#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3y s VAL 2 N 0.00 0.14 0.00 2.03 1.01 -1.26 -5.04 120.40 117.28 2k3y s VAL 2 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2k3y s VAL 2 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2k3y s VAL 2 CO 0.00 0.12 0.63 -0.67 0.00 0.00 0.00 175.10 175.18 2k3y n ASP 3 N 3.92 0.00 -0.08 3.32 2.03 -1.26 -4.61 116.55 119.88 2k3y n ASP 3 Ca -0.24 -1.36 0.04 0.00 0.52 0.00 0.00 54.79 53.74 2k3y n ASP 3 Cb 0.52 -0.07 0.05 0.00 -0.72 0.00 0.00 41.12 40.90 2k3y n ASP 3 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k3y n LEU 4 N 0.00 1.70 0.03 -2.67 4.77 -1.26 -4.46 117.00 115.11 2k3y n LEU 4 Ca 0.00 -2.07 -0.06 0.00 -0.03 0.00 0.00 56.01 53.84 2k3y n LEU 4 Cb 0.57 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.62 2k3y n LEU 4 CO 0.00 0.50 0.55 -0.08 -1.33 0.00 0.00 177.39 177.02 2k3y h GLU 5 N 0.00 0.44 -2.72 3.23 4.81 -1.96 -3.39 114.58 114.99 2k3y h GLU 5 Ca 0.00 -0.25 -0.29 0.00 -0.13 0.00 0.00 59.36 58.70 2k3y h GLU 5 Cb 0.83 0.02 -0.35 0.00 0.63 0.00 0.00 28.75 29.88 2k3y h GLU 5 CO 0.00 0.83 -0.60 -1.14 -0.73 0.00 0.00 179.01 177.37 2k3y s GLN 6 N -4.07 0.15 1.03 1.92 0.74 -1.26 -5.08 119.66 113.08 2k3y s GLN 6 Ca -0.06 0.42 -0.16 0.00 0.05 0.00 0.00 55.36 55.61 2k3y s GLN 6 Cb 0.12 -0.71 0.21 0.00 1.10 0.00 0.00 33.01 33.73 2k3y s GLN 6 CO 0.81 -0.49 1.17 -1.21 -0.55 0.00 0.00 175.29 175.03 2k3y s GLU 7 N 2.35 0.18 -0.24 1.67 2.02 -1.26 -4.54 118.70 118.88 2k3y s GLU 7 Ca 0.05 -0.00 -0.25 0.00 0.02 0.00 0.00 54.97 54.79 2k3y s GLU 7 Cb -0.14 -1.75 -0.27 0.00 0.10 0.00 0.00 34.13 32.06 2k3y s GLU 7 CO -0.10 -2.79 1.64 1.97 0.02 0.00 0.00 175.26 176.00 2k3y n PHE 8 N -4.12 0.54 -2.21 1.61 1.16 -1.26 -4.71 117.46 108.47 2k3y n PHE 8 Ca 0.11 -0.90 -0.41 0.00 -1.87 0.00 0.00 57.45 54.38 2k3y n PHE 8 Cb 0.59 -1.02 -0.03 0.00 -1.61 0.00 0.00 39.48 37.41 2k3y n PHE 8 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k3y s ALA 9 N 6.14 3.49 -0.75 1.98 0.00 -1.26 -4.87 121.76 126.49 2k3y s ALA 9 Ca 0.58 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.73 2k3y s ALA 9 Cb 0.13 -3.45 0.20 0.00 0.00 0.00 0.00 23.12 20.00 2k3y s ALA 9 CO 0.24 -0.52 1.06 -0.11 0.00 0.00 0.00 175.76 176.43 2k3y n LEU 10 N 1.30 0.09 -1.52 0.00 -0.00 -1.26 -1.24 117.00 114.38 2k3y n LEU 10 Ca 0.01 0.49 -0.05 0.00 -0.00 0.00 0.00 56.01 56.47 2k3y n LEU 10 Cb 0.43 -0.50 -0.01 0.00 -0.00 0.00 0.00 43.42 43.34 2k3y n LEU 10 CO 0.58 -0.53 0.40 0.61 -0.00 0.00 0.00 177.39 178.45 2k3y n GLY 11 N -1.42 0.97 0.00 -3.96 0.00 -1.26 -4.34 105.19 95.19 2k3y n GLY 11 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k3y n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 12 N -0.39 -1.10 3.88 -0.02 0.00 -0.37 -4.99 105.19 102.20 2k3y n GLY 12 Ca -0.22 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 2k3y n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3y s ARG 13 N -0.91 3.22 0.31 1.61 0.52 -1.26 -4.33 118.95 118.10 2k3y s ARG 13 Ca 0.00 -0.67 0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2k3y s ARG 13 Cb 0.00 -2.85 -0.06 0.00 0.52 0.00 0.00 34.95 32.56 2k3y s ARG 13 CO 0.00 0.53 0.05 0.14 0.02 0.00 0.00 175.30 176.03 2k3y s VAL 14 N -1.68 1.17 0.01 3.52 -7.23 -0.87 -0.62 120.40 114.69 2k3y s VAL 14 Ca 0.33 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2k3y s VAL 14 Cb -0.11 -2.73 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2k3y s VAL 14 CO 0.26 -0.05 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.18 2k3y s LEU 15 N -3.46 2.07 0.05 1.32 2.01 0.10 -0.44 118.68 120.33 2k3y s LEU 15 Ca 0.36 -0.22 0.05 0.00 0.01 0.00 0.00 54.13 54.32 2k3y s LEU 15 Cb 0.08 -0.29 -0.02 0.00 0.01 0.00 0.00 46.19 45.96 2k3y s LEU 15 CO 0.15 0.01 -0.14 0.00 1.01 0.00 0.00 176.35 177.38 2k3y s ALA 16 N -0.44 1.17 -0.21 4.21 0.00 -0.57 -0.85 121.76 125.07 2k3y s ALA 16 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 2k3y s ALA 16 Cb -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2k3y s ALA 16 CO -0.00 0.20 -0.10 0.12 0.00 0.00 0.00 175.76 175.98 2k3y s PHE 17 N -0.98 2.91 -0.98 0.00 5.36 -0.79 -1.36 117.98 122.13 2k3y s PHE 17 Ca 0.00 -1.25 0.19 0.00 -0.96 0.00 0.00 56.93 54.91 2k3y s PHE 17 Cb -0.09 -2.04 -0.19 0.00 -0.34 0.00 0.00 43.02 40.37 2k3y s PHE 17 CO 0.02 -0.66 0.82 0.72 -1.46 0.00 0.00 175.22 174.66 2k3y n HIS 18 N 4.72 0.00 0.00 10.12 8.25 -0.22 -4.80 115.22 133.30 2k3y n HIS 18 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2k3y n HIS 18 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2k3y n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3y n GLY 19 N 1.43 1.43 0.29 -1.41 0.00 -1.26 -4.86 105.19 100.82 2k3y n GLY 19 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 2k3y n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y h PRO 20 N 0.00 0.93 -4.09 1.61 0.13 -1.93 -3.48 132.00 125.18 2k3y h PRO 20 Ca 0.00 -0.31 -0.26 0.00 -0.87 0.00 0.00 66.00 64.56 2k3y h PRO 20 Cb 0.00 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 30.97 2k3y h PRO 20 CO 0.00 0.96 -0.19 -1.17 -0.23 0.00 0.00 178.00 177.37 2k3y s LEU 21 N -9.17 0.96 0.02 1.56 2.96 -1.26 -4.89 118.68 108.86 2k3y s LEU 21 Ca -0.11 -1.45 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 2k3y s LEU 21 Cb 0.14 1.48 -0.02 0.00 0.50 0.00 0.00 46.19 48.28 2k3y s LEU 21 CO 0.84 -1.28 -0.03 -0.32 -1.32 0.00 0.00 176.35 174.24 2k3y s MET 22 N -3.13 0.31 0.06 1.98 -2.45 -1.26 -1.05 119.30 113.76 2k3y s MET 22 Ca 0.30 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 2k3y s MET 22 Cb -0.00 0.06 -0.03 0.00 1.25 0.00 0.00 34.83 36.11 2k3y s MET 22 CO 0.19 -0.04 -0.07 0.71 1.05 0.00 0.00 175.02 176.87 2k3y s TYR 23 N -1.34 0.72 0.38 4.11 2.02 -0.46 -4.98 117.35 117.79 2k3y s TYR 23 Ca -0.14 -0.69 -0.27 0.00 -0.37 0.00 0.00 57.07 55.60 2k3y s TYR 23 Cb -0.09 -0.43 -0.09 0.00 -0.40 0.00 0.00 41.96 40.95 2k3y s TYR 23 CO -0.01 -0.13 1.29 -1.21 -1.57 0.00 0.00 175.55 173.92 2k3y s GLU 24 N -2.55 4.11 0.19 -0.62 2.02 -1.26 -1.51 118.70 119.08 2k3y s GLU 24 Ca -0.01 2.14 0.04 0.00 0.02 0.00 0.00 54.97 57.16 2k3y s GLU 24 Cb -0.03 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 2k3y s GLU 24 CO -0.02 -0.37 -0.06 0.00 0.02 0.00 0.00 175.26 174.82 2k3y s ALA 25 N -1.24 1.70 -0.33 5.21 0.00 0.41 -0.62 121.76 126.91 2k3y s ALA 25 Ca 0.54 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2k3y s ALA 25 Cb -0.38 0.23 0.15 0.00 0.00 0.00 0.00 23.12 23.12 2k3y s ALA 25 CO 0.49 -0.14 0.36 0.21 0.00 0.00 0.00 175.76 176.67 2k3y s LYS 26 N -3.78 0.48 0.66 0.00 2.20 -0.63 -2.05 119.74 116.61 2k3y s LYS 26 Ca 0.23 -0.40 -0.17 0.00 -0.36 0.00 0.00 55.97 55.26 2k3y s LYS 26 Cb 0.04 -0.61 -0.02 0.00 -1.51 0.00 0.00 37.83 35.72 2k3y s LYS 26 CO 0.05 -1.10 0.94 -0.89 -0.36 0.00 0.00 175.35 173.99 2k3y n ILE 27 N 4.85 3.35 0.00 5.43 5.41 -1.26 -1.58 119.36 135.57 2k3y n ILE 27 Ca 0.04 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.34 2k3y n ILE 27 Cb 0.47 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 2k3y n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3y n LEU 28 N -1.15 0.00 -4.04 1.39 -0.00 -0.75 -4.60 117.00 107.85 2k3y n LEU 28 Ca 0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.94 2k3y n LEU 28 Cb 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.75 2k3y n LEU 28 CO 0.49 0.00 -0.45 -0.75 -0.00 0.00 0.00 177.39 176.68 2k3y s LYS 29 N -1.00 0.97 0.17 1.47 2.20 -1.23 -2.15 119.74 120.17 2k3y s LYS 29 Ca 0.00 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2k3y s LYS 29 Cb 0.00 -0.91 -0.04 0.00 -1.51 0.00 0.00 37.83 35.36 2k3y s LYS 29 CO 0.00 0.19 0.03 0.96 -0.36 0.00 0.00 175.35 176.17 2k3y s ILE 30 N -0.06 0.49 0.03 5.43 -0.00 0.48 -0.54 121.20 127.03 2k3y s ILE 30 Ca 0.01 -1.96 -0.06 0.00 -0.00 0.00 0.00 60.65 58.63 2k3y s ILE 30 Cb -0.06 -2.16 -0.01 0.00 -0.00 0.00 0.00 42.46 40.23 2k3y s ILE 30 CO 0.00 -0.42 0.12 0.86 -0.00 0.00 0.00 174.94 175.50 2k3y s TRP 31 N -3.79 0.14 -0.08 1.37 -0.11 -0.00 -0.93 118.94 115.54 2k3y s TRP 31 Ca 0.26 -0.37 -0.12 0.00 1.22 0.00 0.00 56.10 57.09 2k3y s TRP 31 Cb 0.07 -0.10 0.03 0.00 -1.50 0.00 0.00 33.47 31.96 2k3y s TRP 31 CO 0.04 -0.35 0.29 0.34 -4.62 0.00 0.00 176.95 172.66 2k3y s ASP 32 N -1.90 -0.26 0.15 5.86 -1.08 -1.25 -1.55 116.67 116.65 2k3y s ASP 32 Ca -0.08 0.40 0.17 0.00 -0.52 0.00 0.00 52.55 52.52 2k3y s ASP 32 Cb -0.03 0.51 0.74 0.00 -1.46 0.00 0.00 42.92 42.68 2k3y s ASP 32 CO -0.03 -0.22 1.51 -0.81 0.52 0.00 0.00 175.17 176.14 2k3y n PRO 33 N 2.34 0.09 0.08 4.34 -0.04 -1.25 -2.27 135.00 138.29 2k3y n PRO 33 Ca -0.16 0.42 0.01 0.00 -0.04 0.00 0.00 63.50 63.73 2k3y n PRO 33 Cb 0.57 -1.71 0.35 0.00 -0.04 0.00 0.00 33.50 32.67 2k3y n PRO 33 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k3y h SER 34 N 0.00 0.30 0.00 3.54 0.02 -1.93 -3.12 113.55 112.35 2k3y h SER 34 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2k3y h SER 34 Cb 0.21 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2k3y h SER 34 CO 0.00 0.46 -0.12 -1.20 -1.14 0.00 0.00 176.83 174.83 2k3y n SER 35 N -4.25 0.60 -3.96 3.07 7.64 -1.24 -5.02 113.62 110.45 2k3y n SER 35 Ca -0.00 -0.41 -0.26 0.00 1.01 0.00 0.00 58.87 59.22 2k3y n SER 35 Cb 0.29 0.93 -0.02 0.00 -1.01 0.00 0.00 64.21 64.40 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3y n LYS 36 N -0.99 -3.31 -3.90 1.43 5.02 -0.96 -4.99 118.16 110.44 2k3y n LYS 36 Ca 0.00 0.41 -0.09 0.00 -2.02 0.00 0.00 58.31 56.61 2k3y n LYS 36 Cb 0.00 -4.55 -0.08 0.00 -0.02 0.00 0.00 35.03 30.38 2k3y n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k3y s MET 37 N -6.56 0.77 0.50 1.97 -1.94 -1.25 -4.79 119.30 108.00 2k3y s MET 37 Ca 0.02 -0.96 0.08 0.00 -1.71 0.00 0.00 55.69 53.12 2k3y s MET 37 Cb -0.01 0.30 0.03 0.00 2.01 0.00 0.00 34.83 37.16 2k3y s MET 37 CO 0.89 -0.22 0.54 1.52 -0.01 0.00 0.00 175.02 177.74 2k3y s TYR 38 N -3.65 2.03 0.02 -0.03 1.13 -1.25 -3.78 117.35 111.82 2k3y s TYR 38 Ca 0.04 -0.65 -0.05 0.00 -1.41 0.00 0.00 57.07 55.00 2k3y s TYR 38 Cb 0.04 -2.14 -0.01 0.00 -1.10 0.00 0.00 41.96 38.75 2k3y s TYR 38 CO -0.10 -0.58 0.09 0.95 -2.51 0.00 0.00 175.55 173.40 2k3y s THR 39 N -2.60 0.11 0.11 -3.49 -4.23 -0.11 -4.05 115.64 101.39 2k3y s THR 39 Ca 0.49 -0.94 -0.09 0.00 -1.18 0.00 0.00 61.69 59.97 2k3y s THR 39 Cb -0.05 -0.65 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 2k3y s THR 39 CO 0.30 -0.52 0.23 -0.55 -0.54 0.00 0.00 174.62 173.54 2k3y s SER 40 N -1.79 0.08 0.07 3.99 0.15 -1.26 -0.39 113.70 114.55 2k3y s SER 40 Ca -0.10 -0.68 -0.06 0.00 0.70 0.00 0.00 55.95 55.82 2k3y s SER 40 Cb -0.05 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 2k3y s SER 40 CO -0.02 -0.77 0.11 0.27 1.20 0.00 0.00 173.24 174.02 2k3y s ILE 41 N -3.88 0.17 0.00 6.45 -4.36 -0.91 -1.02 121.20 117.64 2k3y s ILE 41 Ca 0.07 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 2k3y s ILE 41 Cb 0.04 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.42 2k3y s ILE 41 CO -0.09 -0.75 0.69 -0.81 0.24 0.00 0.00 174.94 174.22 2k3y n PRO 42 N 0.12 0.54 -0.16 0.37 -0.04 -1.26 -4.44 135.00 130.13 2k3y n PRO 42 Ca -0.15 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.28 2k3y n PRO 42 Cb 0.61 -1.23 0.04 0.00 -0.04 0.00 0.00 33.50 32.88 2k3y n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3y h ASN 43 N 1.29 -0.55 0.00 3.54 -1.24 -1.89 -3.45 115.58 113.28 2k3y h ASN 43 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.17 2k3y h ASN 43 Cb 0.54 0.34 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2k3y h ASN 43 CO 0.00 -0.19 0.00 -0.67 -1.29 0.00 0.00 177.43 175.28 2k3y n ASP 44 N -5.38 0.00 -3.69 1.15 2.03 -1.26 -5.06 116.55 104.33 2k3y n ASP 44 Ca 0.05 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.23 2k3y n ASP 44 Cb 0.29 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.62 2k3y n ASP 44 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2k3y s LYS 45 N 3.29 0.89 1.22 -0.67 -2.85 -1.26 -1.32 119.74 119.04 2k3y s LYS 45 Ca 0.00 -0.42 -0.19 0.00 -1.00 0.00 0.00 55.97 54.36 2k3y s LYS 45 Cb 0.00 0.39 0.29 0.00 -2.06 0.00 0.00 37.83 36.46 2k3y s LYS 45 CO 0.00 -0.30 1.06 -2.14 0.10 0.00 0.00 175.35 174.07 2k3y s PRO 46 N -2.55 -1.39 0.00 1.78 0.02 -1.26 -4.90 135.00 126.71 2k3y s PRO 46 Ca -0.05 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.08 2k3y s PRO 46 Cb -0.01 -1.56 0.00 0.00 0.02 0.00 0.00 34.50 32.95 2k3y s PRO 46 CO -0.03 -3.86 0.40 0.41 -0.33 0.00 0.00 177.00 173.59 2k3y n GLY 47 N -0.34 0.99 0.70 0.52 0.00 -1.26 -3.42 105.19 102.38 2k3y n GLY 47 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 2k3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 48 N 0.37 0.16 3.35 -0.02 0.00 -1.26 -4.86 105.19 102.93 2k3y n GLY 48 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2k3y n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 49 N -0.48 0.06 -0.06 1.61 0.01 -1.22 -5.09 113.70 108.54 2k3y s SER 49 Ca 0.00 -1.20 -0.23 0.00 1.31 0.00 0.00 55.95 55.83 2k3y s SER 49 Cb 0.00 0.46 -0.30 0.00 0.21 0.00 0.00 66.02 66.39 2k3y s SER 49 CO 0.00 -0.95 0.90 0.28 0.41 0.00 0.00 173.24 173.87 2k3y h SER 50 N 2.48 0.41 -3.63 2.44 0.02 -1.95 -3.43 113.55 109.90 2k3y h SER 50 Ca -0.32 -0.94 0.08 0.00 -0.84 0.00 0.00 61.79 59.76 2k3y h SER 50 Cb 1.25 -0.13 -0.25 0.00 0.14 0.00 0.00 62.40 63.41 2k3y h SER 50 CO 0.46 1.32 0.53 -1.58 -1.14 0.00 0.00 176.83 176.42 2k3y s GLN 51 N -2.47 0.53 0.90 3.45 0.74 -1.26 -4.69 119.66 116.85 2k3y s GLN 51 Ca -0.14 0.34 -0.10 0.00 0.05 0.00 0.00 55.36 55.50 2k3y s GLN 51 Cb 0.01 0.25 0.14 0.00 1.10 0.00 0.00 33.01 34.50 2k3y s GLN 51 CO 0.81 -0.12 1.15 0.00 -0.55 0.00 0.00 175.29 176.58 2k3y s ALA 52 N -0.48 1.55 0.00 1.58 0.00 -0.44 -4.96 121.76 119.02 2k3y s ALA 52 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 2k3y s ALA 52 Cb -0.03 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2k3y s ALA 52 CO -0.03 -2.67 0.00 2.41 0.00 0.00 0.00 175.76 175.48 2k3y n THR 53 N -4.12 0.00 -2.50 0.00 -1.04 -1.26 -4.36 114.28 101.00 2k3y n THR 53 Ca 0.12 0.43 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 2k3y n THR 53 Cb 0.52 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 2k3y n THR 53 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k3y n LYS 54 N -2.04 0.00 -1.76 -2.82 5.02 -1.26 -4.54 118.16 110.76 2k3y n LYS 54 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2k3y n LYS 54 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2k3y n LYS 54 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2k3y s GLU 55 N 0.73 3.13 0.19 1.97 2.12 -1.26 -4.01 118.70 121.56 2k3y s GLU 55 Ca 0.00 1.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.76 2k3y s GLU 55 Cb 0.00 -4.32 -0.08 0.00 0.26 0.00 0.00 34.13 29.99 2k3y s GLU 55 CO 0.00 -2.11 1.16 0.42 -0.54 0.00 0.00 175.26 174.20 2k3y s ILE 56 N 8.05 3.66 0.30 -3.70 1.01 -0.19 -4.97 121.20 125.36 2k3y s ILE 56 Ca 0.92 1.42 -0.29 0.00 0.00 0.00 0.00 60.65 62.69 2k3y s ILE 56 Cb -0.28 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 2k3y s ILE 56 CO 0.34 0.24 1.40 -0.54 0.00 0.00 0.00 174.94 176.37 2k3y s LYS 57 N -0.34 4.28 0.25 2.79 3.01 -1.26 -4.20 119.74 124.27 2k3y s LYS 57 Ca 0.51 2.31 -0.30 0.00 -1.01 0.00 0.00 55.97 57.49 2k3y s LYS 57 Cb -0.32 -3.08 -0.09 0.00 -1.01 0.00 0.00 37.83 33.34 2k3y s LYS 57 CO 0.36 -0.35 1.19 -1.25 0.51 0.00 0.00 175.35 175.81 2k3y s PRO 58 N -1.12 4.52 0.12 -1.68 0.04 -1.26 -4.92 135.00 130.71 2k3y s PRO 58 Ca 0.55 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.49 2k3y s PRO 58 Cb -0.42 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 2k3y s PRO 58 CO 0.50 0.00 0.08 -0.65 0.04 0.00 0.00 177.00 176.96 2k3y s GLN 59 N -1.00 0.91 0.69 4.56 -1.52 -1.26 -4.97 119.66 117.08 2k3y s GLN 59 Ca 0.49 -1.36 -0.16 0.00 -1.95 0.00 0.00 55.36 52.38 2k3y s GLN 59 Cb -0.34 0.26 0.02 0.00 -0.22 0.00 0.00 33.01 32.73 2k3y s GLN 59 CO 0.42 -0.26 1.20 0.15 -0.25 0.00 0.00 175.29 176.55 2k3y s LYS 60 N -4.02 2.40 0.16 2.91 -0.14 -1.26 -3.76 119.74 116.04 2k3y s LYS 60 Ca 0.20 1.75 0.06 0.00 -1.36 0.00 0.00 55.97 56.63 2k3y s LYS 60 Cb 0.07 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 2k3y s LYS 60 CO -0.00 -1.63 0.08 -1.17 -0.76 0.00 0.00 175.35 171.86 2k3y s LEU 61 N -4.85 3.61 0.00 3.17 0.20 -1.26 -4.76 118.68 114.78 2k3y s LEU 61 Ca 0.75 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.34 2k3y s LEU 61 Cb -0.29 -2.24 0.00 0.00 -0.43 0.00 0.00 46.19 43.23 2k3y s LEU 61 CO 0.42 0.09 0.00 0.61 -0.29 0.00 0.00 176.35 177.18 2k3y n GLY 62 N -0.17 1.80 0.11 7.98 0.00 -1.26 -5.02 105.19 108.63 2k3y n GLY 62 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2k3y n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3y h GLU 63 N 0.00 0.22 0.00 1.61 4.39 -2.03 -3.41 114.58 115.37 2k3y h GLU 63 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2k3y h GLU 63 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2k3y h GLU 63 CO 0.00 1.06 0.00 -3.47 -1.16 0.00 0.00 179.01 175.44 2k3y n ASP 64 N -3.59 0.00 -4.50 1.42 2.03 -1.26 -5.14 116.55 105.51 2k3y n ASP 64 Ca -0.05 -1.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.00 2k3y n ASP 64 Cb 0.89 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.20 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k3y s GLU 65 N 0.00 1.87 -0.08 -0.67 8.01 -1.26 -5.11 118.70 121.46 2k3y s GLU 65 Ca 0.00 -2.09 -0.13 0.00 0.01 0.00 0.00 54.97 52.76 2k3y s GLU 65 Cb 0.00 -1.16 0.03 0.00 -4.31 0.00 0.00 34.13 28.69 2k3y s GLU 65 CO 0.00 -0.22 0.33 -1.12 0.01 0.00 0.00 175.26 174.26 2k3y s SER 66 N -3.63 -0.29 -0.07 -0.19 0.01 -1.26 -4.30 113.70 103.97 2k3y s SER 66 Ca 0.29 0.45 -0.01 0.00 1.31 0.00 0.00 55.95 57.99 2k3y s SER 66 Cb 0.07 0.54 0.03 0.00 0.21 0.00 0.00 66.02 66.87 2k3y s SER 66 CO 0.14 -0.25 -0.00 0.27 0.41 0.00 0.00 173.24 173.81 2k3y s ILE 67 N -0.43 0.38 0.76 1.44 -4.36 -1.26 -4.72 121.20 113.01 2k3y s ILE 67 Ca -0.05 0.11 -0.15 0.00 -0.26 0.00 0.00 60.65 60.29 2k3y s ILE 67 Cb -0.04 -0.52 0.02 0.00 1.25 0.00 0.00 42.46 43.17 2k3y s ILE 67 CO 0.02 0.25 0.90 -2.65 0.24 0.00 0.00 174.94 173.70 2k3y n PRO 68 N 5.04 0.33 0.16 0.37 -0.02 -1.26 -4.77 135.00 134.85 2k3y n PRO 68 Ca -0.09 0.17 0.19 0.00 -2.02 0.00 0.00 63.50 61.75 2k3y n PRO 68 Cb 0.50 -2.17 0.77 0.00 -0.02 0.00 0.00 33.50 32.58 2k3y n PRO 68 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k3y h GLU 69 N -0.53 0.00 -0.48 -0.52 5.08 -2.01 -0.90 114.58 115.22 2k3y h GLU 69 Ca -0.46 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2k3y h GLU 69 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2k3y h GLU 69 CO 0.45 0.00 0.32 0.93 -1.00 0.00 0.00 179.01 179.71 2k3y h GLU 70 N 0.00 0.30 0.00 2.33 3.07 -2.02 -3.24 114.58 115.02 2k3y h GLU 70 Ca 0.14 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2k3y h GLU 70 Cb 0.92 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2k3y h GLU 70 CO -0.00 0.20 -0.82 0.44 -1.40 0.00 0.00 179.01 177.42 2k3y n ILE 71 N -4.47 0.00 -0.26 3.13 -5.35 -0.38 -4.48 119.36 107.55 2k3y n ILE 71 Ca 0.07 -0.17 0.07 0.00 -0.27 0.00 0.00 62.75 62.45 2k3y n ILE 71 Cb 0.32 0.60 0.20 0.00 -1.74 0.00 0.00 39.64 39.03 2k3y n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3y h ILE 72 N 0.00 0.55 -0.11 7.28 1.08 -1.49 -2.57 117.51 122.26 2k3y h ILE 72 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2k3y h ILE 72 Cb 0.10 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 2k3y h ILE 72 CO 0.00 0.06 0.00 -0.46 -0.69 0.00 0.00 178.15 177.06 2k3y n ASN 73 N -5.09 0.76 -2.48 1.72 0.23 -1.23 -3.89 115.26 105.28 2k3y n ASN 73 Ca 0.15 -2.02 -0.09 0.00 -0.53 0.00 0.00 54.58 52.10 2k3y n ASN 73 Cb 0.48 -0.14 0.01 0.00 -2.08 0.00 0.00 39.78 38.04 2k3y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3y n GLY 74 N 0.59 1.60 3.74 4.83 0.00 -0.97 -4.74 105.19 110.23 2k3y n GLY 74 Ca 0.04 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2k3y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3y n LYS 75 N -0.44 2.75 -4.07 1.61 4.76 -1.26 -4.13 118.16 117.38 2k3y n LYS 75 Ca -0.04 0.98 -0.13 0.00 -2.87 0.00 0.00 58.31 56.25 2k3y n LYS 75 Cb 0.47 -2.79 -0.11 0.00 -1.84 0.00 0.00 35.03 30.75 2k3y n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3y s SER 76 N 0.74 0.88 -0.15 4.39 0.01 -0.59 -4.30 113.70 114.66 2k3y s SER 76 Ca 0.68 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 2k3y s SER 76 Cb -0.49 0.04 0.05 0.00 0.21 0.00 0.00 66.02 65.83 2k3y s SER 76 CO 0.43 -0.22 0.03 -0.36 0.41 0.00 0.00 173.24 173.52 2k3y s PHE 77 N -1.54 0.86 -0.16 2.43 0.08 -0.74 -0.82 117.98 118.08 2k3y s PHE 77 Ca -0.08 -0.60 -0.29 0.00 0.12 0.00 0.00 56.93 56.07 2k3y s PHE 77 Cb -0.09 -0.93 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 2k3y s PHE 77 CO 0.00 -0.51 1.14 0.12 -0.10 0.00 0.00 175.22 175.86 2k3y s PHE 78 N 1.91 3.18 0.09 0.36 5.36 0.30 -1.65 117.98 127.54 2k3y s PHE 78 Ca 0.01 1.29 0.02 0.00 -0.96 0.00 0.00 56.93 57.29 2k3y s PHE 78 Cb -0.15 -3.36 -0.04 0.00 -0.34 0.00 0.00 43.02 39.12 2k3y s PHE 78 CO -0.07 -0.99 -0.06 0.96 -1.46 0.00 0.00 175.22 173.59 2k3y s ILE 79 N 2.93 0.65 -0.17 3.12 -4.36 -0.74 -1.82 121.20 120.81 2k3y s ILE 79 Ca 0.50 -1.85 -0.05 0.00 -0.26 0.00 0.00 60.65 58.99 2k3y s ILE 79 Cb -0.19 -1.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.91 2k3y s ILE 79 CO 0.14 -0.83 0.01 -2.28 0.24 0.00 0.00 174.94 172.21 2k3y s HIS 80 N -3.42 3.11 -0.42 1.37 5.65 -0.61 -3.05 115.29 117.92 2k3y s HIS 80 Ca 0.09 -0.18 -0.29 0.00 0.25 0.00 0.00 55.06 54.93 2k3y s HIS 80 Cb 0.04 -2.02 0.01 0.00 -1.18 0.00 0.00 32.58 29.43 2k3y s HIS 80 CO -0.05 0.00 1.40 0.71 -0.65 0.00 0.00 174.74 176.16 2k3y s TYR 81 N 0.47 2.42 0.48 3.88 2.02 -1.26 -1.61 117.35 123.76 2k3y s TYR 81 Ca -0.01 0.67 -0.21 0.00 -0.37 0.00 0.00 57.07 57.16 2k3y s TYR 81 Cb -0.14 -4.32 -0.08 0.00 -0.40 0.00 0.00 41.96 37.02 2k3y s TYR 81 CO 0.02 -1.95 1.07 -0.65 -1.57 0.00 0.00 175.55 172.47 2k3y s GLN 82 N 4.92 3.75 0.00 -0.62 -0.21 0.21 -2.14 119.66 125.58 2k3y s GLN 82 Ca 0.61 1.46 0.00 0.00 0.02 0.00 0.00 55.36 57.45 2k3y s GLN 82 Cb -0.13 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.72 2k3y s GLN 82 CO 0.33 -0.49 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 2k3y n GLY 83 N -0.03 0.30 3.43 3.09 0.00 -1.26 -4.49 105.19 106.23 2k3y n GLY 83 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2k3y n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3y s TRP 84 N -1.82 1.82 0.87 1.61 0.52 -0.91 -5.15 118.94 115.87 2k3y s TRP 84 Ca 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 56.10 54.91 2k3y s TRP 84 Cb 0.00 -1.16 0.11 0.00 -1.15 0.00 0.00 33.47 31.28 2k3y s TRP 84 CO 0.00 -0.16 1.09 0.15 0.02 0.00 0.00 176.95 178.05 2k3y s LYS 85 N -3.88 1.49 0.59 4.98 1.02 -1.26 -4.85 119.74 117.84 2k3y s LYS 85 Ca 0.34 1.04 0.37 0.00 0.02 0.00 0.00 55.97 57.74 2k3y s LYS 85 Cb 0.07 -1.82 1.79 0.00 -0.52 0.00 0.00 37.83 37.35 2k3y s LYS 85 CO 0.15 -2.14 2.15 0.77 -0.92 0.00 0.00 175.35 175.35 2k3y h SER 86 N -1.49 0.00 -0.16 2.83 0.02 -1.91 -3.17 113.55 109.68 2k3y h SER 86 Ca -0.47 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2k3y h SER 86 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2k3y h SER 86 CO 0.52 0.02 0.11 0.28 -1.14 0.00 0.00 176.83 176.61 2k3y h SER 87 N 0.00 0.12 -0.37 3.07 0.02 -1.92 -2.49 113.55 111.98 2k3y h SER 87 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3y h SER 87 Cb 0.30 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k3y h SER 87 CO 0.00 0.08 0.00 0.79 -1.14 0.00 0.00 176.83 176.57 2k3y n TRP 88 N -4.51 1.09 -1.79 3.45 7.02 -1.20 -4.83 117.44 116.67 2k3y n TRP 88 Ca -0.00 -0.40 -0.41 0.00 -1.02 0.00 0.00 57.50 55.67 2k3y n TRP 88 Cb 0.13 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 28.73 2k3y n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3y s ASP 89 N -0.59 5.39 0.10 -0.99 1.11 -0.94 -4.46 116.67 116.28 2k3y s ASP 89 Ca 0.32 1.34 -0.17 0.00 0.18 0.00 0.00 52.55 54.22 2k3y s ASP 89 Cb 0.23 -2.52 0.04 0.00 1.07 0.00 0.00 42.92 41.74 2k3y s ASP 89 CO 0.12 -2.10 0.42 -0.70 1.18 0.00 0.00 175.17 174.09 2k3y s GLU 90 N 6.55 1.03 0.11 8.23 2.12 -1.17 -4.99 118.70 130.58 2k3y s GLU 90 Ca 0.89 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 55.63 2k3y s GLU 90 Cb -0.24 0.46 -0.05 0.00 0.26 0.00 0.00 34.13 34.56 2k3y s GLU 90 CO 0.31 -0.39 0.31 -1.58 -0.54 0.00 0.00 175.26 173.37 2k3y s TRP 91 N -3.31 3.49 0.12 5.30 0.52 -1.26 -1.80 118.94 122.00 2k3y s TRP 91 Ca -0.00 0.41 0.06 0.00 0.02 0.00 0.00 56.10 56.59 2k3y s TRP 91 Cb 0.01 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2k3y s TRP 91 CO -0.08 0.49 -0.14 0.14 0.02 0.00 0.00 176.95 177.38 2k3y s VAL 92 N -1.62 1.27 0.54 4.03 -7.23 -0.66 -4.92 120.40 111.82 2k3y s VAL 92 Ca 0.38 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2k3y s VAL 92 Cb -0.12 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.36 2k3y s VAL 92 CO 0.26 -0.42 0.77 -0.83 -0.31 0.00 0.00 175.10 174.57 2k3y s GLY 93 N -2.41 1.73 0.43 2.32 0.00 -1.26 -1.80 107.32 106.33 2k3y s GLY 93 Ca 0.08 -1.19 0.24 0.00 0.00 0.00 0.00 44.72 43.85 2k3y s GLY 93 CO 0.03 -0.93 1.72 -1.82 0.00 0.00 0.00 173.10 172.10 2k3y h TYR 94 N 0.10 0.00 -0.10 1.90 5.03 -1.79 0.01 116.97 122.12 2k3y h TYR 94 Ca -0.44 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.90 2k3y h TYR 94 Cb 1.28 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.56 2k3y h TYR 94 CO 0.40 0.00 0.15 0.22 -1.32 0.00 0.00 178.16 177.60 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.95 -3.30 116.42 112.63 2k3y h ASP 95 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k3y h ASP 95 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2k3y h ASP 95 CO 0.00 0.00 -0.84 0.54 -2.88 0.00 0.00 179.24 176.06 2k3y n ARG 96 N -3.56 0.80 -3.55 0.28 1.74 -0.11 -4.98 116.66 107.28 2k3y n ARG 96 Ca -0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.82 2k3y n ARG 96 Cb 0.24 -0.92 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 2k3y n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3y s ILE 97 N -1.84 5.15 0.19 0.55 2.07 -0.64 -1.88 121.20 124.79 2k3y s ILE 97 Ca 0.00 -0.43 -0.14 0.00 -1.41 0.00 0.00 60.65 58.67 2k3y s ILE 97 Cb 0.00 -3.80 0.01 0.00 0.13 0.00 0.00 42.46 38.80 2k3y s ILE 97 CO 0.00 -0.37 0.44 -0.13 -1.91 0.00 0.00 174.94 172.97 2k3y s ARG 98 N -3.85 1.32 0.16 3.50 0.52 -0.03 -4.50 118.95 116.08 2k3y s ARG 98 Ca 0.39 -0.99 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 2k3y s ARG 98 Cb -0.10 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.80 2k3y s ARG 98 CO 0.32 -0.54 0.30 0.00 0.02 0.00 0.00 175.30 175.40 2k3y s ALA 99 N -3.91 3.95 -0.34 2.13 0.00 -1.26 0.02 121.76 122.35 2k3y s ALA 99 Ca 0.13 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 2k3y s ALA 99 Cb 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 2k3y s ALA 99 CO -0.01 0.51 1.85 -0.47 0.00 0.00 0.00 175.76 177.64 2k3y s TYR 100 N -1.77 1.73 0.18 0.00 6.14 0.21 -4.81 117.35 119.02 2k3y s TYR 100 Ca 0.35 0.64 -0.20 0.00 0.64 0.00 0.00 57.07 58.50 2k3y s TYR 100 Cb -0.11 -4.10 0.05 0.00 0.42 0.00 0.00 41.96 38.22 2k3y s TYR 100 CO 0.29 -3.01 0.56 0.54 0.64 0.00 0.00 175.55 174.57 2k3y s ASN 101 N 6.53 -0.39 0.43 4.32 2.20 -1.26 -4.60 114.94 122.17 2k3y s ASN 101 Ca 0.81 -0.26 0.15 0.00 -0.94 0.00 0.00 52.86 52.63 2k3y s ASN 101 Cb -0.23 0.59 1.05 0.00 -2.00 0.00 0.00 41.25 40.66 2k3y s ASN 101 CO 0.33 -1.02 1.94 -0.08 -2.94 0.00 0.00 177.10 175.33 2k3y h GLU 102 N 2.12 0.40 -0.53 3.55 4.57 -1.93 0.01 114.58 122.76 2k3y h GLU 102 Ca -0.31 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.81 2k3y h GLU 102 Cb 1.28 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2k3y h GLU 102 CO 0.38 0.26 0.19 1.49 -1.18 0.00 0.00 179.01 180.15 2k3y h GLU 103 N 0.41 0.81 0.00 1.92 4.81 -1.96 0.11 114.58 120.67 2k3y h GLU 103 Ca 0.34 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2k3y h GLU 103 Cb 0.76 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2k3y h GLU 103 CO -0.10 0.72 -0.35 -0.91 -0.73 0.00 0.00 179.01 177.64 2k3y h ASN 104 N 0.72 0.00 0.48 1.04 2.35 -1.35 -1.48 115.58 117.35 2k3y h ASN 104 Ca 0.17 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 2k3y h ASN 104 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2k3y h ASN 104 CO -0.01 0.35 -0.73 0.40 -1.65 0.00 0.00 177.43 175.79 2k3y h ILE 105 N 0.00 1.44 -0.70 2.81 1.08 -0.81 0.18 117.51 121.51 2k3y h ILE 105 Ca -0.00 -2.29 -0.06 0.00 -0.39 0.00 0.00 64.86 62.12 2k3y h ILE 105 Cb 0.96 2.22 -0.03 0.00 -3.07 0.00 0.00 36.82 36.90 2k3y h ILE 105 CO 0.05 0.67 0.20 0.00 -0.69 0.00 0.00 178.15 178.38 2k3y h ALA 106 N 1.11 0.92 0.10 1.87 0.00 -0.18 0.15 119.26 123.23 2k3y h ALA 106 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k3y h ALA 106 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k3y h ALA 106 CO 0.11 0.61 -0.10 1.98 0.00 0.00 0.00 179.25 181.85 2k3y h MET 107 N 1.04 -0.21 -0.33 0.00 1.85 -1.17 -1.56 114.93 114.55 2k3y h MET 107 Ca 0.22 0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.39 2k3y h MET 107 Cb 0.32 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.35 2k3y h MET 107 CO -0.00 -0.14 -0.02 -0.22 -0.40 0.00 0.00 176.91 176.12 2k3y h LYS 108 N -0.22 0.06 -0.06 0.39 3.64 0.02 -0.81 116.57 119.60 2k3y h LYS 108 Ca 0.00 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2k3y h LYS 108 Cb 0.21 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2k3y h LYS 108 CO -0.03 0.04 -0.46 1.57 -2.27 0.00 0.00 179.45 178.31 2k3y h LYS 109 N 0.06 0.41 -0.71 1.90 2.10 -0.68 0.19 116.57 119.84 2k3y h LYS 109 Ca 0.16 -0.37 0.16 0.00 -2.00 0.00 0.00 60.65 58.60 2k3y h LYS 109 Cb 0.22 0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.60 2k3y h LYS 109 CO -0.29 1.01 0.49 -0.09 -2.00 0.00 0.00 179.45 178.57 2k3y h ARG 110 N -0.07 0.26 0.06 0.07 1.12 -1.08 -0.05 114.38 114.68 2k3y h ARG 110 Ca -0.04 -0.02 -0.24 0.00 -1.11 0.00 0.00 59.98 58.57 2k3y h ARG 110 Cb 1.13 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 31.01 2k3y h ARG 110 CO 0.09 0.17 -1.29 -0.07 -3.11 0.00 0.00 179.97 175.77 2k3y h LEU 111 N 0.27 0.18 -2.00 3.80 3.38 -0.92 -3.33 115.31 116.70 2k3y h LEU 111 Ca 0.35 -0.73 0.28 0.00 0.09 0.00 0.00 57.88 57.86 2k3y h LEU 111 Cb 0.97 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2k3y h LEU 111 CO -0.08 1.54 0.69 0.00 0.09 0.00 0.00 178.44 180.67 2k3y h ALA 112 N -0.22 2.90 -0.26 1.53 0.00 -0.40 0.19 119.26 123.01 2k3y h ALA 112 Ca -0.31 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2k3y h ALA 112 Cb 1.53 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2k3y h ALA 112 CO -0.06 -1.18 -0.15 -0.97 0.00 0.00 0.00 179.25 176.89 2k3y h ASN 113 N 0.00 0.43 -0.00 0.00 -1.24 -1.11 -3.33 115.58 110.32 2k3y h ASN 113 Ca 0.45 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2k3y h ASN 113 Cb 1.83 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.76 2k3y h ASN 113 CO -0.00 0.60 -0.03 -1.84 -1.29 0.00 0.00 177.43 174.87 2k3y n GLU 114 N -4.20 1.22 -0.34 6.67 0.28 0.14 -4.78 120.64 119.63 2k3y n GLU 114 Ca 0.00 -0.46 0.21 0.00 -0.16 0.00 0.00 57.16 56.75 2k3y n GLU 114 Cb 0.33 -0.92 0.45 0.00 1.43 0.00 0.00 31.44 32.73 2k3y n GLU 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3y h ALA 115 N 0.39 2.01 -0.74 -1.84 0.00 -0.86 -3.48 119.26 114.74 2k3y h ALA 115 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k3y h ALA 115 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k3y h ALA 115 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.19 2k3y n GLY 116 N -1.38 0.36 3.18 0.00 0.00 -1.26 -4.66 105.19 101.42 2k3y n GLY 116 Ca 0.27 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 2k3y n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 117 N -4.00 -0.03 0.71 1.61 0.01 -1.26 -5.03 113.70 105.70 2k3y s SER 117 Ca 0.00 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 2k3y s SER 117 Cb 0.00 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.53 2k3y s SER 117 CO 0.00 -0.48 1.18 -0.89 0.41 0.00 0.00 173.24 173.46 2k3y s THR 118 N -1.94 2.54 0.00 1.44 2.01 -1.26 -5.04 115.64 113.38 2k3y s THR 118 Ca -0.10 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2k3y s THR 118 Cb -0.04 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2k3y s THR 118 CO -0.00 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 2k3y n GLY 119 N 0.20 2.13 1.37 4.40 0.00 -1.26 -5.04 105.19 106.98 2k3y n GLY 119 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2k3y n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 120 N -0.87 2.66 -4.00 1.61 7.64 -1.26 -4.70 113.62 114.70 2k3y n SER 120 Ca 0.00 -1.59 -0.11 0.00 1.01 0.00 0.00 58.87 58.19 2k3y n SER 120 Cb 0.00 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3y s ALA 121 N 0.57 0.27 -0.68 -0.43 0.00 -1.26 -5.06 121.76 115.18 2k3y s ALA 121 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2k3y s ALA 121 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2k3y s ALA 121 CO 0.00 -0.09 0.55 -0.35 0.00 0.00 0.00 175.76 175.87 2k3y n PRO 122 N 1.69 0.83 -2.03 0.00 -0.04 -1.26 -4.91 135.00 129.29 2k3y n PRO 122 Ca -0.22 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.87 2k3y n PRO 122 Cb 0.55 -1.31 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3y s ALA 123 N -0.62 2.62 0.00 0.55 0.00 -1.26 -4.96 121.76 118.09 2k3y s ALA 123 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2k3y s ALA 123 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2k3y s ALA 123 CO 0.00 -1.11 0.01 0.25 0.00 0.00 0.00 175.76 174.91 2k3y n THR 124 N -1.42 0.00 -0.99 0.00 -2.24 -1.26 -4.93 114.28 103.44 2k3y n THR 124 Ca 0.13 -0.15 -0.19 0.00 -2.27 0.00 0.00 64.05 61.56 2k3y n THR 124 Cb 0.49 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.66 2k3y n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3y n GLY 125 N 0.28 3.21 0.06 3.38 0.00 -1.26 -3.14 105.19 107.72 2k3y n GLY 125 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2k3y n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 126 N 2.94 0.09 0.00 -0.02 0.00 -1.26 -4.97 105.19 101.97 2k3y n GLY 126 Ca 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2k3y n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k3y n VAL 127 N -0.98 0.00 -3.30 1.61 0.31 -1.19 -4.36 118.33 110.43 2k3y n VAL 127 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2k3y n VAL 127 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2k3y n VAL 127 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k3y s LYS 129 N 1.04 0.22 0.00 5.55 -0.14 -1.26 -4.74 119.74 120.41 2k3y s LYS 129 Ca 0.00 0.51 0.26 0.00 -1.36 0.00 0.00 55.97 55.38 2k3y s LYS 129 Cb 0.00 0.30 0.69 0.00 -1.68 0.00 0.00 37.83 37.15 2k3y s LYS 129 CO 0.00 -0.11 1.53 -0.35 -0.76 0.00 0.00 175.35 175.66 2k3y n PRO 130 N 4.98 0.82 -3.83 -1.68 -0.04 -1.26 -4.91 135.00 129.09 2k3y n PRO 130 Ca -0.08 -0.50 -0.13 0.00 -0.04 0.00 0.00 63.50 62.75 2k3y n PRO 130 Cb 0.53 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 2k3y n PRO 130 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2k3y s HIS 131 N -2.52 -0.07 0.00 0.54 5.65 -1.26 -5.11 115.29 112.52 2k3y s HIS 131 Ca 0.23 0.20 0.00 0.00 0.25 0.00 0.00 55.06 55.74 2k3y s HIS 131 Cb 0.19 -0.02 0.00 0.00 -1.18 0.00 0.00 32.58 31.57 2k3y s HIS 131 CO 0.53 -0.05 0.00 0.54 -0.65 0.00 0.00 174.74 175.11 2k3y n ARG 132 N 3.29 0.00 -3.88 2.88 1.74 -1.26 -5.19 116.66 114.24 2k3y n ARG 132 Ca -0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 2k3y n ARG 132 Cb 0.58 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.94 2k3y n ARG 132 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2k3y s TYR 133 N -2.22 0.15 -2.00 -1.55 2.02 -1.26 -5.17 117.35 107.32 2k3y s TYR 133 Ca 0.00 -0.50 0.11 0.00 -0.37 0.00 0.00 57.07 56.31 2k3y s TYR 133 Cb 0.00 -0.08 0.68 0.00 -0.40 0.00 0.00 41.96 42.16 2k3y s TYR 133 CO 0.00 -0.47 1.12 0.54 -1.57 0.00 0.00 175.55 175.17