 0.80 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 3kfb n GLY 160 N 0.55 2.63 0.05 4.40 0.00 -1.26 -4.61 105.19 106.95 3kfb n GLY 160 Ca 0.09 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.78 3kfb n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kfb n LYS 161 N 0.00 0.24 0.00 1.61 5.02 -1.04 -4.21 118.16 119.77 3kfb n LYS 161 Ca 0.00 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3kfb n LYS 161 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3kfb n LYS 161 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfb n GLY 162 N 1.43 4.51 0.25 0.72 0.00 -1.22 -4.88 105.19 106.00 3kfb n GLY 162 Ca 0.09 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 45.03 3kfb n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb h ALA 163 N 0.00 1.65 0.00 4.61 0.00 -1.86 -2.96 119.26 120.69 3kfb h ALA 163 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kfb h ALA 163 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kfb h ALA 163 CO 0.00 0.14 -0.11 1.05 0.00 0.00 0.00 179.25 180.33 3kfb h GLU 164 N 0.00 0.00 0.00 0.00 9.09 -1.94 -2.70 114.58 119.03 3kfb h GLU 164 Ca -0.00 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.24 3kfb h GLU 164 Cb 0.23 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.30 3kfb h GLU 164 CO 0.02 0.11 -0.80 0.87 0.05 0.00 0.00 179.01 179.26 3kfb h LYS 165 N 0.00 0.00 -4.23 1.06 1.57 -1.84 -3.41 116.57 109.72 3kfb h LYS 165 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3kfb h LYS 165 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3kfb h LYS 165 CO 0.01 0.80 2.75 0.00 -0.57 0.00 0.00 179.45 182.44 3kfb n ALA 166 N -2.32 4.52 -2.22 3.86 0.00 -1.02 -4.94 120.51 118.39 3kfb n ALA 166 Ca 0.00 -3.62 -0.39 0.00 0.00 0.00 0.00 53.44 49.43 3kfb n ALA 166 Cb 0.83 -3.59 -0.06 0.00 0.00 0.00 0.00 19.45 16.64 3kfb n ALA 166 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kfb s LYS 167 N 4.03 4.27 0.17 0.00 2.20 -1.26 -4.98 119.74 124.16 3kfb s LYS 167 Ca 0.52 0.81 -0.16 0.00 -0.36 0.00 0.00 55.97 56.78 3kfb s LYS 167 Cb 0.14 -3.23 0.12 0.00 -1.51 0.00 0.00 37.83 33.35 3kfb s LYS 167 CO 0.01 0.62 1.67 0.93 -0.36 0.00 0.00 175.35 178.22 3kfb h GLU 168 N 4.46 0.03 0.00 4.03 4.39 -1.99 -2.69 114.58 122.82 3kfb h GLU 168 Ca -0.49 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3kfb h GLU 168 Cb 1.21 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3kfb h GLU 168 CO 0.64 0.02 0.00 0.87 -1.16 0.00 0.00 179.01 179.38 3kfb h LYS 169 N 0.03 0.00 0.19 2.33 1.57 -2.00 -2.73 116.57 115.97 3kfb h LYS 169 Ca 0.21 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.69 3kfb h LYS 169 Cb 0.31 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.66 3kfb h LYS 169 CO -0.41 0.00 -1.27 1.25 -0.57 0.00 0.00 179.45 178.45 3kfb h LEU 170 N 0.00 0.79 -0.94 2.94 5.85 -1.88 -2.96 115.31 119.11 3kfb h LEU 170 Ca 0.00 -0.89 -0.03 0.00 0.84 0.00 0.00 57.88 57.80 3kfb h LEU 170 Cb 0.36 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3kfb h LEU 170 CO 0.00 1.62 0.38 0.00 -0.34 0.00 0.00 178.44 180.10 3kfb h ALA 171 N 0.19 1.17 -0.56 1.25 0.00 -1.42 -1.54 119.26 118.34 3kfb h ALA 171 Ca -0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3kfb h ALA 171 Cb 1.98 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3kfb h ALA 171 CO 0.24 0.63 0.04 0.93 0.00 0.00 0.00 179.25 181.09 3kfb h GLU 172 N 1.13 0.93 -0.63 0.00 5.08 -1.59 -1.32 114.58 118.18 3kfb h GLU 172 Ca 0.27 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3kfb h GLU 172 Cb 0.11 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3kfb h GLU 172 CO -0.03 0.90 0.28 0.82 -1.00 0.00 0.00 179.01 179.98 3kfb h ILE 173 N 0.87 1.22 -0.14 3.13 2.04 -1.32 -2.39 117.51 120.92 3kfb h ILE 173 Ca 0.17 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3kfb h ILE 173 Cb 0.46 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3kfb h ILE 173 CO 0.02 0.27 -0.04 0.40 0.00 0.00 0.00 178.15 178.80 3kfb h ILE 174 N 0.87 1.29 -0.69 -0.67 2.04 -0.96 -2.02 117.51 117.37 3kfb h ILE 174 Ca 0.21 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.13 3kfb h ILE 174 Cb 0.16 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3kfb h ILE 174 CO -0.02 0.29 0.46 0.58 0.00 0.00 0.00 178.15 179.45 3kfb h VAL 175 N -0.03 1.05 0.00 1.67 2.07 -1.26 -1.03 116.25 118.72 3kfb h VAL 175 Ca 0.04 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 3kfb h VAL 175 Cb 0.46 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3kfb h VAL 175 CO 0.01 0.14 -0.60 -0.08 0.02 0.00 0.00 177.57 177.07 3kfb h GLU 176 N 0.77 0.00 0.18 1.57 4.81 -1.21 -1.85 114.58 118.84 3kfb h GLU 176 Ca 0.29 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.21 3kfb h GLU 176 Cb 0.17 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.58 3kfb h GLU 176 CO -0.09 0.60 -1.33 0.00 -0.73 0.00 0.00 179.01 177.46 3kfb h ALA 177 N 1.40 -0.03 -0.13 2.92 0.00 -0.61 -3.12 119.26 119.69 3kfb h ALA 177 Ca -0.01 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 3kfb h ALA 177 Cb 1.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3kfb h ALA 177 CO 0.08 0.76 -0.53 0.28 0.00 0.00 0.00 179.25 179.83 3kfb h VAL 178 N 0.18 1.34 0.00 0.00 2.07 -1.22 -2.97 116.25 115.65 3kfb h VAL 178 Ca -0.20 -1.80 -0.06 0.00 0.82 0.00 0.00 66.70 65.46 3kfb h VAL 178 Cb 2.02 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 3kfb h VAL 178 CO 0.25 0.54 -0.28 0.28 0.02 0.00 0.00 177.57 178.38 3kfb h SER 179 N 0.28 0.00 0.41 0.57 0.02 -1.42 -3.20 113.55 110.22 3kfb h SER 179 Ca 0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.72 3kfb h SER 179 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3kfb h SER 179 CO 0.09 0.28 -1.01 0.00 -1.14 0.00 0.00 176.83 175.04 3kfb h ALA 180 N 1.72 0.31 -0.37 3.77 0.00 -1.45 -3.31 119.26 119.92 3kfb h ALA 180 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3kfb h ALA 180 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kfb h ALA 180 CO 0.04 0.85 0.00 1.33 0.00 0.00 0.00 179.25 181.47 3kfb n VAL 181 N -3.70 0.74 -2.34 0.00 0.24 -1.21 -4.59 118.33 107.48 3kfb n VAL 181 Ca -0.07 -0.57 -0.43 0.00 -2.04 0.00 0.00 64.34 61.23 3kfb n VAL 181 Cb 0.88 0.11 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 3kfb n VAL 181 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kfb s VAL 182 N -1.58 4.11 -0.45 3.34 1.01 -1.25 -4.45 120.40 121.13 3kfb s VAL 182 Ca 0.27 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.32 3kfb s VAL 182 Cb 0.16 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.63 3kfb s VAL 182 CO 0.16 -0.21 0.86 1.51 0.00 0.00 0.00 175.10 177.42 3kfb s ASP 183 N 2.52 6.47 -0.04 3.32 -4.77 -0.89 -4.94 116.67 118.34 3kfb s ASP 183 Ca 0.59 0.05 -0.30 0.00 -3.30 0.00 0.00 52.55 49.59 3kfb s ASP 183 Cb -0.23 -2.42 -0.04 0.00 -1.09 0.00 0.00 42.92 39.15 3kfb s ASP 183 CO 0.19 -0.97 1.25 -1.81 0.70 0.00 0.00 175.17 174.53 3kfb s ASP 184 N 2.17 7.01 -0.07 2.11 1.01 -1.26 -1.45 116.67 126.19 3kfb s ASP 184 Ca 0.34 1.88 0.02 0.00 0.71 0.00 0.00 52.55 55.49 3kfb s ASP 184 Cb -0.11 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 3kfb s ASP 184 CO 0.24 -0.61 -0.10 -1.61 0.21 0.00 0.00 175.17 173.30 3kfb s GLU 185 N 2.25 2.74 -0.06 8.23 2.02 -1.26 -5.03 118.70 127.58 3kfb s GLU 185 Ca 0.58 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.98 3kfb s GLU 185 Cb -0.26 -2.53 0.08 0.00 0.10 0.00 0.00 34.13 31.52 3kfb s GLU 185 CO 0.23 0.60 0.81 0.41 0.02 0.00 0.00 175.26 177.33 3kfb n GLY 186 N 2.39 0.40 3.94 -1.39 0.00 -0.53 -5.16 105.19 104.85 3kfb n GLY 186 Ca -0.18 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3kfb n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfb s LYS 187 N 0.02 3.15 -0.20 1.61 -0.14 -1.16 -4.70 119.74 118.32 3kfb s LYS 187 Ca 0.02 -0.31 -0.02 0.00 -1.36 0.00 0.00 55.97 54.29 3kfb s LYS 187 Cb 0.09 -2.50 -0.00 0.00 -1.68 0.00 0.00 37.83 33.73 3kfb s LYS 187 CO -0.02 -0.28 -0.09 0.08 -0.76 0.00 0.00 175.35 174.28 3kfb s VAL 188 N -2.62 3.05 -0.33 3.17 1.01 -1.26 -2.09 120.40 121.34 3kfb s VAL 188 Ca 0.48 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 3kfb s VAL 188 Cb -0.10 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3kfb s VAL 188 CO 0.40 0.46 0.50 -0.62 0.00 0.00 0.00 175.10 175.84 3kfb s ASP 189 N 1.29 6.33 0.53 3.32 3.68 -1.26 -4.94 116.67 125.62 3kfb s ASP 189 Ca 0.04 0.09 0.30 0.00 2.13 0.00 0.00 52.55 55.11 3kfb s ASP 189 Cb -0.14 -2.26 1.48 0.00 -1.45 0.00 0.00 42.92 40.54 3kfb s ASP 189 CO -0.04 -0.42 2.06 0.11 0.13 0.00 0.00 175.17 177.00 3kfb h LYS 190 N 8.36 0.00 0.00 4.34 6.56 -1.96 -2.59 116.57 131.27 3kfb h LYS 190 Ca -0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 3kfb h LYS 190 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 3kfb h LYS 190 CO 0.75 0.10 0.00 -0.25 -2.06 0.00 0.00 179.45 177.99 3kfb n ASP 191 N -3.43 0.00 0.16 0.86 8.00 -1.26 -3.12 116.55 117.76 3kfb n ASP 191 Ca -0.01 0.37 0.11 0.00 0.71 0.00 0.00 54.79 55.97 3kfb n ASP 191 Cb 0.26 -0.45 0.08 0.00 -0.02 0.00 0.00 41.12 40.98 3kfb n ASP 191 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kfb h LEU 192 N 0.00 0.00 -8.03 0.64 3.38 -1.82 -3.40 115.31 106.08 3kfb h LEU 192 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 3kfb h LEU 192 Cb 0.42 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.94 3kfb h LEU 192 CO 0.00 0.05 0.09 -0.63 0.09 0.00 0.00 178.44 178.04 3kfb s ILE 193 N -3.25 5.15 -0.08 1.22 1.01 -1.18 -1.94 121.20 122.13 3kfb s ILE 193 Ca 0.03 -1.63 -0.30 0.00 0.00 0.00 0.00 60.65 58.75 3kfb s ILE 193 Cb 0.07 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 3kfb s ILE 193 CO 0.73 -1.07 1.30 -0.75 0.00 0.00 0.00 174.94 175.16 3kfb s LYS 194 N 1.64 4.28 -0.29 2.79 2.20 0.14 -4.86 119.74 125.64 3kfb s LYS 194 Ca 0.13 1.77 -0.09 0.00 -0.36 0.00 0.00 55.97 57.42 3kfb s LYS 194 Cb -0.20 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 3kfb s LYS 194 CO -0.01 -0.59 0.13 0.42 -0.36 0.00 0.00 175.35 174.94 3kfb s ILE 195 N 2.82 4.57 -0.09 5.43 1.01 -1.26 -0.07 121.20 133.61 3kfb s ILE 195 Ca 0.59 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.93 3kfb s ILE 195 Cb -0.26 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3kfb s ILE 195 CO 0.21 0.15 -0.11 -0.70 0.00 0.00 0.00 174.94 174.48 3kfb s GLU 196 N 1.62 2.91 -0.33 2.79 2.56 -0.44 -4.98 118.70 122.84 3kfb s GLU 196 Ca 0.05 -0.65 0.02 0.00 0.00 0.00 0.00 54.97 54.39 3kfb s GLU 196 Cb -0.16 -2.54 0.08 0.00 2.00 0.00 0.00 34.13 33.51 3kfb s GLU 196 CO 0.06 0.48 0.03 0.15 -0.56 0.00 0.00 175.26 175.42 3kfb s LYS 197 N -0.34 1.89 0.16 4.30 1.02 -1.26 -0.55 119.74 124.96 3kfb s LYS 197 Ca 0.04 -1.65 0.09 0.00 0.02 0.00 0.00 55.97 54.46 3kfb s LYS 197 Cb -0.13 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 3kfb s LYS 197 CO 0.02 -0.83 -0.19 0.15 -0.92 0.00 0.00 175.35 173.59 3kfb s LYS 198 N 1.04 1.28 0.00 1.68 -0.14 -1.10 -5.03 119.74 117.47 3kfb s LYS 198 Ca 0.03 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.25 3kfb s LYS 198 Cb -0.20 -1.40 0.00 0.00 -1.68 0.00 0.00 37.83 34.55 3kfb s LYS 198 CO -0.06 0.29 0.00 -1.13 -0.76 0.00 0.00 175.35 173.70 3kfb n SER 199 N 0.39 0.00 0.00 2.83 3.41 -1.26 -3.61 113.62 115.38 3kfb n SER 199 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3kfb n SER 199 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3kfb n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kfb n GLY 200 N 2.64 1.37 3.39 5.00 0.00 -1.23 -3.83 105.19 112.53 3kfb n GLY 200 Ca 0.00 -2.01 -0.45 0.00 0.00 0.00 0.00 46.02 43.55 3kfb n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb s ALA 201 N -1.97 3.79 0.00 4.61 0.00 -1.26 -3.33 121.76 123.61 3kfb s ALA 201 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 51.96 48.85 3kfb s ALA 201 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3kfb s ALA 201 CO 0.00 -2.63 0.00 0.45 0.00 0.00 0.00 175.76 173.58 3kfb n SER 202 N 5.16 0.00 0.00 0.00 2.88 -1.26 -4.79 113.62 115.62 3kfb n SER 202 Ca 0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 3kfb n SER 202 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3kfb n SER 202 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kfb n ILE 203 N 0.00 0.00 0.73 2.46 5.41 -0.57 -4.40 119.36 122.99 3kfb n ILE 203 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3kfb n ILE 203 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 3kfb n ILE 203 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kfb n ASP 204 N 0.14 0.83 -1.19 4.38 8.00 -1.26 -4.18 116.55 123.27 3kfb n ASP 204 Ca 0.00 -0.78 0.07 0.00 0.71 0.00 0.00 54.79 54.79 3kfb n ASP 204 Cb 0.00 1.15 0.26 0.00 -0.02 0.00 0.00 41.12 42.51 3kfb n ASP 204 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kfb n ASP 205 N -1.57 3.47 -4.68 -2.24 9.92 -1.26 -4.87 116.55 115.32 3kfb n ASP 205 Ca 0.02 -2.27 -0.43 0.00 -0.53 0.00 0.00 54.79 51.59 3kfb n ASP 205 Cb 0.33 -0.47 -0.02 0.00 -0.64 0.00 0.00 41.12 40.32 3kfb n ASP 205 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3kfb s THR 206 N -1.68 4.23 0.20 -3.53 -4.23 -1.26 -4.66 115.64 104.71 3kfb s THR 206 Ca 0.37 1.54 0.10 0.00 -1.18 0.00 0.00 61.69 62.52 3kfb s THR 206 Cb 0.23 -3.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 3kfb s THR 206 CO 0.19 -0.05 -0.20 -1.83 -0.54 0.00 0.00 174.62 172.19 3kfb s GLU 207 N 2.70 1.43 -0.27 3.99 -1.05 -0.99 -4.98 118.70 119.53 3kfb s GLU 207 Ca 0.56 -1.52 -0.20 0.00 -0.15 0.00 0.00 54.97 53.65 3kfb s GLU 207 Cb -0.24 -1.56 -0.02 0.00 -0.44 0.00 0.00 34.13 31.88 3kfb s GLU 207 CO 0.20 0.32 0.64 -1.17 0.95 0.00 0.00 175.26 176.19 3kfb s LEU 208 N -2.86 4.08 -0.29 1.83 2.96 -1.26 -1.55 118.68 121.58 3kfb s LEU 208 Ca 0.20 0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 54.65 3kfb s LEU 208 Cb -0.06 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 3kfb s LEU 208 CO 0.09 -0.40 0.19 -0.63 -1.32 0.00 0.00 176.35 174.28 3kfb s ILE 209 N 2.54 5.20 -1.38 6.68 1.01 0.33 -4.99 121.20 130.61 3kfb s ILE 209 Ca 0.26 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 3kfb s ILE 209 Cb -0.15 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 38.89 3kfb s ILE 209 CO 0.09 0.20 2.04 0.29 0.00 0.00 0.00 174.94 177.56 3kfb n LYS 210 N 5.06 3.16 -0.52 2.79 5.02 -1.26 -1.55 118.16 130.85 3kfb n LYS 210 Ca -0.14 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 3kfb n LYS 210 Cb 0.51 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 3kfb n LYS 210 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfb n GLY 211 N 3.77 -0.76 3.18 0.72 0.00 -1.26 -1.76 105.19 109.08 3kfb n GLY 211 Ca 0.47 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 3kfb n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfb s VAL 212 N -3.83 1.09 -0.27 1.61 1.01 -0.33 -2.89 120.40 116.79 3kfb s VAL 212 Ca 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 61.98 60.48 3kfb s VAL 212 Cb 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 35.18 3kfb s VAL 212 CO 0.00 -0.37 -0.04 -0.22 0.00 0.00 0.00 175.10 174.48 3kfb s LEU 213 N -2.10 3.52 -0.24 3.92 2.96 -1.26 -2.19 118.68 123.29 3kfb s LEU 213 Ca 0.02 -1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 52.74 3kfb s LEU 213 Cb -0.07 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 3kfb s LEU 213 CO 0.02 -0.19 0.24 -0.69 -1.32 0.00 0.00 176.35 174.41 3kfb s VAL 214 N 1.28 5.29 -0.11 1.68 1.01 -0.83 -4.98 120.40 123.75 3kfb s VAL 214 Ca -0.03 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 3kfb s VAL 214 Cb -0.18 -3.58 -0.17 0.00 0.00 0.00 0.00 36.38 32.45 3kfb s VAL 214 CO -0.03 0.28 2.61 -0.67 0.00 0.00 0.00 175.10 177.30 3kfb n ASP 215 N 4.63 3.82 -4.21 3.32 2.03 -1.26 -2.07 116.55 122.81 3kfb n ASP 215 Ca -0.13 -2.19 -0.12 0.00 0.52 0.00 0.00 54.79 52.87 3kfb n ASP 215 Cb 0.52 -1.00 -0.10 0.00 -0.72 0.00 0.00 41.12 39.82 3kfb n ASP 215 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3kfb s LYS 216 N 1.77 1.07 0.49 -0.67 2.36 -1.26 -5.01 119.74 118.48 3kfb s LYS 216 Ca 0.46 -1.52 0.05 0.00 -2.55 0.00 0.00 55.97 52.40 3kfb s LYS 216 Cb 0.21 -0.05 -0.01 0.00 -1.05 0.00 0.00 37.83 36.93 3kfb s LYS 216 CO -0.00 -0.21 0.17 -1.21 1.55 0.00 0.00 175.35 175.65 3kfb s GLU 217 N -3.99 2.20 0.21 4.03 2.02 -1.26 -3.16 118.70 118.75 3kfb s GLU 217 Ca 0.26 -2.11 -0.30 0.00 0.02 0.00 0.00 54.97 52.83 3kfb s GLU 217 Cb 0.07 -1.83 -0.10 0.00 0.10 0.00 0.00 34.13 32.37 3kfb s GLU 217 CO 0.04 -0.34 1.44 -0.98 0.02 0.00 0.00 175.26 175.44 3kfb s ARG 218 N -3.99 4.28 0.39 1.61 1.70 -1.26 -4.64 118.95 117.04 3kfb s ARG 218 Ca 0.26 2.24 0.08 0.00 -0.47 0.00 0.00 55.73 57.85 3kfb s ARG 218 Cb 0.02 -3.15 0.80 0.00 -0.57 0.00 0.00 34.95 32.04 3kfb s ARG 218 CO 0.15 -0.43 1.95 -0.24 -1.08 0.00 0.00 175.30 175.65 3kfb h VAL 219 N 3.76 1.15 -4.17 4.99 3.04 -1.36 -3.41 116.25 120.25 3kfb h VAL 219 Ca -0.45 -0.61 -0.59 0.00 -1.01 0.00 0.00 66.70 64.04 3kfb h VAL 219 Cb 1.21 1.01 -0.30 0.00 -2.01 0.00 0.00 31.29 31.20 3kfb h VAL 219 CO 0.81 0.20 -0.85 -0.55 -1.01 0.00 0.00 177.57 176.18 3kfb s SER 220 N -6.83 2.36 0.50 3.17 0.15 -1.26 -5.02 113.70 106.77 3kfb s SER 220 Ca -0.06 -0.38 0.33 0.00 0.70 0.00 0.00 55.95 56.54 3kfb s SER 220 Cb 0.16 -0.45 1.53 0.00 -1.71 0.00 0.00 66.02 65.54 3kfb s SER 220 CO 0.73 0.21 2.00 0.00 1.20 0.00 0.00 173.24 177.38 3kfb h ALA 221 N 5.92 1.00 0.00 5.45 0.00 -1.99 -2.49 119.26 127.14 3kfb h ALA 221 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kfb h ALA 221 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kfb h ALA 221 CO 0.48 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.67 3kfb n GLN 222 N -2.84 0.20 -2.78 0.00 7.27 -1.26 -4.83 117.38 113.15 3kfb n GLN 222 Ca -0.00 0.27 -0.33 0.00 0.07 0.00 0.00 57.00 57.00 3kfb n GLN 222 Cb 0.21 -1.78 -0.07 0.00 2.41 0.00 0.00 30.24 31.01 3kfb n GLN 222 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3kfb s MET 223 N -3.16 4.20 0.93 3.69 -1.94 -0.94 -4.98 119.30 117.10 3kfb s MET 223 Ca 0.09 1.10 -0.10 0.00 -1.71 0.00 0.00 55.69 55.06 3kfb s MET 223 Cb 0.12 -2.18 0.15 0.00 2.01 0.00 0.00 34.83 34.93 3kfb s MET 223 CO 0.51 -0.06 1.09 -2.30 -0.01 0.00 0.00 175.02 174.25 3kfb n PRO 224 N -0.74 -0.52 0.00 2.03 -0.02 -1.26 -4.96 135.00 129.52 3kfb n PRO 224 Ca 0.07 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3kfb n PRO 224 Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3kfb n PRO 224 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kfb n LYS 225 N -4.09 -0.05 -3.61 -0.52 4.81 -1.26 -4.86 118.16 108.59 3kfb n LYS 225 Ca 0.11 -0.41 -0.06 0.00 -0.87 0.00 0.00 58.31 57.08 3kfb n LYS 225 Cb 0.52 -0.91 -0.08 0.00 0.02 0.00 0.00 35.03 34.58 3kfb n LYS 225 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kfb s LYS 226 N -0.11 0.39 -0.08 1.64 2.20 -1.26 -1.45 119.74 121.07 3kfb s LYS 226 Ca 0.00 1.08 0.03 0.00 -0.36 0.00 0.00 55.97 56.72 3kfb s LYS 226 Cb 0.00 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.72 3kfb s LYS 226 CO 0.00 -0.29 -0.16 0.08 -0.36 0.00 0.00 175.35 174.62 3kfb s VAL 227 N 2.68 1.44 -0.02 4.02 1.01 -0.11 -5.02 120.40 124.41 3kfb s VAL 227 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3kfb s VAL 227 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 3kfb s VAL 227 CO -0.15 0.42 0.10 0.42 0.00 0.00 0.00 175.10 175.89 3kfb s THR 228 N 0.65 4.86 -1.34 3.92 -4.23 -1.26 -1.70 115.64 116.54 3kfb s THR 228 Ca -0.14 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.88 3kfb s THR 228 Cb -0.16 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.47 3kfb s THR 228 CO 0.04 0.37 0.44 0.47 -0.54 0.00 0.00 174.62 175.41 3kfb n ASP 229 N 1.23 -2.02 -4.81 3.99 8.00 -0.54 -4.91 116.55 117.50 3kfb n ASP 229 Ca -0.13 -1.19 -0.36 0.00 0.71 0.00 0.00 54.79 53.81 3kfb n ASP 229 Cb 0.53 -2.18 -0.06 0.00 -0.02 0.00 0.00 41.12 39.39 3kfb n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kfb s ALA 230 N -3.86 3.36 -0.30 2.24 0.00 -0.78 -4.93 121.76 117.47 3kfb s ALA 230 Ca 0.25 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 3kfb s ALA 230 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 3kfb s ALA 230 CO 0.95 0.29 0.21 0.15 0.00 0.00 0.00 175.76 177.35 3kfb s LYS 231 N -2.01 3.77 -0.21 0.00 3.01 -1.26 -2.92 119.74 120.11 3kfb s LYS 231 Ca 0.45 -0.45 -0.08 0.00 -1.01 0.00 0.00 55.97 54.88 3kfb s LYS 231 Cb -0.17 -3.71 -0.04 0.00 -1.01 0.00 0.00 37.83 32.89 3kfb s LYS 231 CO 0.22 -0.29 0.09 0.42 0.51 0.00 0.00 175.35 176.30 3kfb s ILE 232 N 1.74 4.87 -0.11 2.17 1.01 -0.28 -1.97 121.20 128.63 3kfb s ILE 232 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 3kfb s ILE 232 Cb -0.17 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 3kfb s ILE 232 CO 0.11 0.40 -0.01 0.00 0.00 0.00 0.00 174.94 175.44 3kfb s ALA 233 N 0.84 3.20 -0.19 9.38 0.00 -0.24 0.10 121.76 134.85 3kfb s ALA 233 Ca 0.05 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3kfb s ALA 233 Cb -0.13 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3kfb s ALA 233 CO 0.02 0.44 -0.08 -0.51 0.00 0.00 0.00 175.76 175.64 3kfb s LEU 234 N -0.41 2.79 -0.15 0.00 1.02 -1.26 -1.92 118.68 118.75 3kfb s LEU 234 Ca 0.07 -0.38 0.02 0.00 0.02 0.00 0.00 54.13 53.86 3kfb s LEU 234 Cb -0.12 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.42 3kfb s LEU 234 CO 0.02 0.04 -0.21 -0.76 0.02 0.00 0.00 176.35 175.46 3kfb s LEU 235 N 1.09 2.08 0.08 1.79 1.43 -0.86 -2.01 118.68 122.28 3kfb s LEU 235 Ca 0.01 -0.60 0.24 0.00 -1.03 0.00 0.00 54.13 52.75 3kfb s LEU 235 Cb -0.15 -1.43 0.37 0.00 0.03 0.00 0.00 46.19 45.02 3kfb s LEU 235 CO -0.02 0.06 1.32 -3.20 0.23 0.00 0.00 176.35 174.75 3kfb n ASN 236 N 4.19 0.63 -4.84 2.29 5.15 -0.36 -0.99 115.26 121.33 3kfb n ASN 236 Ca -0.20 0.01 -0.32 0.00 -0.60 0.00 0.00 54.58 53.46 3kfb n ASN 236 Cb 0.51 0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.95 3kfb n ASN 236 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kfb s ALA 238 N -2.48 3.48 -1.21 0.00 0.00 -1.26 -4.40 121.76 115.89 3kfb s ALA 238 Ca 0.59 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 3kfb s ALA 238 Cb -0.10 -2.90 -0.13 0.00 0.00 0.00 0.00 23.12 19.99 3kfb s ALA 238 CO 0.26 -0.32 3.11 -0.89 0.00 0.00 0.00 175.76 177.92 3kfb n ILE 239 N 4.24 3.95 -4.21 0.00 5.41 -1.01 -4.83 119.36 122.92 3kfb n ILE 239 Ca -0.02 -2.28 -0.10 0.00 1.00 0.00 0.00 62.75 61.34 3kfb n ILE 239 Cb 0.50 -2.45 -0.02 0.00 -0.71 0.00 0.00 39.64 36.96 3kfb n ILE 239 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kfb n GLU 240 N 3.32 1.11 -2.45 0.38 1.02 -1.26 -2.08 120.64 120.70 3kfb n GLU 240 Ca 0.69 -1.24 -0.41 0.00 -0.02 0.00 0.00 57.16 56.18 3kfb n GLU 240 Cb 0.40 0.53 -0.04 0.00 -0.02 0.00 0.00 31.44 32.31 3kfb n GLU 240 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kfb s ILE 241 N -1.90 3.65 -0.68 -3.67 -1.09 -1.26 -4.97 121.20 111.28 3kfb s ILE 241 Ca 0.04 1.46 -0.23 0.00 -2.23 0.00 0.00 60.65 59.70 3kfb s ILE 241 Cb 0.00 -3.93 0.07 0.00 -1.58 0.00 0.00 42.46 37.02 3kfb s ILE 241 CO 0.03 0.27 0.99 -0.54 -1.23 0.00 0.00 174.94 174.46 3kfb s LYS 242 N -0.60 3.13 0.15 2.79 1.02 -1.26 -5.02 119.74 119.96 3kfb s LYS 242 Ca 0.49 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 3kfb s LYS 242 Cb -0.31 -4.26 -0.07 0.00 -0.52 0.00 0.00 37.83 32.67 3kfb s LYS 242 CO 0.37 -1.84 0.97 -1.21 -0.92 0.00 0.00 175.35 172.72 3kfb s GLU 243 N 4.11 4.73 0.54 1.68 2.02 -1.26 -5.03 118.70 125.50 3kfb s GLU 243 Ca 0.23 1.48 -0.20 0.00 0.02 0.00 0.00 54.97 56.50 3kfb s GLU 243 Cb -0.16 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.67 3kfb s GLU 243 CO 0.10 0.28 1.19 0.95 0.02 0.00 0.00 175.26 177.79 3kfb s THR 244 N -0.33 2.86 0.01 3.63 -4.23 -1.26 -4.99 115.64 111.33 3kfb s THR 244 Ca 0.46 0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 61.30 3kfb s THR 244 Cb -0.24 -3.25 -0.18 0.00 1.34 0.00 0.00 72.50 70.16 3kfb s THR 244 CO 0.31 -0.08 1.34 -0.33 -0.54 0.00 0.00 174.62 175.31 3kfb h GLU 245 N 1.31 0.10 -6.26 3.99 4.39 -2.03 -3.41 114.58 112.67 3kfb h GLU 245 Ca -0.50 -0.04 -0.55 0.00 0.34 0.00 0.00 59.36 58.61 3kfb h GLU 245 Cb 1.27 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 3kfb h GLU 245 CO 0.57 0.50 1.07 0.95 -1.16 0.00 0.00 179.01 180.95 3kfb s THR 246 N -4.47 3.61 0.12 1.13 -4.23 -1.26 -4.91 115.64 105.64 3kfb s THR 246 Ca -0.15 0.75 -0.35 0.00 -1.18 0.00 0.00 61.69 60.75 3kfb s THR 246 Cb 0.03 -3.48 -0.16 0.00 1.34 0.00 0.00 72.50 70.23 3kfb s THR 246 CO 0.69 -0.06 1.33 0.47 -0.54 0.00 0.00 174.62 176.51 3kfb n ASP 247 N 7.06 1.78 -4.16 3.99 10.43 -1.26 -4.99 116.55 129.40 3kfb n ASP 247 Ca 0.17 1.12 -0.20 0.00 2.57 0.00 0.00 54.79 58.45 3kfb n ASP 247 Cb 0.43 -1.23 -0.13 0.00 1.84 0.00 0.00 41.12 42.02 3kfb n ASP 247 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kfb s ALA 248 N 0.35 1.24 0.00 2.24 0.00 -1.26 -5.11 121.76 119.21 3kfb s ALA 248 Ca 0.80 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3kfb s ALA 248 Cb -0.89 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 3kfb s ALA 248 CO 0.47 0.24 -0.01 -2.00 0.00 0.00 0.00 175.76 174.46 3kfb s GLU 249 N -1.19 0.05 0.07 0.00 2.12 -1.26 -5.05 118.70 113.44 3kfb s GLU 249 Ca 0.02 -0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.23 3kfb s GLU 249 Cb -0.08 -0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 3kfb s GLU 249 CO 0.01 0.01 0.37 0.42 -0.54 0.00 0.00 175.26 175.53 3kfb s ILE 250 N -0.05 5.15 -0.16 -3.70 1.01 -1.26 -5.09 121.20 117.10 3kfb s ILE 250 Ca -0.00 0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3kfb s ILE 250 Cb -0.00 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.87 3kfb s ILE 250 CO -0.00 0.27 -0.15 -0.13 0.00 0.00 0.00 174.94 174.92 3kfb s ARG 251 N -1.99 2.48 -0.19 2.79 1.81 -1.26 -5.12 118.95 117.47 3kfb s ARG 251 Ca 0.33 -0.68 -0.06 0.00 -1.72 0.00 0.00 55.73 53.60 3kfb s ARG 251 Cb -0.13 -2.28 -0.03 0.00 -0.45 0.00 0.00 34.95 32.05 3kfb s ARG 251 CO 0.19 -0.25 0.02 0.42 -0.68 0.00 0.00 175.30 175.00 3kfb s ILE 252 N 1.41 4.28 -0.01 1.52 1.09 -1.26 -4.94 121.20 123.30 3kfb s ILE 252 Ca 0.04 -0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.41 3kfb s ILE 252 Cb -0.13 -2.93 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 3kfb s ILE 252 CO -0.11 0.44 0.05 0.35 -0.10 0.00 0.00 174.94 175.57 3kfb n THR 253 N 3.91 0.01 -3.95 2.92 -2.24 -1.26 -4.99 114.28 108.68 3kfb n THR 253 Ca -0.17 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 3kfb n THR 253 Cb 0.52 0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 3kfb n THR 253 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kfb s ASP 254 N -2.37 5.26 0.55 3.42 3.68 -1.26 -5.00 116.67 120.95 3kfb s ASP 254 Ca -0.01 -0.09 0.24 0.00 2.13 0.00 0.00 52.55 54.82 3kfb s ASP 254 Cb 0.02 -1.92 1.46 0.00 -1.45 0.00 0.00 42.92 41.03 3kfb s ASP 254 CO 0.11 0.07 2.07 1.55 0.13 0.00 0.00 175.17 179.10 3kfb h PRO 255 N 7.44 0.00 0.00 4.34 0.13 -2.04 0.97 132.00 142.84 3kfb h PRO 255 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kfb h PRO 255 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kfb h PRO 255 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 3kfb n ALA 256 N -2.50 2.10 1.06 -0.56 0.00 -1.26 -3.05 120.51 116.29 3kfb n ALA 256 Ca 0.04 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.57 3kfb n ALA 256 Cb 0.38 -1.42 0.57 0.00 0.00 0.00 0.00 19.45 18.98 3kfb n ALA 256 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kfb n LYS 257 N -1.83 0.08 0.38 0.00 4.76 0.33 -4.03 118.16 117.85 3kfb n LYS 257 Ca 0.05 -0.01 -0.17 0.00 -2.87 0.00 0.00 58.31 55.31 3kfb n LYS 257 Cb 0.32 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.92 3kfb n LYS 257 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3kfb h LEU 258 N 0.03 -0.80 -2.66 -0.35 3.38 -1.64 -2.83 115.31 110.44 3kfb h LEU 258 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kfb h LEU 258 Cb 0.47 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3kfb h LEU 258 CO 0.00 -0.51 0.00 0.24 0.09 0.00 0.00 178.44 178.26 3kfb h MET 259 N -1.06 0.00 0.48 1.13 2.86 -1.81 -2.91 114.93 113.62 3kfb h MET 259 Ca -0.10 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3kfb h MET 259 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 3kfb h MET 259 CO 0.16 0.00 -0.23 0.93 1.06 0.00 0.00 176.91 178.83 3kfb h GLU 260 N 0.00 -0.62 -0.25 1.72 5.08 -1.64 -1.17 114.58 117.70 3kfb h GLU 260 Ca 0.00 0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3kfb h GLU 260 Cb 0.01 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kfb h GLU 260 CO -0.00 -0.38 -0.29 0.74 -1.00 0.00 0.00 179.01 178.08 3kfb h PHE 261 N -0.72 0.78 -0.25 4.33 -1.00 -1.44 -0.69 116.94 117.95 3kfb h PHE 261 Ca -0.07 -0.24 0.01 0.00 2.81 0.00 0.00 57.97 60.48 3kfb h PHE 261 Cb 0.53 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 3kfb h PHE 261 CO -0.03 0.98 0.15 0.82 -1.61 0.00 0.00 178.31 178.62 3kfb h ILE 262 N 0.36 1.04 0.00 -0.55 2.04 -1.60 0.12 117.51 118.92 3kfb h ILE 262 Ca 0.04 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3kfb h ILE 262 Cb 0.86 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3kfb h ILE 262 CO 0.07 0.06 -0.30 -0.33 0.00 0.00 0.00 178.15 177.64 3kfb h GLU 263 N 0.31 0.00 -0.01 2.37 5.08 -1.11 -1.18 114.58 120.04 3kfb h GLU 263 Ca 0.10 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.21 3kfb h GLU 263 Cb -0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kfb h GLU 263 CO -0.04 0.30 -0.99 0.37 -1.00 0.00 0.00 179.01 177.66 3kfb h GLN 264 N 0.00 0.60 -0.43 2.33 5.75 -0.87 -2.29 115.11 120.20 3kfb h GLN 264 Ca -0.00 -0.63 -0.10 0.00 -0.15 0.00 0.00 58.65 57.76 3kfb h GLN 264 Cb 0.65 0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 3kfb h GLN 264 CO 0.04 1.24 -0.14 1.49 -2.65 0.00 0.00 178.83 178.81 3kfb h GLU 265 N 0.34 0.85 0.00 1.69 4.81 -0.43 -2.70 114.58 119.14 3kfb h GLU 265 Ca -0.11 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3kfb h GLU 265 Cb 1.63 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3kfb h GLU 265 CO 0.19 0.98 0.00 -0.85 -0.73 0.00 0.00 179.01 178.59 3kfb n GLU 266 N -4.26 0.07 0.16 1.92 0.28 -0.48 -1.82 120.64 116.52 3kfb n GLU 266 Ca -0.01 0.03 0.12 0.00 -0.16 0.00 0.00 57.16 57.15 3kfb n GLU 266 Cb 0.40 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.93 3kfb n GLU 266 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3kfb h LYS 267 N 0.00 0.00 0.00 3.44 3.64 -1.10 -2.66 116.57 119.89 3kfb h LYS 267 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 3kfb h LYS 267 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3kfb h LYS 267 CO 0.00 0.00 -0.59 0.52 -2.27 0.00 0.00 179.45 177.11 3kfb h MET 268 N 0.00 0.00 0.11 1.90 2.86 -1.10 -2.21 114.93 116.49 3kfb h MET 268 Ca 0.00 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 3kfb h MET 268 Cb 0.93 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 3kfb h MET 268 CO 0.00 0.54 -1.31 -0.07 1.06 0.00 0.00 176.91 177.13 3kfb h LEU 269 N 0.00 0.38 -1.03 1.22 4.07 -1.55 -2.82 115.31 115.58 3kfb h LEU 269 Ca -0.01 -0.44 -0.05 0.00 0.08 0.00 0.00 57.88 57.46 3kfb h LEU 269 Cb 1.43 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.02 3kfb h LEU 269 CO 0.07 1.35 0.12 0.11 -1.08 0.00 0.00 178.44 179.01 3kfb h LYS 270 N 0.07 0.82 -0.45 1.13 1.57 -1.46 -2.47 116.57 115.79 3kfb h LYS 270 Ca -0.16 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.38 3kfb h LYS 270 Cb 1.97 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 34.14 3kfb h LYS 270 CO 0.19 0.75 0.01 -0.44 -0.57 0.00 0.00 179.45 179.38 3kfb h ASP 271 N 0.79 0.77 -0.50 0.86 3.45 -1.42 -1.78 116.42 118.59 3kfb h ASP 271 Ca 0.17 -0.30 -0.05 0.00 0.43 0.00 0.00 57.03 57.29 3kfb h ASP 271 Cb 0.30 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3kfb h ASP 271 CO -0.00 0.88 0.12 0.24 -1.57 0.00 0.00 179.24 178.91 3kfb h MET 272 N 0.63 0.80 -0.26 3.56 2.86 -1.33 -0.98 114.93 120.21 3kfb h MET 272 Ca 0.13 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 3kfb h MET 272 Cb 0.48 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 3kfb h MET 272 CO 0.02 0.77 -0.25 0.28 1.06 0.00 0.00 176.91 178.79 3kfb h VAL 273 N 0.68 1.27 0.00 -2.22 2.07 -1.43 -2.50 116.25 114.13 3kfb h VAL 273 Ca 0.16 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3kfb h VAL 273 Cb 0.33 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kfb h VAL 273 CO 0.00 0.41 -0.09 0.00 0.02 0.00 0.00 177.57 177.91 3kfb h ALA 274 N 1.29 0.99 0.00 1.67 0.00 -0.94 -2.56 119.26 119.71 3kfb h ALA 274 Ca 0.06 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3kfb h ALA 274 Cb 0.68 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kfb h ALA 274 CO 0.05 0.11 -0.64 0.93 0.00 0.00 0.00 179.25 179.70 3kfb h GLU 275 N 0.00 0.00 0.12 0.00 5.08 -0.86 -2.92 114.58 116.00 3kfb h GLU 275 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3kfb h GLU 275 Cb 0.72 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.98 3kfb h GLU 275 CO 0.01 0.50 -1.23 0.82 -1.00 0.00 0.00 179.01 178.11 3kfb h ILE 276 N 0.00 1.38 0.00 3.13 2.04 -1.24 -3.19 117.51 119.64 3kfb h ILE 276 Ca -0.02 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.11 3kfb h ILE 276 Cb 1.43 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 40.30 3kfb h ILE 276 CO 0.07 0.81 -0.06 0.50 0.00 0.00 0.00 178.15 179.46 3kfb h LYS 277 N 0.17 0.00 0.00 2.37 3.64 -1.53 -2.94 116.57 118.28 3kfb h LYS 277 Ca -0.16 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3kfb h LYS 277 Cb 1.91 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.73 3kfb h LYS 277 CO 0.22 0.06 -0.25 0.00 -2.27 0.00 0.00 179.45 177.21 3kfb h ALA 278 N 1.94 1.07 0.00 5.00 0.00 -1.49 -2.72 119.26 123.05 3kfb h ALA 278 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3kfb h ALA 278 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3kfb h ALA 278 CO 0.01 0.32 -0.54 0.66 0.00 0.00 0.00 179.25 179.69 3kfb h SER 279 N 0.00 0.00 0.00 0.00 4.64 -1.61 -3.47 113.55 113.10 3kfb h SER 279 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kfb h SER 279 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3kfb h SER 279 CO 0.03 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 3kfb n GLY 280 N 1.20 1.02 3.72 -0.77 0.00 -1.02 -4.59 105.19 104.75 3kfb n GLY 280 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3kfb n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb s ALA 281 N -2.00 3.23 -0.53 4.61 0.00 -1.24 -4.77 121.76 121.06 3kfb s ALA 281 Ca 0.00 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.47 3kfb s ALA 281 Cb 0.00 -3.23 0.11 0.00 0.00 0.00 0.00 23.12 20.01 3kfb s ALA 281 CO 0.00 -0.13 0.97 0.27 0.00 0.00 0.00 175.76 176.86 3kfb n ASN 282 N 3.51 2.10 -3.77 0.00 6.94 -0.83 -4.67 115.26 118.54 3kfb n ASN 282 Ca 0.03 -1.73 -0.13 0.00 -0.02 0.00 0.00 54.58 52.73 3kfb n ASN 282 Cb 0.51 -0.07 -0.14 0.00 -2.36 0.00 0.00 39.78 37.71 3kfb n ASN 282 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3kfb s VAL 283 N -0.81 -0.04 -0.06 3.53 1.01 -1.15 -1.86 120.40 121.03 3kfb s VAL 283 Ca 0.10 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3kfb s VAL 283 Cb 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.22 3kfb s VAL 283 CO 0.07 0.05 -0.05 -0.22 0.00 0.00 0.00 175.10 174.96 3kfb s LEU 284 N 0.88 1.24 -0.30 3.92 2.96 0.24 -1.08 118.68 126.54 3kfb s LEU 284 Ca -0.07 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3kfb s LEU 284 Cb -0.09 -0.53 0.07 0.00 0.50 0.00 0.00 46.19 46.15 3kfb s LEU 284 CO -0.04 -0.07 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.54 3kfb s PHE 285 N 1.12 3.39 -0.13 5.38 0.40 -0.81 -1.15 117.98 126.17 3kfb s PHE 285 Ca -0.08 -2.32 -0.06 0.00 -0.60 0.00 0.00 56.93 53.88 3kfb s PHE 285 Cb -0.14 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 3kfb s PHE 285 CO -0.01 -0.88 0.09 0.00 0.70 0.00 0.00 175.22 175.12 3kfb h GLN 287 N 5.56 0.28 0.00 0.00 4.15 -1.29 -1.59 115.11 122.22 3kfb h GLN 287 Ca -0.49 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.46 3kfb h GLN 287 Cb 1.20 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.07 3kfb h GLN 287 CO 0.62 1.19 0.00 1.63 -1.93 0.00 0.00 178.83 180.34 3kfb n LYS 288 N -3.51 2.16 -2.84 1.69 4.76 -1.26 -3.29 118.16 115.86 3kfb n LYS 288 Ca -0.12 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.02 3kfb n LYS 288 Cb 1.04 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 34.20 3kfb n LYS 288 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfb s GLY 289 N -1.25 1.92 -0.16 0.72 0.00 -1.26 -1.27 107.32 106.02 3kfb s GLY 289 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.51 3kfb s GLY 289 CO 0.00 -0.03 -0.17 -0.42 0.00 0.00 0.00 173.10 172.48 3kfb s ILE 290 N -2.39 2.44 0.62 0.90 1.01 -1.26 -2.39 121.20 120.12 3kfb s ILE 290 Ca 0.51 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 3kfb s ILE 290 Cb -0.10 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3kfb s ILE 290 CO 0.32 0.52 1.25 -0.62 0.00 0.00 0.00 174.94 176.41 3kfb s ASP 291 N 0.91 4.89 0.23 3.58 -1.08 -0.88 -4.83 116.67 119.49 3kfb s ASP 291 Ca -0.04 2.50 -0.06 0.00 -0.52 0.00 0.00 52.55 54.43 3kfb s ASP 291 Cb -0.15 -2.61 0.23 0.00 -1.46 0.00 0.00 42.92 38.93 3kfb s ASP 291 CO -0.02 -1.80 1.81 -0.78 0.52 0.00 0.00 175.17 174.90 3kfb h ASP 292 N 0.70 1.05 -0.80 -0.34 -0.00 -2.00 -2.08 116.42 112.95 3kfb h ASP 292 Ca -0.51 -0.14 0.00 0.00 -0.00 0.00 0.00 57.03 56.38 3kfb h ASP 292 Cb 1.32 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.33 40.34 3kfb h ASP 292 CO 0.54 0.91 0.51 -0.07 -0.00 0.00 0.00 179.24 181.13 3kfb h LEU 293 N 1.13 0.94 -1.23 2.28 3.38 -1.97 -2.85 115.31 116.99 3kfb h LEU 293 Ca 0.27 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3kfb h LEU 293 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kfb h LEU 293 CO -0.03 0.71 -0.29 0.00 0.09 0.00 0.00 178.44 178.92 3kfb h ALA 294 N 1.28 1.12 -0.42 1.53 0.00 -1.73 -1.70 119.26 119.34 3kfb h ALA 294 Ca 0.29 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3kfb h ALA 294 Cb -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kfb h ALA 294 CO -0.06 0.37 -0.12 1.96 0.00 0.00 0.00 179.25 181.39 3kfb h GLN 295 N 0.00 0.75 -0.48 0.00 4.20 -1.19 -1.84 115.11 116.55 3kfb h GLN 295 Ca -0.00 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 3kfb h GLN 295 Cb 0.71 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3kfb h GLN 295 CO 0.04 0.85 -0.21 1.25 -0.67 0.00 0.00 178.83 180.08 3kfb h HIS 296 N 0.68 1.12 -0.14 2.96 2.76 -1.17 -1.99 115.15 119.37 3kfb h HIS 296 Ca 0.11 -0.27 -0.20 0.00 -2.20 0.00 0.00 60.37 57.82 3kfb h HIS 296 Cb 0.60 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.30 3kfb h HIS 296 CO 0.03 1.09 -0.71 1.88 -1.30 0.00 0.00 177.93 178.92 3kfb h TYR 297 N 0.84 0.81 -0.53 5.26 0.05 -1.39 -2.31 116.97 119.70 3kfb h TYR 297 Ca 0.11 -0.34 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 3kfb h TYR 297 Cb 0.79 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.37 3kfb h TYR 297 CO 0.05 1.13 0.33 -0.07 -1.05 0.00 0.00 178.16 178.55 3kfb h LEU 298 N 0.43 0.63 -1.39 3.88 3.38 -1.34 -1.94 115.31 118.96 3kfb h LEU 298 Ca -0.03 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3kfb h LEU 298 Cb 1.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3kfb h LEU 298 CO 0.14 0.49 -0.30 0.00 0.09 0.00 0.00 178.44 178.85 3kfb h ALA 299 N 1.17 1.36 -0.01 1.53 0.00 -1.29 -1.55 119.26 120.47 3kfb h ALA 299 Ca 0.19 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3kfb h ALA 299 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kfb h ALA 299 CO -0.04 0.38 -0.75 -0.22 0.00 0.00 0.00 179.25 178.62 3kfb h LYS 300 N 0.00 0.06 0.00 0.00 3.64 -1.14 -3.03 116.57 116.10 3kfb h LYS 300 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3kfb h LYS 300 Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3kfb h LYS 300 CO 0.04 0.79 -0.18 0.93 -2.27 0.00 0.00 179.45 178.75 3kfb h GLU 301 N 0.04 0.00 0.00 1.90 4.39 -0.91 -3.48 114.58 116.53 3kfb h GLU 301 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kfb h GLU 301 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3kfb h GLU 301 CO 0.10 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.36 3kfb n GLY 302 N 1.28 0.85 3.58 -3.84 0.00 -0.85 -5.06 105.19 101.15 3kfb n GLY 302 Ca 0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3kfb n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfb s ILE 303 N -2.00 4.93 -0.15 -0.61 1.01 -0.64 -4.70 121.20 119.04 3kfb s ILE 303 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 3kfb s ILE 303 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 3kfb s ILE 303 CO 0.00 -0.22 1.17 -0.69 0.00 0.00 0.00 174.94 175.20 3kfb s VAL 304 N 2.61 4.42 0.10 2.92 1.01 -0.78 -4.36 120.40 126.32 3kfb s VAL 304 Ca 0.24 1.72 0.05 0.00 0.00 0.00 0.00 61.98 63.99 3kfb s VAL 304 Cb -0.15 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3kfb s VAL 304 CO 0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 175.10 175.00 3kfb s ALA 305 N 3.00 1.30 -0.03 5.51 0.00 -1.26 0.81 121.76 131.09 3kfb s ALA 305 Ca 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3kfb s ALA 305 Cb -0.20 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.89 3kfb s ALA 305 CO 0.14 0.08 -0.00 0.00 0.00 0.00 0.00 175.76 175.98 3kfb s ALA 306 N -1.97 0.38 0.14 0.00 0.00 -0.30 -0.82 121.76 119.19 3kfb s ALA 306 Ca 0.05 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.16 3kfb s ALA 306 Cb -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3kfb s ALA 306 CO 0.02 -0.09 0.28 -0.98 0.00 0.00 0.00 175.76 174.99 3kfb s ARG 307 N 1.06 3.44 -1.11 0.00 1.70 -1.26 -1.43 118.95 121.35 3kfb s ARG 307 Ca -0.09 -0.59 -0.21 0.00 -0.47 0.00 0.00 55.73 54.37 3kfb s ARG 307 Cb -0.14 -2.97 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 3kfb s ARG 307 CO -0.02 0.53 0.76 0.54 -1.08 0.00 0.00 175.30 176.03 3kfb n ARG 308 N -0.49 -1.05 -3.04 3.89 1.74 -0.40 -4.95 116.66 112.36 3kfb n ARG 308 Ca -0.07 0.45 -0.39 0.00 -0.77 0.00 0.00 57.85 57.07 3kfb n ARG 308 Cb 0.54 -3.76 -0.06 0.00 -1.02 0.00 0.00 32.46 28.17 3kfb n ARG 308 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kfb s VAL 309 N -3.42 4.63 0.42 1.55 1.01 -0.62 -4.99 120.40 118.99 3kfb s VAL 309 Ca 0.43 1.56 -0.25 0.00 0.00 0.00 0.00 61.98 63.72 3kfb s VAL 309 Cb -0.17 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 3kfb s VAL 309 CO 0.88 0.45 1.22 0.29 0.00 0.00 0.00 175.10 177.93 3kfb n LYS 310 N 2.26 1.79 0.18 2.72 4.76 -1.26 -4.51 118.16 124.11 3kfb n LYS 310 Ca -0.05 0.64 0.11 0.00 -2.87 0.00 0.00 58.31 56.14 3kfb n LYS 310 Cb 0.50 -2.31 0.65 0.00 -1.84 0.00 0.00 35.03 32.02 3kfb n LYS 310 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3kfb h LYS 311 N 1.94 0.01 0.03 1.97 3.64 -1.95 -1.14 116.57 121.08 3kfb h LYS 311 Ca -0.47 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.69 3kfb h LYS 311 Cb 1.30 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3kfb h LYS 311 CO 0.59 0.01 -0.99 0.66 -2.27 0.00 0.00 179.45 177.45 3kfb h SER 312 N 0.01 0.26 0.79 4.20 4.64 -2.00 -3.07 113.55 118.37 3kfb h SER 312 Ca 0.08 -0.24 -0.14 0.00 -0.47 0.00 0.00 61.79 61.02 3kfb h SER 312 Cb 0.29 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3kfb h SER 312 CO -0.00 1.10 -0.67 0.44 -0.87 0.00 0.00 176.83 176.82 3kfb h ASP 313 N 0.08 0.00 -0.42 4.97 3.32 -1.68 -2.65 116.42 120.04 3kfb h ASP 313 Ca -0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 3kfb h ASP 313 Cb 1.67 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.20 3kfb h ASP 313 CO 0.15 0.67 -0.10 0.24 -1.72 0.00 0.00 179.24 178.49 3kfb h MET 314 N 0.00 0.88 0.00 3.56 2.86 -1.24 -1.65 114.93 119.34 3kfb h MET 314 Ca -0.01 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 3kfb h MET 314 Cb 1.25 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 3kfb h MET 314 CO 0.09 0.93 -0.53 0.93 1.06 0.00 0.00 176.91 179.39 3kfb h GLU 315 N 0.79 0.00 -0.01 1.72 5.08 -1.46 -1.66 114.58 119.03 3kfb h GLU 315 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kfb h GLU 315 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3kfb h GLU 315 CO 0.04 0.53 -0.01 0.87 -1.00 0.00 0.00 179.01 179.45 3kfb h LYS 316 N 0.00 0.03 -0.70 2.33 1.79 -1.29 -2.98 116.57 115.75 3kfb h LYS 316 Ca -0.01 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3kfb h LYS 316 Cb 1.00 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 3kfb h LYS 316 CO 0.07 0.43 0.31 -0.07 -1.08 0.00 0.00 179.45 179.11 3kfb h LEU 317 N -0.37 0.92 -0.92 2.94 3.38 -1.22 -1.54 115.31 118.48 3kfb h LEU 317 Ca 0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3kfb h LEU 317 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3kfb h LEU 317 CO 0.00 0.79 0.13 0.00 0.09 0.00 0.00 178.44 179.46 3kfb h ALA 318 N 1.35 1.12 0.00 1.53 0.00 -1.35 -1.98 119.26 119.93 3kfb h ALA 318 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3kfb h ALA 318 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kfb h ALA 318 CO -0.03 0.59 -0.71 0.87 0.00 0.00 0.00 179.25 179.97 3kfb h LYS 319 N 0.88 0.00 0.07 0.00 1.57 -1.32 -2.84 116.57 114.92 3kfb h LYS 319 Ca 0.19 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.73 3kfb h LYS 319 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3kfb h LYS 319 CO 0.00 0.15 -1.27 0.00 -0.57 0.00 0.00 179.45 177.76 3kfb h ALA 320 N 1.80 0.21 0.00 3.86 0.00 -1.07 -1.40 119.26 122.65 3kfb h ALA 320 Ca -0.03 -1.09 -0.22 0.00 0.00 0.00 0.00 54.91 53.57 3kfb h ALA 320 Cb 1.18 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 3kfb h ALA 320 CO 0.02 0.75 -1.57 0.25 0.00 0.00 0.00 179.25 178.69 3kfb n THR 321 N -4.11 1.33 -0.63 0.00 -2.24 -0.76 -3.97 114.28 103.88 3kfb n THR 321 Ca -0.26 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 3kfb n THR 321 Cb 0.80 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3kfb n THR 321 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kfb n GLY 322 N 1.47 0.72 3.20 3.38 0.00 -1.18 -1.27 105.19 111.50 3kfb n GLY 322 Ca -0.13 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 3kfb n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb n ALA 323 N -0.48 0.73 -2.69 4.61 0.00 -1.08 -3.91 120.51 117.68 3kfb n ALA 323 Ca 0.00 -1.85 -0.22 0.00 0.00 0.00 0.00 53.44 51.37 3kfb n ALA 323 Cb 0.14 0.75 -0.15 0.00 0.00 0.00 0.00 19.45 20.19 3kfb n ALA 323 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kfb s ASN 324 N -3.73 1.57 -0.61 0.00 0.01 -1.01 -4.80 114.94 106.37 3kfb s ASN 324 Ca 0.27 -0.24 -0.27 0.00 -0.71 0.00 0.00 52.86 51.90 3kfb s ASN 324 Cb -0.02 -0.25 0.03 0.00 0.41 0.00 0.00 41.25 41.42 3kfb s ASN 324 CO 0.17 0.15 1.18 -0.69 -1.51 0.00 0.00 177.10 176.40 3kfb s VAL 325 N -0.19 4.00 -0.23 1.60 1.01 -1.26 -4.20 120.40 121.12 3kfb s VAL 325 Ca 0.03 0.71 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 3kfb s VAL 325 Cb -0.06 -4.75 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 3kfb s VAL 325 CO -0.00 -1.43 0.15 -0.63 0.00 0.00 0.00 175.10 173.18 3kfb s ILE 326 N 5.00 5.33 -2.57 2.22 -1.09 -0.85 -4.83 121.20 124.41 3kfb s ILE 326 Ca 0.39 0.17 0.25 0.00 -2.23 0.00 0.00 60.65 59.24 3kfb s ILE 326 Cb -0.08 -3.47 0.29 0.00 -1.58 0.00 0.00 42.46 37.62 3kfb s ILE 326 CO 0.22 0.37 1.43 0.41 -1.23 0.00 0.00 174.94 176.14 3kfb n THR 327 N 4.14 0.00 -3.83 2.92 -1.04 -1.26 -1.23 114.28 113.98 3kfb n THR 327 Ca -0.15 -0.34 -0.28 0.00 -2.04 0.00 0.00 64.05 61.23 3kfb n THR 327 Cb 0.52 1.02 -0.16 0.00 -1.82 0.00 0.00 70.33 69.88 3kfb n THR 327 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3kfb s ASN 328 N -2.12 3.11 0.57 8.00 2.47 -1.26 -4.31 114.94 121.41 3kfb s ASN 328 Ca 0.30 -0.86 0.37 0.00 0.42 0.00 0.00 52.86 53.09 3kfb s ASN 328 Cb 0.20 -0.83 1.71 0.00 -1.45 0.00 0.00 41.25 40.87 3kfb s ASN 328 CO 0.37 -0.25 2.10 -0.29 -3.72 0.00 0.00 177.10 175.31 3kfb h ILE 329 N 6.52 0.00 0.00 -5.21 2.10 -1.98 -2.03 117.51 116.91 3kfb h ILE 329 Ca -0.19 -0.32 -0.08 0.00 1.08 0.00 0.00 64.86 65.35 3kfb h ILE 329 Cb 1.10 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 38.12 3kfb h ILE 329 CO 0.37 0.00 -0.39 0.11 -1.08 0.00 0.00 178.15 177.16 3kfb h LYS 330 N 0.00 0.00 -0.43 2.19 1.79 -1.97 -3.16 116.57 114.99 3kfb h LYS 330 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kfb h LYS 330 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3kfb h LYS 330 CO 0.00 0.39 0.00 -3.47 -1.08 0.00 0.00 179.45 175.29 3kfb n ASP 331 N -3.46 4.42 -4.55 0.86 2.03 -0.77 -4.90 116.55 110.17 3kfb n ASP 331 Ca 0.00 -2.77 -0.37 0.00 0.52 0.00 0.00 54.79 52.18 3kfb n ASP 331 Cb 0.54 -0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 3kfb n ASP 331 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kfb s LEU 332 N -2.41 3.26 0.73 -2.67 2.96 -1.20 -4.98 118.68 114.38 3kfb s LEU 332 Ca 0.45 0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 54.35 3kfb s LEU 332 Cb 0.33 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 44.53 3kfb s LEU 332 CO 0.15 -2.37 1.09 -0.55 -1.32 0.00 0.00 176.35 173.34 3kfb s SER 333 N 7.69 5.04 0.24 3.68 0.15 -1.26 -4.77 113.70 124.47 3kfb s SER 333 Ca 0.65 0.85 0.26 0.00 0.70 0.00 0.00 55.95 58.40 3kfb s SER 333 Cb -0.11 -1.54 0.84 0.00 -1.71 0.00 0.00 66.02 63.49 3kfb s SER 333 CO 0.17 -1.54 1.76 0.00 1.20 0.00 0.00 173.24 174.82 3kfb h ALA 334 N -0.73 1.00 -0.01 5.45 0.00 -1.91 -3.20 119.26 119.87 3kfb h ALA 334 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3kfb h ALA 334 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kfb h ALA 334 CO 0.64 0.00 -0.30 1.04 0.00 0.00 0.00 179.25 180.63 3kfb n GLN 335 N -2.32 0.82 -0.34 0.00 3.00 -1.26 -3.90 117.38 113.37 3kfb n GLN 335 Ca 0.05 -0.50 0.06 0.00 -0.01 0.00 0.00 57.00 56.59 3kfb n GLN 335 Cb 0.39 -1.49 0.22 0.00 0.00 0.00 0.00 30.24 29.35 3kfb n GLN 335 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kfb n ASP 336 N -0.65 2.95 -4.87 1.08 10.43 -1.21 -4.90 116.55 119.38 3kfb n ASP 336 Ca 0.11 -2.20 -0.36 0.00 2.57 0.00 0.00 54.79 54.92 3kfb n ASP 336 Cb 0.36 -0.41 -0.06 0.00 1.84 0.00 0.00 41.12 42.85 3kfb n ASP 336 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kfb s LEU 337 N -1.24 4.39 0.66 0.64 1.43 -1.25 -2.42 118.68 120.89 3kfb s LEU 337 Ca 0.32 0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 54.02 3kfb s LEU 337 Cb 0.19 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.93 3kfb s LEU 337 CO 0.17 0.29 0.92 -0.83 0.23 0.00 0.00 176.35 177.13 3kfb s GLY 338 N -1.47 1.77 -0.06 -3.19 0.00 0.12 -4.60 107.32 99.90 3kfb s GLY 338 Ca 0.25 -1.36 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 3kfb s GLY 338 CO 0.13 -0.93 0.04 -0.35 0.00 0.00 0.00 173.10 171.99 3kfb s ASP 339 N -4.57 1.34 0.02 1.64 2.15 -0.40 -1.12 116.67 115.74 3kfb s ASP 339 Ca 0.62 -0.00 0.03 0.00 0.43 0.00 0.00 52.55 53.63 3kfb s ASP 339 Cb -0.09 -0.25 -0.02 0.00 -0.30 0.00 0.00 42.92 42.27 3kfb s ASP 339 CO 0.42 -0.23 -0.11 0.00 -0.17 0.00 0.00 175.17 175.08 3kfb s ALA 340 N 2.10 0.88 0.00 3.66 0.00 -1.15 -4.27 121.76 122.99 3kfb s ALA 340 Ca 0.05 -0.64 0.23 0.00 0.00 0.00 0.00 51.96 51.60 3kfb s ALA 340 Cb -0.12 -0.14 0.72 0.00 0.00 0.00 0.00 23.12 23.58 3kfb s ALA 340 CO -0.04 0.16 1.74 0.78 0.00 0.00 0.00 175.76 178.39 3kfb h GLY 341 N 5.23 0.00 -5.60 0.00 0.00 -1.17 -2.09 103.07 99.44 3kfb h GLY 341 Ca -0.35 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3kfb h GLY 341 CO 0.45 0.00 -0.27 -2.27 0.00 0.00 0.00 176.54 174.45 3kfb s LEU 342 N -6.59 -0.28 -0.16 3.11 0.20 -0.84 -1.46 118.68 112.65 3kfb s LEU 342 Ca 0.02 0.99 0.00 0.00 0.69 0.00 0.00 54.13 55.83 3kfb s LEU 342 Cb 0.09 1.48 0.03 0.00 -0.43 0.00 0.00 46.19 47.36 3kfb s LEU 342 CO 0.65 -0.20 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.71 3kfb s VAL 343 N 1.62 1.50 -0.02 1.68 1.01 -0.69 -0.78 120.40 124.73 3kfb s VAL 343 Ca -0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 3kfb s VAL 343 Cb -0.09 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3kfb s VAL 343 CO -0.14 0.32 0.10 -0.70 0.00 0.00 0.00 175.10 174.69 3kfb s GLU 344 N 1.49 0.24 -0.54 2.72 2.12 -0.42 -0.93 118.70 123.39 3kfb s GLU 344 Ca 0.03 -0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.08 3kfb s GLU 344 Cb -0.14 0.10 0.08 0.00 0.26 0.00 0.00 34.13 34.43 3kfb s GLU 344 CO -0.09 -0.05 0.62 -2.00 -0.54 0.00 0.00 175.26 173.20 3kfb s GLU 345 N -0.51 3.07 0.33 4.30 2.12 -0.53 0.24 118.70 127.71 3kfb s GLU 345 Ca -0.06 -1.16 0.07 0.00 0.36 0.00 0.00 54.97 54.18 3kfb s GLU 345 Cb -0.04 -4.18 -0.01 0.00 0.26 0.00 0.00 34.13 30.16 3kfb s GLU 345 CO 0.00 -1.33 0.43 1.03 -0.54 0.00 0.00 175.26 174.86 3kfb s ARG 346 N 2.48 3.06 -0.77 4.30 0.52 -0.77 -4.92 118.95 122.85 3kfb s ARG 346 Ca 0.12 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.23 3kfb s ARG 346 Cb -0.22 -2.76 0.20 0.00 0.52 0.00 0.00 34.95 32.68 3kfb s ARG 346 CO 0.09 0.08 0.64 0.15 0.02 0.00 0.00 175.30 176.28 3kfb s LYS 347 N -4.13 3.04 -0.22 3.54 1.02 -1.26 -1.47 119.74 120.25 3kfb s LYS 347 Ca 0.44 -2.82 -0.14 0.00 0.02 0.00 0.00 55.97 53.47 3kfb s LYS 347 Cb -0.09 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.23 3kfb s LYS 347 CO 0.30 -1.23 0.30 -1.50 -0.92 0.00 0.00 175.35 172.31 3kfb s ILE 348 N -0.55 5.26 -1.25 2.17 1.10 -0.83 -4.41 121.20 122.68 3kfb s ILE 348 Ca 0.21 0.49 -0.01 0.00 -0.51 0.00 0.00 60.65 60.83 3kfb s ILE 348 Cb -0.14 -3.64 0.00 0.00 0.15 0.00 0.00 42.46 38.84 3kfb s ILE 348 CO -0.07 0.28 0.90 -0.24 -2.11 0.00 0.00 174.94 173.69 3kfb n SER 349 N 4.49 -1.96 0.00 4.50 2.88 -1.26 -3.43 113.62 118.83 3kfb n SER 349 Ca -0.11 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 3kfb n SER 349 Cb 0.51 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.27 3kfb n SER 349 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kfb n GLY 350 N -1.35 1.80 3.78 0.46 0.00 -1.26 -4.93 105.19 103.69 3kfb n GLY 350 Ca -0.27 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3kfb n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfb s ASP 351 N 0.00 6.67 -0.22 1.61 1.01 -1.22 -4.94 116.67 119.58 3kfb s ASP 351 Ca 0.00 2.11 -0.09 0.00 0.71 0.00 0.00 52.55 55.27 3kfb s ASP 351 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 3kfb s ASP 351 CO 0.00 -0.56 0.12 -0.94 0.21 0.00 0.00 175.17 174.01 3kfb s SER 352 N -1.48 5.92 0.20 0.27 1.04 -1.26 -1.97 113.70 116.42 3kfb s SER 352 Ca 0.58 0.10 0.02 0.00 0.48 0.00 0.00 55.95 57.13 3kfb s SER 352 Cb -0.24 -2.05 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 3kfb s SER 352 CO 0.30 0.10 0.01 -0.04 0.98 0.00 0.00 173.24 174.59 3kfb s MET 353 N 0.81 1.22 -0.35 4.02 -1.94 -0.54 -4.60 119.30 117.93 3kfb s MET 353 Ca 0.06 -1.61 -0.16 0.00 -1.71 0.00 0.00 55.69 52.28 3kfb s MET 353 Cb -0.13 -0.40 -0.01 0.00 2.01 0.00 0.00 34.83 36.30 3kfb s MET 353 CO 0.02 -0.13 0.39 0.42 -0.01 0.00 0.00 175.02 175.71 3kfb s ILE 354 N -3.57 5.14 -0.47 2.53 1.01 -0.88 -1.85 121.20 123.11 3kfb s ILE 354 Ca 0.27 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.80 3kfb s ILE 354 Cb 0.06 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3kfb s ILE 354 CO 0.07 -0.12 0.70 -0.36 0.00 0.00 0.00 174.94 175.22 3kfb s PHE 355 N 2.08 3.01 -0.73 3.97 0.40 0.14 -1.96 117.98 124.90 3kfb s PHE 355 Ca 0.13 -0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.18 3kfb s PHE 355 Cb -0.16 -3.53 0.19 0.00 0.51 0.00 0.00 43.02 40.02 3kfb s PHE 355 CO 0.12 -0.99 0.69 0.08 0.70 0.00 0.00 175.22 175.82 3kfb s VAL 356 N 2.99 5.45 0.43 -0.44 1.01 -0.93 -1.30 120.40 127.61 3kfb s VAL 356 Ca 0.23 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 60.13 3kfb s VAL 356 Cb -0.15 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 3kfb s VAL 356 CO 0.18 -0.99 0.11 -1.84 0.00 0.00 0.00 175.10 172.56 3kfb n GLU 357 N 4.49 0.64 -3.57 2.72 0.28 0.04 -1.19 120.64 124.05 3kfb n GLU 357 Ca 0.05 -3.46 -0.20 0.00 -0.16 0.00 0.00 57.16 53.39 3kfb n GLU 357 Cb 0.45 1.64 0.06 0.00 1.43 0.00 0.00 31.44 35.02 3kfb n GLU 357 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kfb n GLU 358 N -0.99 -5.87 -2.44 3.44 1.02 -1.11 -1.98 120.64 112.72 3kfb n GLU 358 Ca -0.09 0.74 -0.29 0.00 -0.02 0.00 0.00 57.16 57.49 3kfb n GLU 358 Cb 0.61 -5.55 -0.01 0.00 -0.02 0.00 0.00 31.44 26.48 3kfb n GLU 358 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfb h LYS 360 N 0.29 -0.07 -2.97 0.00 1.79 -1.86 -3.43 116.57 110.32 3kfb h LYS 360 Ca -0.46 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.40 3kfb h LYS 360 Cb 1.20 0.02 -0.41 0.00 -1.58 0.00 0.00 32.23 31.45 3kfb h LYS 360 CO 0.62 -0.05 -0.66 -1.58 -1.08 0.00 0.00 179.45 176.70 3kfb s HIS 361 N -1.61 2.97 0.14 -1.35 2.46 -1.26 -5.10 115.29 111.54 3kfb s HIS 361 Ca -0.01 -3.08 -0.28 0.00 0.47 0.00 0.00 55.06 52.16 3kfb s HIS 361 Cb 0.00 -2.33 -0.07 0.00 -0.13 0.00 0.00 32.58 30.05 3kfb s HIS 361 CO 0.03 -0.63 0.89 -2.14 -2.47 0.00 0.00 174.74 170.42 3kfb s PRO 362 N -0.95 4.68 0.00 2.88 0.02 -1.26 -4.83 135.00 135.53 3kfb s PRO 362 Ca 0.25 1.34 0.17 0.00 0.02 0.00 0.00 61.00 62.78 3kfb s PRO 362 Cb -0.06 -3.33 0.02 0.00 0.02 0.00 0.00 34.50 31.14 3kfb s PRO 362 CO -0.15 0.36 0.91 1.63 -0.33 0.00 0.00 177.00 179.42 3kfb n LYS 363 N 2.29 1.60 -4.47 5.54 4.76 -0.53 -4.63 118.16 122.74 3kfb n LYS 363 Ca -0.01 -0.94 -0.22 0.00 -2.87 0.00 0.00 58.31 54.27 3kfb n LYS 363 Cb 0.49 -1.30 -0.14 0.00 -1.84 0.00 0.00 35.03 32.24 3kfb n LYS 363 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfb s ALA 364 N -1.88 1.39 -0.04 7.82 0.00 -1.25 -4.60 121.76 123.21 3kfb s ALA 364 Ca 0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 3kfb s ALA 364 Cb 0.14 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kfb s ALA 364 CO 0.39 0.29 0.15 0.08 0.00 0.00 0.00 175.76 176.66 3kfb s VAL 365 N -0.81 0.03 -0.17 0.00 1.01 -0.82 -4.38 120.40 115.26 3kfb s VAL 365 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3kfb s VAL 365 Cb -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 3kfb s VAL 365 CO 0.01 -0.12 -0.01 -0.89 0.00 0.00 0.00 175.10 174.09 3kfb s THR 366 N -0.39 4.11 -0.41 3.92 2.01 -0.60 0.24 115.64 124.53 3kfb s THR 366 Ca -0.05 -0.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 3kfb s THR 366 Cb -0.03 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.69 3kfb s THR 366 CO 0.01 0.47 0.28 -0.04 -0.69 0.00 0.00 174.62 174.65 3kfb s MET 367 N 0.50 2.87 -0.78 4.92 -1.94 0.90 -0.51 119.30 125.26 3kfb s MET 367 Ca -0.01 -1.16 -0.22 0.00 -1.71 0.00 0.00 55.69 52.59 3kfb s MET 367 Cb -0.14 -3.90 0.09 0.00 2.01 0.00 0.00 34.83 32.89 3kfb s MET 367 CO 0.02 -0.81 1.07 -1.17 -0.01 0.00 0.00 175.02 174.13 3kfb s LEU 368 N 1.60 4.46 -0.26 -0.03 2.96 -0.60 -1.32 118.68 125.48 3kfb s LEU 368 Ca 0.03 -1.34 -0.21 0.00 -0.22 0.00 0.00 54.13 52.39 3kfb s LEU 368 Cb -0.21 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 3kfb s LEU 368 CO 0.07 -1.35 0.67 -0.63 -1.32 0.00 0.00 176.35 173.80 3kfb s ILE 369 N 3.79 4.94 0.19 6.68 1.01 0.29 -2.35 121.20 135.75 3kfb s ILE 369 Ca 0.28 1.16 0.11 0.00 0.00 0.00 0.00 60.65 62.20 3kfb s ILE 369 Cb -0.11 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 3kfb s ILE 369 CO 0.02 -0.04 -0.23 -0.13 0.00 0.00 0.00 174.94 174.57 3kfb s ARG 370 N 2.61 1.46 0.03 2.79 0.52 -1.26 -2.70 118.95 122.40 3kfb s ARG 370 Ca 0.28 -1.49 -0.28 0.00 -0.52 0.00 0.00 55.73 53.71 3kfb s ARG 370 Cb -0.15 -1.73 0.10 0.00 0.52 0.00 0.00 34.95 33.70 3kfb s ARG 370 CO 0.09 0.37 1.22 0.20 0.02 0.00 0.00 175.30 177.20 3kfb s GLY 371 N -2.65 -0.29 0.08 -3.53 0.00 -1.24 -1.51 107.32 98.18 3kfb s GLY 371 Ca 0.19 0.41 -0.13 0.00 0.00 0.00 0.00 44.72 45.20 3kfb s GLY 371 CO 0.09 1.18 1.21 -0.91 0.00 0.00 0.00 173.10 174.66 3kfb h THR 372 N 2.00 1.29 -2.74 0.90 1.35 -1.87 -3.26 112.91 110.58 3kfb h THR 372 Ca -0.28 -2.27 -0.59 0.00 -0.55 0.00 0.00 66.41 62.72 3kfb h THR 372 Cb 1.21 2.38 -0.16 0.00 -1.73 0.00 0.00 68.15 69.85 3kfb h THR 372 CO 0.29 0.70 -0.78 0.42 -0.25 0.00 0.00 175.52 175.90 3kfb s THR 373 N -3.32 2.24 0.40 6.82 -4.23 -1.26 -4.75 115.64 111.54 3kfb s THR 373 Ca -0.09 -2.20 0.10 0.00 -1.18 0.00 0.00 61.69 58.32 3kfb s THR 373 Cb 0.07 -2.14 0.17 0.00 1.34 0.00 0.00 72.50 71.94 3kfb s THR 373 CO 0.91 -0.34 1.94 -0.08 -0.54 0.00 0.00 174.62 176.52 3kfb h GLU 374 N 2.72 0.20 0.00 3.99 4.57 -1.99 -1.85 114.58 122.21 3kfb h GLU 374 Ca -0.42 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 57.58 3kfb h GLU 374 Cb 1.23 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 3kfb h GLU 374 CO 0.56 0.33 -0.65 0.45 -1.18 0.00 0.00 179.01 178.51 3kfb h HIS 375 N 0.20 0.00 -0.16 0.92 3.86 -1.98 -1.34 115.15 116.65 3kfb h HIS 375 Ca 0.04 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3kfb h HIS 375 Cb 0.33 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 3kfb h HIS 375 CO 0.00 0.65 -0.10 0.28 0.86 0.00 0.00 177.93 179.63 3kfb h VAL 376 N 0.00 1.32 -0.44 2.45 2.07 -1.85 -3.02 116.25 116.78 3kfb h VAL 376 Ca -0.01 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.40 3kfb h VAL 376 Cb 1.40 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.87 3kfb h VAL 376 CO 0.08 0.35 0.16 0.40 0.02 0.00 0.00 177.57 178.58 3kfb h ILE 377 N 0.02 0.86 -0.07 4.57 2.04 -1.27 -2.37 117.51 121.30 3kfb h ILE 377 Ca 0.03 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 3kfb h ILE 377 Cb 0.59 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3kfb h ILE 377 CO 0.03 0.06 -0.20 -0.08 0.00 0.00 0.00 178.15 177.96 3kfb h GLU 378 N 0.33 0.11 0.12 2.37 4.81 -1.26 -0.68 114.58 120.38 3kfb h GLU 378 Ca 0.21 -0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 59.14 3kfb h GLU 378 Cb 0.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3kfb h GLU 378 CO -0.21 0.31 -1.22 1.49 -0.73 0.00 0.00 179.01 178.65 3kfb h GLU 379 N 0.10 0.26 -0.04 1.92 4.57 -1.36 -2.66 114.58 117.37 3kfb h GLU 379 Ca 0.02 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 57.69 3kfb h GLU 379 Cb 0.42 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3kfb h GLU 379 CO 0.03 1.21 -0.32 0.28 -1.18 0.00 0.00 179.01 179.03 3kfb h VAL 380 N 0.07 1.24 -0.67 0.32 2.07 -1.07 -1.83 116.25 116.39 3kfb h VAL 380 Ca -0.13 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 3kfb h VAL 380 Cb 1.95 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 3kfb h VAL 380 CO 0.20 0.34 0.10 0.00 0.02 0.00 0.00 177.57 178.22 3kfb h ALA 381 N 1.61 0.89 0.00 1.67 0.00 -1.08 -2.38 119.26 119.98 3kfb h ALA 381 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3kfb h ALA 381 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kfb h ALA 381 CO 0.04 0.67 -0.33 0.00 0.00 0.00 0.00 179.25 179.63 3kfb h ARG 382 N 1.04 0.00 0.00 0.00 3.08 -1.08 -2.28 114.38 115.14 3kfb h ARG 382 Ca 0.20 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 3kfb h ARG 382 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3kfb h ARG 382 CO 0.02 0.33 -0.41 0.00 -1.07 0.00 0.00 179.97 178.84 3kfb h ALA 383 N 1.67 0.91 0.05 0.04 0.00 -0.92 -3.02 119.26 117.99 3kfb h ALA 383 Ca -0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 54.91 54.26 3kfb h ALA 383 Cb 0.80 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3kfb h ALA 383 CO 0.04 0.51 -1.46 0.28 0.00 0.00 0.00 179.25 178.63 3kfb h VAL 384 N 0.00 1.19 -0.16 0.00 2.07 -1.18 -2.63 116.25 115.55 3kfb h VAL 384 Ca -0.00 -2.92 -0.06 0.00 0.82 0.00 0.00 66.70 64.53 3kfb h VAL 384 Cb 1.01 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 3kfb h VAL 384 CO 0.05 0.76 -0.16 0.44 0.02 0.00 0.00 177.57 178.68 3kfb h ASP 385 N 0.03 0.26 0.03 0.57 3.32 -1.41 0.17 116.42 119.39 3kfb h ASP 385 Ca -0.20 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.57 3kfb h ASP 385 Cb 1.95 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 41.45 3kfb h ASP 385 CO 0.12 0.45 -0.87 0.44 -1.72 0.00 0.00 179.24 177.66 3kfb h ASP 386 N 0.25 0.71 -0.31 6.45 5.19 -1.58 -2.64 116.42 124.49 3kfb h ASP 386 Ca 0.05 -0.78 -0.07 0.00 -0.62 0.00 0.00 57.03 55.61 3kfb h ASP 386 Cb 0.45 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 3kfb h ASP 386 CO 0.03 1.40 -0.03 0.00 -3.12 0.00 0.00 179.24 177.52 3kfb h ALA 387 N 0.32 1.17 -0.21 3.45 0.00 -1.10 -2.14 119.26 120.75 3kfb h ALA 387 Ca -0.12 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 3kfb h ALA 387 Cb 1.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3kfb h ALA 387 CO 0.17 0.54 -0.46 0.28 0.00 0.00 0.00 179.25 179.78 3kfb h VAL 388 N 0.64 1.31 -0.31 0.00 2.07 -0.75 -2.69 116.25 116.51 3kfb h VAL 388 Ca 0.12 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 3kfb h VAL 388 Cb 0.45 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3kfb h VAL 388 CO 0.02 0.52 0.15 1.23 0.02 0.00 0.00 177.57 179.50 3kfb h GLY 389 N 1.09 0.49 1.82 2.17 0.00 -1.06 -2.05 103.07 105.53 3kfb h GLY 389 Ca 0.03 -0.25 -0.17 0.00 0.00 0.00 0.00 47.33 46.94 3kfb h GLY 389 CO 0.09 0.23 -0.75 -0.39 0.00 0.00 0.00 176.54 175.72 3kfb h VAL 390 N 0.37 1.46 -0.38 4.60 -1.51 -1.41 -2.08 116.25 117.29 3kfb h VAL 390 Ca 0.11 -2.36 -0.15 0.00 -1.23 0.00 0.00 66.70 63.06 3kfb h VAL 390 Cb 0.13 2.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.56 3kfb h VAL 390 CO -0.01 0.69 -0.36 0.58 -1.23 0.00 0.00 177.57 177.23 3kfb h VAL 391 N 0.11 1.27 -0.33 7.19 2.07 -1.50 -2.16 116.25 122.91 3kfb h VAL 391 Ca -0.02 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.90 3kfb h VAL 391 Cb 1.32 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3kfb h VAL 391 CO 0.11 0.51 -0.05 1.23 0.02 0.00 0.00 177.57 179.39 3kfb h GLY 392 N 0.82 0.57 2.00 2.17 0.00 -1.31 -2.13 103.07 105.19 3kfb h GLY 392 Ca 0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3kfb h GLY 392 CO 0.09 0.33 -0.49 0.00 0.00 0.00 0.00 176.54 176.47 3kfb h THR 394 N 0.00 1.39 -0.63 0.00 2.02 -1.05 -1.45 112.91 113.19 3kfb h THR 394 Ca -0.00 -2.99 -0.03 0.00 0.77 0.00 0.00 66.41 64.16 3kfb h THR 394 Cb 1.00 2.88 -0.03 0.00 -1.74 0.00 0.00 68.15 70.26 3kfb h THR 394 CO 0.06 0.87 0.29 0.40 0.37 0.00 0.00 175.52 177.51 3kfb h ILE 395 N 0.07 1.22 0.05 3.11 2.04 -1.39 -0.16 117.51 122.46 3kfb h ILE 395 Ca -0.17 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3kfb h ILE 395 Cb 1.98 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3kfb h ILE 395 CO 0.19 0.26 -0.02 -0.33 0.00 0.00 0.00 178.15 178.24 3kfb h GLU 396 N 0.87 -0.06 0.01 2.37 5.08 -1.50 -3.40 114.58 117.96 3kfb h GLU 396 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kfb h GLU 396 Cb 0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kfb h GLU 396 CO -0.03 0.55 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.09 3kfb h ASP 397 N -0.80 -0.01 -0.10 1.42 3.45 -1.34 -3.48 116.42 115.56 3kfb h ASP 397 Ca -0.01 -0.73 -0.04 0.00 0.43 0.00 0.00 57.03 56.68 3kfb h ASP 397 Cb 0.65 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 3kfb h ASP 397 CO 0.01 0.74 -0.04 0.61 -1.57 0.00 0.00 179.24 178.99 3kfb n GLY 398 N 0.99 0.55 2.99 2.75 0.00 -0.07 -5.02 105.19 107.39 3kfb n GLY 398 Ca -0.09 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 3kfb n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kfb s ARG 399 N -1.55 1.36 0.20 1.61 0.52 -1.26 -0.48 118.95 119.34 3kfb s ARG 399 Ca 0.00 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 54.95 3kfb s ARG 399 Cb 0.00 -1.18 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 3kfb s ARG 399 CO 0.00 0.03 -0.14 0.96 0.02 0.00 0.00 175.30 176.18 3kfb s ILE 400 N 0.60 1.66 0.24 1.52 -4.36 -0.47 -1.17 121.20 119.22 3kfb s ILE 400 Ca -0.11 -2.19 0.05 0.00 -0.26 0.00 0.00 60.65 58.13 3kfb s ILE 400 Cb -0.14 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 3kfb s ILE 400 CO 0.02 -0.60 -0.04 0.68 0.24 0.00 0.00 174.94 175.25 3kfb s VAL 401 N -3.02 1.28 0.32 8.37 -7.23 0.13 -0.69 120.40 119.57 3kfb s VAL 401 Ca 0.22 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.11 3kfb s VAL 401 Cb -0.00 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.51 3kfb s VAL 401 CO 0.06 -0.36 0.84 -0.94 -0.31 0.00 0.00 175.10 174.40 3kfb s SER 402 N -3.34 7.06 0.01 4.85 1.04 -1.26 -0.30 113.70 121.76 3kfb s SER 402 Ca 0.28 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.28 3kfb s SER 402 Cb 0.05 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3kfb s SER 402 CO 0.09 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3kfb n GLY 403 N 0.17 1.82 2.23 7.32 0.00 -0.20 -3.61 105.19 112.92 3kfb n GLY 403 Ca 0.02 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 3kfb n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfb n GLY 404 N 5.00 0.07 2.24 -0.02 0.00 -1.26 -2.28 105.19 108.94 3kfb n GLY 404 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 3kfb n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfb n GLY 405 N -1.08 0.82 0.07 -0.02 0.00 -1.26 -3.21 105.19 100.50 3kfb n GLY 405 Ca -0.13 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 3kfb n GLY 405 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kfb h SER 406 N 0.00 -0.02 0.23 1.61 0.87 -1.65 -3.00 113.55 111.59 3kfb h SER 406 Ca -0.12 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 59.83 3kfb h SER 406 Cb 0.45 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3kfb h SER 406 CO 0.17 0.62 0.00 0.35 -0.53 0.00 0.00 176.83 177.44 3kfb n THR 407 N -4.80 0.16 0.07 2.23 -2.24 -1.24 -2.37 114.28 106.10 3kfb n THR 407 Ca -0.09 0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.50 3kfb n THR 407 Cb 0.32 -0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 67.73 3kfb n THR 407 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kfb h GLU 408 N 0.00 0.39 -0.18 -0.78 3.07 -1.89 -2.58 114.58 112.60 3kfb h GLU 408 Ca 0.00 -0.66 -0.02 0.00 -0.50 0.00 0.00 59.36 58.18 3kfb h GLU 408 Cb 0.11 0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3kfb h GLU 408 CO 0.00 1.32 0.03 0.28 -1.40 0.00 0.00 179.01 179.24 3kfb h VAL 409 N 0.08 1.22 -0.49 3.13 2.07 -1.37 0.34 116.25 121.21 3kfb h VAL 409 Ca -0.34 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3kfb h VAL 409 Cb 2.07 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 3kfb h VAL 409 CO 0.17 0.21 0.29 -0.08 0.02 0.00 0.00 177.57 178.18 3kfb h GLU 410 N 0.09 0.68 -0.07 1.57 4.57 -1.62 -1.21 114.58 118.59 3kfb h GLU 410 Ca 0.06 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 3kfb h GLU 410 Cb 0.30 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3kfb h GLU 410 CO 0.00 0.51 -0.40 1.25 -1.18 0.00 0.00 179.01 179.19 3kfb h LEU 411 N 0.66 0.16 -0.00 1.64 5.85 -1.39 -2.79 115.31 119.43 3kfb h LEU 411 Ca 0.18 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kfb h LEU 411 Cb 0.02 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3kfb h LEU 411 CO -0.03 0.55 0.00 -1.28 -0.34 0.00 0.00 178.44 177.33 3kfb h SER 412 N 0.13 0.00 0.58 1.25 0.87 0.16 -2.64 113.55 113.91 3kfb h SER 412 Ca 0.01 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 3kfb h SER 412 Cb 0.77 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3kfb h SER 412 CO 0.06 0.29 -0.33 0.00 -0.53 0.00 0.00 176.83 176.32 3kfb h MET 413 N -0.29 0.00 0.00 2.24 -0.00 -1.23 -2.55 114.93 113.11 3kfb h MET 413 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.56 3kfb h MET 413 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.87 3kfb h MET 413 CO 0.00 0.33 -0.69 0.87 -0.00 0.00 0.00 176.91 177.42 3kfb h LYS 414 N 0.00 0.00 0.00 -0.10 1.79 -1.51 -3.07 116.57 113.68 3kfb h LYS 414 Ca -0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 3kfb h LYS 414 Cb 0.71 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 3kfb h LYS 414 CO 0.04 0.69 -0.60 -0.07 -1.08 0.00 0.00 179.45 178.43 3kfb h LEU 415 N 0.00 0.00 -0.58 2.94 3.38 -1.23 -2.63 115.31 117.19 3kfb h LEU 415 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3kfb h LEU 415 Cb 1.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 3kfb h LEU 415 CO 0.09 0.60 -0.71 0.03 0.09 0.00 0.00 178.44 178.54 3kfb h ARG 416 N 0.00 0.02 0.00 1.13 3.08 -1.41 -0.76 114.38 116.44 3kfb h ARG 416 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kfb h ARG 416 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3kfb h ARG 416 CO 0.08 0.72 -0.75 1.05 -1.07 0.00 0.00 179.97 179.99 3kfb h GLU 417 N 0.01 0.00 0.00 0.04 4.11 -1.58 -3.12 114.58 114.05 3kfb h GLU 417 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 3kfb h GLU 417 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3kfb h GLU 417 CO 0.09 0.00 -0.83 -0.92 0.07 0.00 0.00 179.01 177.42 3kfb h TYR 418 N 0.00 0.07 -0.10 2.06 3.20 -1.24 -3.29 116.97 117.67 3kfb h TYR 418 Ca 0.00 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3kfb h TYR 418 Cb 0.78 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3kfb h TYR 418 CO 0.00 0.85 -0.50 0.00 -1.64 0.00 0.00 178.16 176.87 3kfb h ALA 419 N 1.13 0.97 0.00 1.82 0.00 -1.08 -2.91 119.26 119.19 3kfb h ALA 419 Ca -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3kfb h ALA 419 Cb 1.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3kfb h ALA 419 CO 0.11 0.66 -0.03 0.93 0.00 0.00 0.00 179.25 180.92 3kfb h GLU 420 N 0.20 0.00 -0.78 0.00 5.08 -1.61 -1.34 114.58 116.13 3kfb h GLU 420 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kfb h GLU 420 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3kfb h GLU 420 CO 0.08 0.03 0.01 0.41 -1.00 0.00 0.00 179.01 178.54 3kfb n GLY 421 N -1.16 2.30 3.05 -3.84 0.00 -1.10 -4.79 105.19 99.65 3kfb n GLY 421 Ca -0.03 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 3kfb n GLY 421 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfb s ILE 422 N -1.93 1.63 0.07 -0.61 1.01 -0.51 -5.11 121.20 115.75 3kfb s ILE 422 Ca 0.29 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 3kfb s ILE 422 Cb 0.22 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 41.13 3kfb s ILE 422 CO 0.08 0.47 0.37 -0.94 0.00 0.00 0.00 174.94 174.92 3kfb s SER 423 N 1.31 6.59 0.00 3.58 1.04 -1.26 -4.66 113.70 120.30 3kfb s SER 423 Ca 0.02 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.16 3kfb s SER 423 Cb -0.13 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.84 3kfb s SER 423 CO -0.08 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.92 3kfb n GLY 424 N 0.83 1.31 0.07 7.32 0.00 -1.26 -4.71 105.19 108.75 3kfb n GLY 424 Ca -0.08 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.90 3kfb n GLY 424 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kfb n ARG 425 N -0.24 0.20 0.29 1.61 0.63 -1.26 -2.46 116.66 115.43 3kfb n ARG 425 Ca 0.00 0.13 0.16 0.00 -0.92 0.00 0.00 57.85 57.22 3kfb n ARG 425 Cb 0.00 -1.70 0.90 0.00 0.45 0.00 0.00 32.46 32.11 3kfb n ARG 425 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3kfb h GLU 426 N 0.00 0.00 -0.71 -0.14 4.11 -1.85 -2.09 114.58 113.91 3kfb h GLU 426 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.53 3kfb h GLU 426 Cb 0.68 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 3kfb h GLU 426 CO 0.00 0.04 0.47 0.37 0.07 0.00 0.00 179.01 179.96 3kfb h GLN 427 N 0.00 0.56 0.00 1.06 4.15 -1.75 -0.57 115.11 118.56 3kfb h GLN 427 Ca -0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3kfb h GLN 427 Cb 0.15 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 3kfb h GLN 427 CO 0.01 0.37 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.09 3kfb h LEU 428 N 0.58 0.00 0.00 -2.39 3.38 -1.59 -2.38 115.31 112.90 3kfb h LEU 428 Ca 0.33 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.03 3kfb h LEU 428 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3kfb h LEU 428 CO -0.11 0.12 -1.48 0.00 0.09 0.00 0.00 178.44 177.06 3kfb h ALA 429 N 1.88 0.64 -0.30 1.53 0.00 -1.23 -2.75 119.26 119.03 3kfb h ALA 429 Ca -0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 54.91 53.52 3kfb h ALA 429 Cb 0.59 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kfb h ALA 429 CO 0.02 1.47 -0.23 0.28 0.00 0.00 0.00 179.25 180.79 3kfb h VAL 430 N 0.00 1.30 -0.36 0.00 2.07 -1.34 -1.05 116.25 116.88 3kfb h VAL 430 Ca -0.20 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 3kfb h VAL 430 Cb 1.93 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 3kfb h VAL 430 CO 0.09 0.44 0.12 0.03 0.02 0.00 0.00 177.57 178.28 3kfb h ARG 431 N 0.43 0.51 -0.46 1.57 3.08 -1.52 -1.37 114.38 116.61 3kfb h ARG 431 Ca 0.06 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3kfb h ARG 431 Cb 0.78 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 3kfb h ARG 431 CO 0.06 0.44 -0.14 0.00 -1.07 0.00 0.00 179.97 179.26 3kfb h ALA 432 N 1.63 0.64 -0.58 0.04 0.00 -1.35 -1.60 119.26 118.05 3kfb h ALA 432 Ca 0.12 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3kfb h ALA 432 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kfb h ALA 432 CO -0.01 0.57 0.07 0.35 0.00 0.00 0.00 179.25 180.23 3kfb h PHE 433 N 0.75 1.04 -0.29 0.00 3.57 -0.91 -1.64 116.94 119.46 3kfb h PHE 433 Ca 0.11 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3kfb h PHE 433 Cb 0.70 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3kfb h PHE 433 CO 0.05 0.91 0.15 0.00 -2.23 0.00 0.00 178.31 177.19 3kfb h ALA 434 N 1.00 0.38 0.00 2.41 0.00 -1.03 -2.69 119.26 119.33 3kfb h ALA 434 Ca 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kfb h ALA 434 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kfb h ALA 434 CO 0.01 -0.08 -0.07 -0.44 0.00 0.00 0.00 179.25 178.67 3kfb h ASP 435 N 0.34 0.00 0.18 0.00 3.32 -1.14 -2.59 116.42 116.54 3kfb h ASP 435 Ca 0.10 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.96 3kfb h ASP 435 Cb 0.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3kfb h ASP 435 CO -0.01 0.07 -0.74 0.00 -1.72 0.00 0.00 179.24 176.84 3kfb h ALA 436 N 1.93 0.54 0.00 3.45 0.00 -0.96 -3.14 119.26 121.07 3kfb h ALA 436 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kfb h ALA 436 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kfb h ALA 436 CO 0.01 0.75 -0.01 -0.07 0.00 0.00 0.00 179.25 179.93 3kfb h LEU 437 N 0.32 0.00 0.00 0.00 3.38 -1.31 -2.24 115.31 115.46 3kfb h LEU 437 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kfb h LEU 437 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3kfb h LEU 437 CO 0.13 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.05 3kfb n GLU 438 N -4.32 0.54 0.21 1.13 1.02 -1.19 -2.98 120.64 115.06 3kfb n GLU 438 Ca -0.03 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.22 3kfb n GLU 438 Cb 0.09 -1.10 0.20 0.00 -0.02 0.00 0.00 31.44 30.61 3kfb n GLU 438 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kfb h VAL 439 N 0.00 0.15 0.00 2.62 3.04 -1.60 -3.01 116.25 117.45 3kfb h VAL 439 Ca 0.00 -1.15 -0.06 0.00 -1.01 0.00 0.00 66.70 64.48 3kfb h VAL 439 Cb 0.00 2.02 0.01 0.00 -2.01 0.00 0.00 31.29 31.30 3kfb h VAL 439 CO 0.00 0.08 -0.25 0.40 -1.01 0.00 0.00 177.57 176.79 3kfb h ILE 440 N 0.00 1.56 -0.45 3.17 1.08 -1.80 -1.92 117.51 119.16 3kfb h ILE 440 Ca -0.00 -1.98 -0.05 0.00 -0.39 0.00 0.00 64.86 62.45 3kfb h ILE 440 Cb 1.01 2.81 -0.02 0.00 -3.07 0.00 0.00 36.82 37.55 3kfb h ILE 440 CO 0.01 0.54 0.07 -0.65 -0.69 0.00 0.00 178.15 177.43 3kfb h PRO 441 N -0.53 0.68 -0.14 2.37 0.11 -1.80 -2.43 132.00 130.27 3kfb h PRO 441 Ca -0.03 -0.14 -0.06 0.00 0.11 0.00 0.00 66.00 65.88 3kfb h PRO 441 Cb 1.02 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3kfb h PRO 441 CO 0.05 0.65 -0.17 -0.09 -0.21 0.00 0.00 178.00 178.23 3kfb h ARG 442 N 0.66 0.35 0.00 1.05 2.43 -1.58 -2.97 114.38 114.32 3kfb h ARG 442 Ca 0.14 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3kfb h ARG 442 Cb 0.30 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3kfb h ARG 442 CO 0.00 0.76 0.00 1.79 -1.51 0.00 0.00 179.97 181.02 3kfb h THR 443 N -0.04 0.00 -0.20 0.20 1.35 -1.36 -1.39 112.91 111.48 3kfb h THR 443 Ca 0.02 -0.50 -0.15 0.00 -0.55 0.00 0.00 66.41 65.23 3kfb h THR 443 Cb 0.72 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3kfb h THR 443 CO 0.04 0.00 -0.51 -0.07 -0.25 0.00 0.00 175.52 174.73 3kfb h LEU 444 N 0.00 0.59 -0.06 3.87 3.38 -1.39 -2.89 115.31 118.80 3kfb h LEU 444 Ca 0.00 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 3kfb h LEU 444 Cb 0.59 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kfb h LEU 444 CO 0.00 0.99 -0.47 0.00 0.09 0.00 0.00 178.44 179.06 3kfb h ALA 445 N 1.02 0.14 -0.23 1.53 0.00 -1.28 -2.82 119.26 117.62 3kfb h ALA 445 Ca 0.02 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3kfb h ALA 445 Cb 1.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3kfb h ALA 445 CO 0.09 0.31 -0.12 0.93 0.00 0.00 0.00 179.25 180.47 3kfb h GLU 446 N -0.03 -0.09 0.00 0.00 5.08 -1.32 -1.87 114.58 116.34 3kfb h GLU 446 Ca -0.04 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3kfb h GLU 446 Cb 1.13 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 3kfb h GLU 446 CO 0.10 -0.06 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.01 3kfb h ASN 447 N -0.10 0.00 1.30 1.42 2.35 -1.59 -2.25 115.58 116.72 3kfb h ASN 447 Ca 0.12 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 3kfb h ASN 447 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3kfb h ASN 447 CO -0.29 0.12 -0.36 0.00 -1.65 0.00 0.00 177.43 175.26 3kfb h ALA 448 N 1.88 0.84 0.00 -0.83 0.00 -1.10 -3.42 119.26 116.63 3kfb h ALA 448 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3kfb h ALA 448 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kfb h ALA 448 CO 0.02 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.12 3kfb n GLY 449 N 0.79 2.70 3.67 0.00 0.00 -0.78 -5.08 105.19 106.49 3kfb n GLY 449 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3kfb n GLY 449 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfb s LEU 450 N 0.00 1.50 -0.48 0.99 1.02 -0.97 -4.94 118.68 115.81 3kfb s LEU 450 Ca 0.00 1.14 -0.29 0.00 0.02 0.00 0.00 54.13 55.00 3kfb s LEU 450 Cb 0.00 -3.28 0.03 0.00 0.02 0.00 0.00 46.19 42.96 3kfb s LEU 450 CO 0.00 -3.22 1.12 -0.62 0.02 0.00 0.00 176.35 173.65 3kfb s ASP 451 N -3.48 6.61 0.30 2.29 3.68 -1.26 -4.40 116.67 120.41 3kfb s ASP 451 Ca 0.66 0.41 0.05 0.00 2.13 0.00 0.00 52.55 55.80 3kfb s ASP 451 Cb -0.18 -2.54 0.49 0.00 -1.45 0.00 0.00 42.92 39.24 3kfb s ASP 451 CO 0.58 -1.25 1.75 0.00 0.13 0.00 0.00 175.17 176.37 3kfb h ALA 452 N 9.24 1.18 -0.05 3.66 0.00 -1.87 -2.29 119.26 129.12 3kfb h ALA 452 Ca -0.23 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 3kfb h ALA 452 Cb 1.06 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3kfb h ALA 452 CO 1.12 0.53 -0.45 0.82 0.00 0.00 0.00 179.25 181.28 3kfb h ILE 453 N 0.31 1.42 -0.24 0.00 2.04 -1.93 -2.69 117.51 116.42 3kfb h ILE 453 Ca 0.04 -1.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 3kfb h ILE 453 Cb 0.67 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 3kfb h ILE 453 CO 0.05 0.55 0.04 -0.08 0.00 0.00 0.00 178.15 178.70 3kfb h GLU 454 N -0.09 0.39 -0.50 2.37 4.57 -1.97 -3.09 114.58 116.26 3kfb h GLU 454 Ca -0.04 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 3kfb h GLU 454 Cb 1.13 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 3kfb h GLU 454 CO 0.09 0.53 0.09 0.82 -1.18 0.00 0.00 179.01 179.36 3kfb h ILE 455 N 0.20 1.25 -0.01 2.32 2.04 -1.49 -2.15 117.51 119.67 3kfb h ILE 455 Ca 0.07 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3kfb h ILE 455 Cb 0.33 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3kfb h ILE 455 CO 0.00 0.33 0.06 0.25 0.00 0.00 0.00 178.15 178.79 3kfb h LEU 456 N 0.71 0.00 0.06 1.44 5.85 -1.46 -1.36 115.31 120.55 3kfb h LEU 456 Ca 0.15 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.56 3kfb h LEU 456 Cb 0.39 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3kfb h LEU 456 CO 0.01 0.00 -1.72 0.58 -0.34 0.00 0.00 178.44 176.97 3kfb h VAL 457 N 0.00 0.89 -0.04 1.05 2.07 -1.32 -2.97 116.25 115.93 3kfb h VAL 457 Ca 0.01 -2.65 -0.13 0.00 0.82 0.00 0.00 66.70 64.75 3kfb h VAL 457 Cb 0.12 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3kfb h VAL 457 CO -0.00 0.70 -0.56 0.11 0.02 0.00 0.00 177.57 177.84 3kfb h LYS 458 N 0.04 0.13 0.10 1.57 1.57 -1.01 -1.73 116.57 117.24 3kfb h LYS 458 Ca -0.30 -0.08 -0.27 0.00 -1.87 0.00 0.00 60.65 58.12 3kfb h LYS 458 Cb 2.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 3kfb h LYS 458 CO 0.10 0.65 -1.30 0.28 -0.57 0.00 0.00 179.45 178.62 3kfb h VAL 459 N 0.10 1.42 -0.29 0.50 2.07 -1.42 -2.64 116.25 115.99 3kfb h VAL 459 Ca -0.00 -3.04 -0.15 0.00 0.82 0.00 0.00 66.70 64.33 3kfb h VAL 459 Cb 1.01 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 3kfb h VAL 459 CO 0.08 0.87 -0.42 -0.09 0.02 0.00 0.00 177.57 178.03 3kfb h ARG 460 N 0.06 0.71 0.00 1.57 2.43 -1.50 -2.97 114.38 114.68 3kfb h ARG 460 Ca -0.15 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3kfb h ARG 460 Cb 1.96 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.52 3kfb h ARG 460 CO 0.18 1.00 -0.06 0.00 -1.51 0.00 0.00 179.97 179.57 3kfb h ALA 461 N 0.95 0.97 -0.25 2.80 0.00 -1.39 -3.04 119.26 119.29 3kfb h ALA 461 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kfb h ALA 461 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kfb h ALA 461 CO 0.09 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3kfb n ALA 462 N -2.12 2.49 -0.01 0.00 0.00 -1.00 -3.68 120.51 116.19 3kfb n ALA 462 Ca 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 53.44 52.89 3kfb n ALA 462 Cb 0.51 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 3kfb n ALA 462 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kfb n HIS 463 N 0.51 0.00 -2.10 0.00 -0.00 -1.15 -1.72 115.22 110.76 3kfb n HIS 463 Ca 0.15 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.50 3kfb n HIS 463 Cb 0.35 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 3kfb n HIS 463 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kfb s ALA 464 N -2.58 2.98 0.00 -1.41 0.00 -1.20 -4.43 121.76 115.12 3kfb s ALA 464 Ca -0.04 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3kfb s ALA 464 Cb 0.05 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3kfb s ALA 464 CO 0.40 -0.87 0.00 -1.13 0.00 0.00 0.00 175.76 174.15 3kfb n SER 465 N -0.53 0.00 0.00 0.00 3.41 -1.26 -4.57 113.62 110.67 3kfb n SER 465 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3kfb n SER 465 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3kfb n SER 465 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kfb n ASN 466 N 5.42 0.00 -4.81 4.04 3.02 -1.26 -5.08 115.26 116.58 3kfb n ASN 466 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 3kfb n ASN 466 Cb 0.00 -0.03 0.06 0.00 -0.61 0.00 0.00 39.78 39.20 3kfb n ASN 466 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kfb s GLY 467 N -2.42 1.66 -0.25 7.41 0.00 -1.26 -4.42 107.32 108.04 3kfb s GLY 467 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 44.72 44.72 3kfb s GLY 467 CO 0.00 0.39 -0.18 0.70 0.00 0.00 0.00 173.10 174.02 3kfb n ASN 468 N -3.20 1.98 0.00 1.64 3.02 -0.70 -4.01 115.26 113.98 3kfb n ASN 468 Ca 0.08 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 3kfb n ASN 468 Cb 0.54 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3kfb n ASN 468 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kfb n LYS 469 N -3.75 0.00 -0.44 3.52 4.81 -1.26 -4.72 118.16 116.32 3kfb n LYS 469 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.05 3kfb n LYS 469 Cb 0.93 -0.12 0.26 0.00 0.02 0.00 0.00 35.03 36.12 3kfb n LYS 469 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kfb s ALA 471 N -2.30 3.59 0.39 0.00 0.00 -1.26 -0.14 121.76 122.04 3kfb s ALA 471 Ca 0.40 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 3kfb s ALA 471 Cb 0.29 -2.43 0.05 0.00 0.00 0.00 0.00 23.12 21.04 3kfb s ALA 471 CO 0.13 -0.03 0.73 0.20 0.00 0.00 0.00 175.76 176.78 3kfb s GLY 472 N 0.67 0.66 -0.03 0.00 0.00 -0.79 -4.61 107.32 103.22 3kfb s GLY 472 Ca 0.15 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 3kfb s GLY 472 CO 0.04 -0.48 1.04 -2.27 0.00 0.00 0.00 173.10 171.43 3kfb s LEU 473 N -3.12 4.32 -0.45 0.66 2.96 -1.20 -1.73 118.68 120.13 3kfb s LEU 473 Ca 0.19 1.68 -0.15 0.00 -0.22 0.00 0.00 54.13 55.63 3kfb s LEU 473 Cb -0.04 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.15 3kfb s LEU 473 CO 0.14 -0.37 0.36 0.21 -1.32 0.00 0.00 176.35 175.36 3kfb s ASN 474 N 1.09 6.07 0.45 3.68 2.47 -1.16 -4.79 114.94 122.75 3kfb s ASN 474 Ca 0.52 -1.27 0.31 0.00 0.42 0.00 0.00 52.86 52.84 3kfb s ASN 474 Cb -0.21 -2.15 1.57 0.00 -1.45 0.00 0.00 41.25 39.01 3kfb s ASN 474 CO 0.24 -0.59 1.93 -0.37 -3.72 0.00 0.00 177.10 174.59 3kfb h VAL 475 N 5.78 0.00 0.08 -5.21 -1.51 -1.90 0.37 116.25 113.85 3kfb h VAL 475 Ca -0.27 -0.09 -0.35 0.00 -1.23 0.00 0.00 66.70 64.76 3kfb h VAL 475 Cb 1.11 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 31.07 3kfb h VAL 475 CO 0.83 0.00 -1.92 0.49 -1.23 0.00 0.00 177.57 175.74 3kfb n PHE 476 N -2.61 1.02 -0.04 5.19 3.72 -1.26 -4.37 117.46 119.11 3kfb n PHE 476 Ca -0.01 0.26 -0.16 0.00 -0.05 0.00 0.00 57.45 57.49 3kfb n PHE 476 Cb 0.10 -1.13 -0.07 0.00 -0.94 0.00 0.00 39.48 37.45 3kfb n PHE 476 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3kfb h THR 477 N -0.21 1.33 0.00 4.37 2.02 -1.84 -3.47 112.91 115.11 3kfb h THR 477 Ca -0.44 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 64.97 3kfb h THR 477 Cb 1.85 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 3kfb h THR 477 CO -0.02 0.55 0.00 0.61 0.37 0.00 0.00 175.52 177.03 3kfb n GLY 478 N 0.57 3.06 3.96 2.16 0.00 0.13 -5.04 105.19 110.03 3kfb n GLY 478 Ca -0.07 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 3kfb n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfb s ALA 479 N -0.48 3.73 -0.23 4.61 0.00 -1.26 -4.72 121.76 123.42 3kfb s ALA 479 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 3kfb s ALA 479 Cb 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.93 3kfb s ALA 479 CO 0.00 -0.80 1.09 0.54 0.00 0.00 0.00 175.76 176.59 3kfb s VAL 480 N -2.83 4.58 0.35 0.00 0.11 -1.26 -2.97 120.40 118.38 3kfb s VAL 480 Ca 0.57 1.90 0.07 0.00 -2.93 0.00 0.00 61.98 61.58 3kfb s VAL 480 Cb -0.10 -4.25 -0.07 0.00 -1.53 0.00 0.00 36.38 30.42 3kfb s VAL 480 CO 0.40 -0.20 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.26 3kfb s GLU 481 N 3.31 1.79 -0.41 1.54 2.12 -0.70 -4.90 118.70 121.44 3kfb s GLU 481 Ca 0.46 -1.97 -0.26 0.00 0.36 0.00 0.00 54.97 53.56 3kfb s GLU 481 Cb -0.16 -1.39 0.02 0.00 0.26 0.00 0.00 34.13 32.86 3kfb s GLU 481 CO 0.09 -0.03 0.96 0.34 -0.54 0.00 0.00 175.26 176.08 3kfb s ASP 482 N -3.59 6.62 0.37 -1.70 -1.08 -1.26 -1.89 116.67 114.13 3kfb s ASP 482 Ca 0.34 0.42 0.19 0.00 -0.52 0.00 0.00 52.55 52.97 3kfb s ASP 482 Cb 0.07 -2.47 0.62 0.00 -1.46 0.00 0.00 42.92 39.68 3kfb s ASP 482 CO 0.16 -0.98 1.70 0.24 0.52 0.00 0.00 175.17 176.81 3kfb h MET 483 N 8.78 0.00 -0.28 4.34 2.86 -0.85 -2.57 114.93 127.21 3kfb h MET 483 Ca -0.23 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.30 3kfb h MET 483 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3kfb h MET 483 CO 1.02 0.38 -0.23 0.00 1.06 0.00 0.00 176.91 179.14 3kfb h GLU 485 N 0.38 0.00 0.15 0.00 5.08 -1.90 -3.04 114.58 115.25 3kfb h GLU 485 Ca 0.05 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 3kfb h GLU 485 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.04 3kfb h GLU 485 CO 0.06 0.03 -1.28 -0.91 -1.00 0.00 0.00 179.01 175.91 3kfb h ASN 486 N 0.00 0.50 0.00 1.42 4.21 -1.36 -3.48 115.58 116.87 3kfb h ASN 486 Ca -0.00 -0.53 0.00 0.00 1.21 0.00 0.00 56.30 56.98 3kfb h ASN 486 Cb 0.67 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 3kfb h ASN 486 CO 0.00 1.42 0.00 0.61 -1.29 0.00 0.00 177.43 178.17 3kfb n GLY 487 N 1.56 1.87 3.23 2.83 0.00 -0.76 -5.08 105.19 108.83 3kfb n GLY 487 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3kfb n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfb s VAL 488 N -2.00 4.41 0.01 1.61 1.01 -0.27 -4.71 120.40 120.44 3kfb s VAL 488 Ca 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.27 3kfb s VAL 488 Cb 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3kfb s VAL 488 CO 0.00 -0.78 -0.01 0.68 0.00 0.00 0.00 175.10 174.99 3kfb s VAL 489 N 1.41 0.03 0.13 2.92 -7.23 -1.26 -1.03 120.40 115.37 3kfb s VAL 489 Ca 0.05 -0.27 0.08 0.00 -1.81 0.00 0.00 61.98 60.02 3kfb s VAL 489 Cb -0.27 -0.09 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 3kfb s VAL 489 CO 0.00 -0.15 -0.18 -1.61 -0.31 0.00 0.00 175.10 172.86 3kfb s GLU 490 N -0.44 1.15 0.61 4.82 2.02 0.59 -4.46 118.70 123.00 3kfb s GLU 490 Ca -0.05 -1.28 -0.18 0.00 0.02 0.00 0.00 54.97 53.48 3kfb s GLU 490 Cb -0.03 -1.21 -0.03 0.00 0.10 0.00 0.00 34.13 32.96 3kfb s GLU 490 CO -0.00 0.25 1.23 -2.14 0.02 0.00 0.00 175.26 174.62 3kfb s PRO 491 N -2.49 2.82 0.48 0.39 0.02 -1.26 0.22 135.00 135.18 3kfb s PRO 491 Ca 0.11 1.89 0.14 0.00 0.02 0.00 0.00 61.00 63.16 3kfb s PRO 491 Cb -0.07 -1.90 1.14 0.00 0.02 0.00 0.00 34.50 33.69 3kfb s PRO 491 CO 0.05 -1.35 2.10 1.25 -0.33 0.00 0.00 177.00 178.72 3kfb h LEU 492 N 0.73 0.08 -1.72 -5.54 5.85 -1.44 -2.52 115.31 110.76 3kfb h LEU 492 Ca -0.50 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 3kfb h LEU 492 Cb 1.31 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3kfb h LEU 492 CO 0.54 0.10 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.54 3kfb h ARG 493 N 0.10 0.00 -0.57 1.25 2.43 -1.90 -2.14 114.38 113.54 3kfb h ARG 493 Ca 0.02 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3kfb h ARG 493 Cb 0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3kfb h ARG 493 CO -0.00 0.12 -0.04 0.28 -1.51 0.00 0.00 179.97 178.82 3kfb h VAL 494 N 0.00 1.27 0.14 0.20 2.07 -1.78 -2.34 116.25 115.80 3kfb h VAL 494 Ca -0.00 -1.19 -0.30 0.00 0.82 0.00 0.00 66.70 66.03 3kfb h VAL 494 Cb 0.45 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3kfb h VAL 494 CO 0.02 0.43 -1.53 0.11 0.02 0.00 0.00 177.57 176.62 3kfb h LYS 495 N 0.93 0.29 -0.46 1.57 1.79 -1.63 -2.90 116.57 116.17 3kfb h LYS 495 Ca 0.16 -0.50 -0.11 0.00 -2.18 0.00 0.00 60.65 58.01 3kfb h LYS 495 Cb 0.60 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 3kfb h LYS 495 CO 0.04 1.24 -0.17 1.79 -1.08 0.00 0.00 179.45 181.27 3kfb h THR 496 N -0.16 1.27 -0.17 -0.16 1.35 -1.48 -1.17 112.91 112.38 3kfb h THR 496 Ca -0.32 -1.30 -0.04 0.00 -0.55 0.00 0.00 66.41 64.20 3kfb h THR 496 Cb 1.87 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3kfb h THR 496 CO 0.10 0.44 -0.07 -0.61 -0.25 0.00 0.00 175.52 175.14 3kfb h GLN 497 N 0.78 0.34 -0.84 4.72 5.75 -1.58 -2.14 115.11 122.14 3kfb h GLN 497 Ca 0.12 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3kfb h GLN 497 Cb 0.70 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 3kfb h GLN 497 CO 0.05 0.64 0.55 0.00 -2.65 0.00 0.00 178.83 177.42 3kfb h ALA 498 N 0.69 1.54 -0.03 3.38 0.00 -1.35 -0.91 119.26 122.58 3kfb h ALA 498 Ca 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3kfb h ALA 498 Cb 0.53 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kfb h ALA 498 CO 0.02 0.35 -0.74 0.82 0.00 0.00 0.00 179.25 179.70 3kfb h ILE 499 N 0.98 1.36 -0.13 0.00 2.04 -1.23 -2.53 117.51 118.01 3kfb h ILE 499 Ca 0.35 -2.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 3kfb h ILE 499 Cb 0.15 2.43 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 3kfb h ILE 499 CO -0.12 0.63 -0.02 -0.61 0.00 0.00 0.00 178.15 178.03 3kfb h GLN 500 N 0.13 0.23 -0.07 2.37 5.75 -1.20 -0.19 115.11 122.13 3kfb h GLN 500 Ca -0.08 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.22 3kfb h GLN 500 Cb 1.42 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 3kfb h GLN 500 CO 0.15 0.51 -0.45 0.66 -2.65 0.00 0.00 178.83 177.04 3kfb h SER 501 N -0.06 0.16 0.03 -0.69 4.64 -1.28 -1.08 113.55 115.27 3kfb h SER 501 Ca 0.03 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 3kfb h SER 501 Cb 0.41 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3kfb h SER 501 CO 0.01 0.60 -0.42 0.00 -0.87 0.00 0.00 176.83 176.15 3kfb h ALA 502 N 1.41 0.90 -0.08 5.18 0.00 -1.36 -2.83 119.26 122.49 3kfb h ALA 502 Ca 0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 3kfb h ALA 502 Cb 0.85 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.55 3kfb h ALA 502 CO 0.07 0.64 -0.88 0.00 0.00 0.00 0.00 179.25 179.08 3kfb h ALA 503 N 1.15 0.30 0.00 0.00 0.00 -0.74 -2.84 119.26 117.14 3kfb h ALA 503 Ca 0.03 -0.65 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 3kfb h ALA 503 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kfb h ALA 503 CO 0.08 0.71 -0.89 0.93 0.00 0.00 0.00 179.25 180.08 3kfb h GLU 504 N 0.42 0.25 0.19 0.00 5.08 -1.24 -1.85 114.58 117.43 3kfb h GLU 504 Ca -0.08 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 57.70 3kfb h GLU 504 Cb 1.51 0.08 0.03 0.00 0.50 0.00 0.00 28.75 30.86 3kfb h GLU 504 CO 0.17 0.99 -1.36 0.66 -1.00 0.00 0.00 179.01 178.47 3kfb h SER 505 N 0.14 0.74 1.37 1.42 4.64 -1.61 -3.20 113.55 117.06 3kfb h SER 505 Ca -0.05 -0.76 -0.05 0.00 -0.47 0.00 0.00 61.79 60.45 3kfb h SER 505 Cb 1.51 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3kfb h SER 505 CO 0.14 1.59 -0.25 0.71 -0.87 0.00 0.00 176.83 178.15 3kfb h THR 506 N 0.16 0.49 0.00 2.95 1.35 -1.57 -2.21 112.91 114.07 3kfb h THR 506 Ca -0.21 -1.41 -0.04 0.00 -0.55 0.00 0.00 66.41 64.21 3kfb h THR 506 Cb 2.05 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 70.49 3kfb h THR 506 CO 0.25 0.24 -0.17 -0.33 -0.25 0.00 0.00 175.52 175.26 3kfb h GLU 507 N 0.00 0.00 0.08 4.72 5.08 -1.41 -2.62 114.58 120.44 3kfb h GLU 507 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3kfb h GLU 507 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3kfb h GLU 507 CO 0.03 0.17 -1.29 1.98 -1.00 0.00 0.00 179.01 178.91 3kfb h MET 508 N 0.00 0.18 -0.73 2.33 4.05 -1.43 -3.23 114.93 116.10 3kfb h MET 508 Ca -0.00 -0.31 0.04 0.00 -0.28 0.00 0.00 59.70 59.15 3kfb h MET 508 Cb 0.40 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.26 3kfb h MET 508 CO 0.02 1.15 0.44 -0.07 0.23 0.00 0.00 176.91 178.68 3kfb h LEU 509 N -0.48 0.71 -2.14 3.39 3.38 -1.47 -2.70 115.31 116.00 3kfb h LEU 509 Ca -0.29 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3kfb h LEU 509 Cb 1.62 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 3kfb h LEU 509 CO 0.01 0.48 -0.04 -0.07 0.09 0.00 0.00 178.44 178.90 3kfb h LEU 510 N 0.85 0.00 -0.27 1.67 3.38 -1.58 -1.45 115.31 117.91 3kfb h LEU 510 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3kfb h LEU 510 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kfb h LEU 510 CO -0.13 0.04 0.00 0.54 0.09 0.00 0.00 178.44 178.98 3kfb n ARG 511 N -4.07 0.21 -2.71 1.13 1.74 -1.02 -4.82 116.66 107.12 3kfb n ARG 511 Ca -0.03 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 3kfb n ARG 511 Cb 0.13 -1.81 -0.04 0.00 -1.02 0.00 0.00 32.46 29.72 3kfb n ARG 511 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kfb s ILE 512 N -3.17 4.54 0.00 0.55 1.01 -0.55 -4.93 121.20 118.65 3kfb s ILE 512 Ca 0.08 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.77 3kfb s ILE 512 Cb 0.11 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3kfb s ILE 512 CO 0.51 0.28 0.00 -0.90 0.00 0.00 0.00 174.94 174.83 3kfb n ASP 513 N 3.02 0.02 -3.80 3.58 5.75 -1.26 -4.49 116.55 119.36 3kfb n ASP 513 Ca 0.03 -0.21 -0.13 0.00 -0.01 0.00 0.00 54.79 54.47 3kfb n ASP 513 Cb 0.49 0.43 -0.13 0.00 -1.03 0.00 0.00 41.12 40.88 3kfb n ASP 513 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kfb s ASP 514 N -0.43 -0.16 -0.02 -1.12 -1.08 -1.26 -0.67 116.67 111.93 3kfb s ASP 514 Ca 0.00 0.32 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 3kfb s ASP 514 Cb 0.00 0.29 -0.01 0.00 -1.46 0.00 0.00 42.92 41.74 3kfb s ASP 514 CO 0.00 -0.08 -0.18 -0.69 0.52 0.00 0.00 175.17 174.74 3kfb s VAL 515 N 0.38 1.45 -0.32 1.11 1.01 -1.17 -5.01 120.40 117.85 3kfb s VAL 515 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3kfb s VAL 515 Cb -0.04 -1.21 0.10 0.00 0.00 0.00 0.00 36.38 35.23 3kfb s VAL 515 CO -0.02 0.41 0.07 -0.63 0.00 0.00 0.00 175.10 174.94 3kfb s ILE 516 N -0.37 1.54 -0.20 2.22 1.01 -1.26 -3.07 121.20 121.08 3kfb s ILE 516 Ca 0.06 -1.84 -0.05 0.00 0.00 0.00 0.00 60.65 58.81 3kfb s ILE 516 Cb -0.08 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3kfb s ILE 516 CO -0.00 -0.63 0.01 0.00 0.00 0.00 0.00 174.94 174.32 3kfb s ALA 517 N 1.28 3.09 0.57 9.38 0.00 -0.55 -5.02 121.76 130.52 3kfb s ALA 517 Ca 0.10 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.16 3kfb s ALA 517 Cb -0.18 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.20 3kfb s ALA 517 CO -0.17 -0.12 0.79 0.00 0.00 0.00 0.00 175.76 176.26 3kfb s ALA 518 N 0.94 4.37 0.00 0.00 0.00 -1.26 -2.63 121.76 123.18 3kfb s ALA 518 Ca 0.02 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3kfb s ALA 518 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3kfb s ALA 518 CO 0.02 -0.86 0.00 -1.91 0.00 0.00 0.00 175.76 173.01