#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 -0.01 0.20 1.12 0.11 -1.26 -5.05 120.40 115.52 2k3y s VAL 2 Ca 0.00 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2k3y s VAL 2 Cb 0.00 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 2k3y s VAL 2 CO 0.00 0.01 0.00 -0.67 -3.33 0.00 0.00 175.10 171.11 2k3y n ASP 3 N 3.18 -1.84 0.06 3.54 2.03 -1.26 -4.99 116.55 117.28 2k3y n ASP 3 Ca -0.15 0.42 -0.21 0.00 0.52 0.00 0.00 54.79 55.37 2k3y n ASP 3 Cb 0.57 1.96 -0.13 0.00 -0.72 0.00 0.00 41.12 42.79 2k3y n ASP 3 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2k3y h LEU 4 N 0.00 0.70 -2.22 -2.67 7.12 -1.96 -3.24 115.31 113.03 2k3y h LEU 4 Ca 0.00 -0.85 -0.01 0.00 0.13 0.00 0.00 57.88 57.15 2k3y h LEU 4 Cb 0.00 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 39.91 2k3y h LEU 4 CO 0.00 1.47 -0.05 -0.33 -0.13 0.00 0.00 178.44 179.40 2k3y h GLU 5 N 0.02 0.00 -0.77 1.25 5.08 -1.94 -0.46 114.58 117.76 2k3y h GLU 5 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k3y h GLU 5 Cb 1.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.93 2k3y h GLU 5 CO 0.19 0.05 0.49 0.37 -1.00 0.00 0.00 179.01 179.12 2k3y h GLN 6 N 0.00 1.03 -6.97 2.33 4.15 -1.78 -3.35 115.11 110.51 2k3y h GLN 6 Ca -0.00 -0.07 -0.47 0.00 0.77 0.00 0.00 58.65 58.88 2k3y h GLN 6 Cb 0.23 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2k3y h GLN 6 CO 0.01 0.70 0.25 -1.21 -1.93 0.00 0.00 178.83 176.65 2k3y s GLU 7 N -5.84 4.05 0.10 1.69 2.02 -0.18 -4.41 118.70 116.13 2k3y s GLU 7 Ca -0.11 0.88 -0.33 0.00 0.02 0.00 0.00 54.97 55.43 2k3y s GLU 7 Cb 0.18 -2.26 -0.12 0.00 0.10 0.00 0.00 34.13 32.02 2k3y s GLU 7 CO 0.79 -0.04 1.75 1.97 0.02 0.00 0.00 175.26 179.76 2k3y n PHE 8 N -0.86 2.47 -5.15 1.61 1.16 -1.26 -4.72 117.46 110.71 2k3y n PHE 8 Ca 0.05 0.03 -0.30 0.00 -1.87 0.00 0.00 57.45 55.36 2k3y n PHE 8 Cb 0.54 -2.65 -0.17 0.00 -1.61 0.00 0.00 39.48 35.59 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 2.27 2.01 -1.12 1.98 0.00 -1.26 -5.02 121.76 120.61 2k3y s ALA 9 Ca 0.82 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2k3y s ALA 9 Cb -0.59 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2k3y s ALA 9 CO 0.40 0.35 0.87 1.28 0.00 0.00 0.00 175.76 178.66 2k3y n LEU 10 N 3.15 0.00 -1.33 0.00 4.77 -1.26 -1.31 117.00 121.02 2k3y n LEU 10 Ca -0.18 0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 2k3y n LEU 10 Cb 0.52 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2k3y n LEU 10 CO 0.26 -0.38 0.34 0.61 -1.33 0.00 0.00 177.39 176.89 2k3y n GLY 11 N -1.37 0.80 0.00 -0.72 0.00 -1.26 -4.34 105.19 98.30 2k3y n GLY 11 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.16 -0.70 3.88 -0.02 0.00 -0.42 -5.01 105.19 102.75 2k3y n GLY 12 Ca -0.22 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.79 3.25 0.27 1.61 0.52 -1.26 -4.43 118.95 118.12 2k3y s ARG 13 Ca 0.00 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2k3y s ARG 13 Cb 0.00 -2.89 -0.06 0.00 0.52 0.00 0.00 34.95 32.52 2k3y s ARG 13 CO 0.00 0.55 -0.01 0.14 0.02 0.00 0.00 175.30 176.00 2k3y s VAL 14 N -1.62 1.29 -0.00 3.52 -7.23 -0.65 -0.54 120.40 115.18 2k3y s VAL 14 Ca 0.33 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2k3y s VAL 14 Cb -0.12 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 2k3y s VAL 14 CO 0.26 -0.24 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.01 2k3y s LEU 15 N -3.40 2.02 -0.10 1.32 1.43 0.11 -0.51 118.68 119.56 2k3y s LEU 15 Ca 0.31 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 2k3y s LEU 15 Cb 0.06 -0.24 0.02 0.00 0.03 0.00 0.00 46.19 46.06 2k3y s LEU 15 CO 0.11 0.04 -0.10 0.00 0.23 0.00 0.00 176.35 176.63 2k3y s ALA 16 N -0.18 1.36 0.12 4.21 0.00 -0.56 -0.80 121.76 125.91 2k3y s ALA 16 Ca 0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 2k3y s ALA 16 Cb -0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 23.12 22.26 2k3y s ALA 16 CO -0.00 -0.17 1.18 0.12 0.00 0.00 0.00 175.76 176.88 2k3y s PHE 17 N 1.21 3.47 0.00 0.00 5.36 -0.79 -1.46 117.98 125.77 2k3y s PHE 17 Ca -0.04 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 2k3y s PHE 17 Cb -0.14 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 2k3y s PHE 17 CO -0.03 -1.10 0.49 0.72 -1.46 0.00 0.00 175.22 173.83 2k3y n HIS 18 N 3.25 0.00 0.00 10.12 8.25 0.36 -4.71 115.22 132.48 2k3y n HIS 18 Ca 0.06 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2k3y n HIS 18 Cb 0.46 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.01 1.27 0.19 -1.41 0.00 -1.26 -4.82 105.19 99.15 2k3y n GLY 19 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 0.00 1.61 0.13 -1.98 -3.48 132.00 128.29 2k3y h PRO 20 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2k3y h PRO 20 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k3y h PRO 20 CO 0.00 0.37 0.00 -0.11 -0.23 0.00 0.00 178.00 178.03 2k3y n LEU 21 N -3.56 0.00 -3.88 1.56 0.00 -1.26 -5.03 117.00 104.83 2k3y n LEU 21 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 56.01 55.73 2k3y n LEU 21 Cb 0.50 0.19 -0.10 0.00 0.00 0.00 0.00 43.42 44.00 2k3y n LEU 21 CO 0.37 -0.05 -0.20 -0.32 0.00 0.00 0.00 177.39 177.19 2k3y s MET 22 N -2.03 0.44 0.26 1.96 -2.45 -1.26 -0.49 119.30 115.73 2k3y s MET 22 Ca 0.01 -0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.09 2k3y s MET 22 Cb -0.00 0.18 -0.04 0.00 1.25 0.00 0.00 34.83 36.22 2k3y s MET 22 CO 0.01 -0.10 0.17 0.71 1.05 0.00 0.00 175.02 176.86 2k3y s TYR 23 N -1.29 1.43 0.25 4.11 2.02 -0.54 -4.97 117.35 118.36 2k3y s TYR 23 Ca -0.14 -1.43 -0.21 0.00 -0.37 0.00 0.00 57.07 54.92 2k3y s TYR 23 Cb -0.07 -0.69 -0.09 0.00 -0.40 0.00 0.00 41.96 40.71 2k3y s TYR 23 CO 0.01 -0.65 0.77 -1.21 -1.57 0.00 0.00 175.55 172.90 2k3y s GLU 24 N -3.90 4.30 0.07 -0.62 8.01 -1.26 -1.50 118.70 123.80 2k3y s GLU 24 Ca 0.39 0.95 0.02 0.00 0.01 0.00 0.00 54.97 56.33 2k3y s GLU 24 Cb 0.05 -2.83 -0.03 0.00 -4.31 0.00 0.00 34.13 27.01 2k3y s GLU 24 CO 0.17 0.36 -0.07 0.00 0.01 0.00 0.00 175.26 175.72 2k3y s ALA 25 N -1.57 0.81 -0.28 5.21 0.00 0.34 -1.15 121.76 125.12 2k3y s ALA 25 Ca 0.45 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 2k3y s ALA 25 Cb -0.17 0.10 0.12 0.00 0.00 0.00 0.00 23.12 23.18 2k3y s ALA 25 CO 0.21 -0.13 0.25 0.21 0.00 0.00 0.00 175.76 176.30 2k3y s LYS 26 N -2.77 0.27 0.69 0.00 2.20 -0.58 -1.63 119.74 117.93 2k3y s LYS 26 Ca 0.02 -0.19 -0.16 0.00 -0.36 0.00 0.00 55.97 55.27 2k3y s LYS 26 Cb -0.02 -0.85 0.00 0.00 -1.51 0.00 0.00 37.83 35.45 2k3y s LYS 26 CO -0.02 -0.98 1.05 -0.89 -0.36 0.00 0.00 175.35 174.15 2k3y n ILE 27 N 5.30 3.35 0.00 5.43 5.41 -1.26 -1.43 119.36 136.17 2k3y n ILE 27 Ca -0.03 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2k3y n ILE 27 Cb 0.46 -1.19 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 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 -1.70 0.00 -3.98 1.39 -0.00 -0.76 -4.59 117.00 107.36 2k3y n LEU 28 Ca 0.14 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.94 2k3y n LEU 28 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.75 2k3y n LEU 28 CO 0.48 0.00 -0.43 -0.75 -0.00 0.00 0.00 177.39 176.69 2k3y s LYS 29 N -0.98 1.02 0.10 1.47 2.20 -1.23 -1.54 119.74 120.77 2k3y s LYS 29 Ca 0.00 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 2k3y s LYS 29 Cb 0.00 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 35.34 2k3y s LYS 29 CO 0.00 0.06 -0.03 0.96 -0.36 0.00 0.00 175.35 175.98 2k3y s ILE 30 N 0.40 0.48 0.02 5.43 -4.36 0.46 -0.44 121.20 123.20 2k3y s ILE 30 Ca -0.06 -1.91 -0.08 0.00 -0.26 0.00 0.00 60.65 58.34 2k3y s ILE 30 Cb -0.11 -1.76 0.00 0.00 1.25 0.00 0.00 42.46 41.85 2k3y s ILE 30 CO 0.01 -0.79 0.17 0.86 0.24 0.00 0.00 174.94 175.43 2k3y s TRP 31 N -3.77 0.04 -0.10 1.37 -0.11 -0.09 -1.25 118.94 115.03 2k3y s TRP 31 Ca 0.14 -0.18 -0.13 0.00 1.22 0.00 0.00 56.10 57.16 2k3y s TRP 31 Cb 0.06 -0.04 0.03 0.00 -1.50 0.00 0.00 33.47 32.02 2k3y s TRP 31 CO -0.04 -0.35 0.33 0.34 -4.62 0.00 0.00 176.95 172.62 2k3y s ASP 32 N -1.67 -0.31 0.07 5.86 -1.08 -1.26 -1.55 116.67 116.72 2k3y s ASP 32 Ca -0.11 0.53 0.15 0.00 -0.52 0.00 0.00 52.55 52.61 2k3y s ASP 32 Cb -0.05 0.60 0.66 0.00 -1.46 0.00 0.00 42.92 42.67 2k3y s ASP 32 CO -0.00 -0.20 1.48 -0.81 0.52 0.00 0.00 175.17 176.16 2k3y n PRO 33 N 2.47 0.05 -0.07 4.34 -0.04 -1.25 -2.82 135.00 137.69 2k3y n PRO 33 Ca -0.15 0.32 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2k3y n PRO 33 Cb 0.57 -1.59 0.28 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.63 0.00 3.54 0.02 -1.94 -3.15 113.55 112.65 2k3y h SER 34 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k3y h SER 34 Cb 0.25 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k3y h SER 34 CO 0.00 0.59 0.00 -1.20 -1.14 0.00 0.00 176.83 175.08 2k3y n SER 35 N -4.33 0.81 -4.13 3.07 7.64 -1.25 -5.04 113.62 110.37 2k3y n SER 35 Ca 0.03 -1.26 -0.39 0.00 1.01 0.00 0.00 58.87 58.27 2k3y n SER 35 Cb 0.17 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.13 -0.77 -3.69 1.43 5.02 -1.13 -4.97 118.16 113.94 2k3y n LYS 36 Ca 0.00 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.31 2k3y n LYS 36 Cb 0.23 -3.13 -0.05 0.00 -0.02 0.00 0.00 35.03 32.06 2k3y n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k3y s MET 37 N -7.28 1.08 0.41 1.97 0.23 -1.26 -4.69 119.30 109.77 2k3y s MET 37 Ca 0.28 -0.78 0.08 0.00 -1.03 0.00 0.00 55.69 54.25 2k3y s MET 37 Cb -0.15 0.46 -0.00 0.00 -1.53 0.00 0.00 34.83 33.60 2k3y s MET 37 CO 0.97 -0.42 0.48 1.52 -2.03 0.00 0.00 175.02 175.55 2k3y s TYR 38 N -3.83 2.78 0.00 3.16 1.13 -1.20 -4.06 117.35 115.33 2k3y s TYR 38 Ca 0.05 -0.43 -0.02 0.00 -1.41 0.00 0.00 57.07 55.25 2k3y s TYR 38 Cb 0.02 -2.27 -0.01 0.00 -1.10 0.00 0.00 41.96 38.60 2k3y s TYR 38 CO -0.10 -0.28 0.03 0.95 -2.51 0.00 0.00 175.55 173.64 2k3y s THR 39 N -2.40 0.07 0.08 -3.49 -4.23 -0.38 -3.89 115.64 101.40 2k3y s THR 39 Ca 0.52 -0.55 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 2k3y s THR 39 Cb -0.07 -0.23 0.01 0.00 1.34 0.00 0.00 72.50 73.55 2k3y s THR 39 CO 0.31 -0.30 0.23 -0.44 -0.54 0.00 0.00 174.62 173.88 2k3y s SER 40 N -0.93 0.03 0.19 3.99 0.01 -1.26 -0.40 113.70 115.33 2k3y s SER 40 Ca -0.10 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.69 2k3y s SER 40 Cb -0.06 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 2k3y s SER 40 CO -0.00 -0.70 -0.05 0.27 0.41 0.00 0.00 173.24 173.16 2k3y s ILE 41 N -3.48 1.08 -0.16 1.44 -4.36 -0.59 -1.18 121.20 113.95 2k3y s ILE 41 Ca 0.02 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.35 2k3y s ILE 41 Cb 0.03 -2.09 0.04 0.00 1.25 0.00 0.00 42.46 41.68 2k3y s ILE 41 CO -0.09 -0.54 2.35 -0.81 0.24 0.00 0.00 174.94 176.09 2k3y n PRO 42 N -0.30 1.58 0.03 0.37 -0.04 -1.24 -4.47 135.00 130.93 2k3y n PRO 42 Ca -0.08 -0.94 0.07 0.00 -0.04 0.00 0.00 63.50 62.51 2k3y n PRO 42 Cb 0.62 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 32.91 2k3y n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3y n ASN 43 N 1.20 0.13 -2.44 3.54 5.15 -1.26 -4.79 115.26 116.79 2k3y n ASN 43 Ca 0.22 0.54 -0.07 0.00 -0.60 0.00 0.00 54.58 54.66 2k3y n ASN 43 Cb 0.60 -0.56 0.02 0.00 -0.53 0.00 0.00 39.78 39.31 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k3y n ASP 44 N -1.65 -1.83 -3.64 1.20 -0.08 -1.26 -5.04 116.55 104.25 2k3y n ASP 44 Ca 0.03 -2.29 -0.29 0.00 -1.51 0.00 0.00 54.79 50.73 2k3y n ASP 44 Cb 0.16 3.05 -0.12 0.00 2.34 0.00 0.00 41.12 46.55 2k3y n ASP 44 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2k3y s LYS 45 N -2.09 1.21 0.00 -0.67 2.20 -1.26 -4.70 119.74 114.42 2k3y s LYS 45 Ca 0.13 -2.03 0.06 0.00 -0.36 0.00 0.00 55.97 53.77 2k3y s LYS 45 Cb -0.04 -2.12 0.29 0.00 -1.51 0.00 0.00 37.83 34.46 2k3y s LYS 45 CO 0.10 -1.22 1.05 -0.35 -0.36 0.00 0.00 175.35 174.57 2k3y n PRO 46 N 3.37 0.07 0.00 4.03 -0.04 -1.26 -4.66 135.00 136.52 2k3y n PRO 46 Ca 0.13 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2k3y n PRO 46 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2k3y n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k3y n GLY 47 N -0.79 0.97 0.00 0.55 0.00 -1.26 -4.92 105.19 99.73 2k3y n GLY 47 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.64 3.76 -0.02 0.00 -1.26 -5.14 105.19 103.17 2k3y n GLY 48 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 5.62 0.41 1.61 0.01 -1.26 -4.76 113.70 115.34 2k3y s SER 49 Ca 0.00 2.69 0.00 0.00 1.31 0.00 0.00 55.95 59.95 2k3y s SER 49 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2k3y s SER 49 CO 0.00 -1.33 0.00 -1.20 0.41 0.00 0.00 173.24 171.12 2k3y n SER 50 N -0.70 -5.73 0.00 2.44 7.64 -1.26 -4.57 113.62 111.43 2k3y n SER 50 Ca 0.08 1.23 0.15 0.00 1.01 0.00 0.00 58.87 61.34 2k3y n SER 50 Cb 0.45 -3.26 0.60 0.00 -1.01 0.00 0.00 64.21 60.99 2k3y n SER 50 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k3y h GLN 51 N -0.16 0.17 -1.62 1.43 4.15 -1.94 -3.46 115.11 113.69 2k3y h GLN 51 Ca -0.04 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.14 2k3y h GLN 51 Cb 0.74 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.31 2k3y h GLN 51 CO 0.01 0.11 -0.22 0.00 -1.93 0.00 0.00 178.83 176.81 2k3y n ALA 52 N -2.57 -0.21 -3.47 3.38 0.00 -1.26 -4.90 120.51 111.48 2k3y n ALA 52 Ca 0.08 0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 2k3y n ALA 52 Cb 0.43 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 2k3y n ALA 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k3y s THR 53 N -2.00 -0.30 0.00 0.00 2.01 -1.26 -4.74 115.64 109.35 2k3y s THR 53 Ca 0.00 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.60 2k3y s THR 53 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2k3y s THR 53 CO 0.00 -0.42 0.00 0.29 -0.69 0.00 0.00 174.62 173.80 2k3y n LYS 54 N 5.30 0.00 -1.74 4.92 5.02 -1.26 -4.36 118.16 126.05 2k3y n LYS 54 Ca -0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 2k3y n LYS 54 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.45 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 0.00 4.10 0.19 1.97 2.12 -1.26 -3.59 118.70 122.23 2k3y s GLU 55 Ca 0.00 2.50 -0.24 0.00 0.36 0.00 0.00 54.97 57.59 2k3y s GLU 55 Cb 0.00 -4.14 -0.08 0.00 0.26 0.00 0.00 34.13 30.17 2k3y s GLU 55 CO 0.00 -0.99 0.78 0.42 -0.54 0.00 0.00 175.26 174.92 2k3y s ILE 56 N 4.57 4.40 0.04 -3.70 1.01 -0.32 -5.00 121.20 122.18 2k3y s ILE 56 Ca 0.86 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 62.82 2k3y s ILE 56 Cb -0.40 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 2k3y s ILE 56 CO 0.39 0.43 1.50 -0.54 0.00 0.00 0.00 174.94 176.72 2k3y s LYS 57 N -1.40 4.25 0.19 2.79 1.02 -1.26 -4.26 119.74 121.07 2k3y s LYS 57 Ca 0.38 2.12 -0.30 0.00 0.02 0.00 0.00 55.97 58.20 2k3y s LYS 57 Cb -0.21 -3.56 -0.08 0.00 -0.52 0.00 0.00 37.83 33.46 2k3y s LYS 57 CO 0.25 -0.63 1.21 -1.25 -0.92 0.00 0.00 175.35 174.01 2k3y s PRO 58 N 2.40 4.48 0.07 -1.68 0.04 -1.26 -4.96 135.00 134.09 2k3y s PRO 58 Ca 0.68 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.63 2k3y s PRO 58 Cb -0.35 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2k3y s PRO 58 CO 0.29 -0.11 -0.06 -0.65 0.04 0.00 0.00 177.00 176.52 2k3y s GLN 59 N -0.24 0.69 0.00 4.56 -0.21 -1.25 -4.94 119.66 118.27 2k3y s GLN 59 Ca 0.53 -1.14 0.07 0.00 0.02 0.00 0.00 55.36 54.84 2k3y s GLN 59 Cb -0.33 -0.11 0.35 0.00 1.00 0.00 0.00 33.01 33.92 2k3y s GLN 59 CO 0.37 -0.03 1.13 1.63 -2.12 0.00 0.00 175.29 176.27 2k3y n LYS 60 N 0.41 0.08 -0.65 2.91 4.76 -1.26 -3.24 118.16 121.16 2k3y n LYS 60 Ca -0.16 0.26 0.01 0.00 -2.87 0.00 0.00 58.31 55.56 2k3y n LYS 60 Cb 0.59 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 2k3y n LYS 60 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k3y n LEU 61 N -1.34 -0.65 0.00 -0.35 0.00 -1.26 -4.77 117.00 108.62 2k3y n LEU 61 Ca 0.03 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.20 2k3y n LEU 61 Cb 0.06 -0.82 0.00 0.00 0.00 0.00 0.00 43.42 42.66 2k3y n LEU 61 CO 0.06 -0.44 0.00 0.61 0.00 0.00 0.00 177.39 177.62 2k3y n GLY 62 N -2.14 1.97 0.14 -3.96 0.00 -1.26 -5.04 105.19 94.90 2k3y n GLY 62 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.43 0.00 1.61 5.08 -2.02 -3.46 114.58 116.22 2k3y h GLU 63 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 2k3y h GLU 63 Cb 0.00 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k3y h GLU 63 CO 0.00 1.35 0.00 -3.47 -1.00 0.00 0.00 179.01 175.89 2k3y n ASP 64 N -3.67 0.00 -2.40 1.42 2.03 -1.26 -5.01 116.55 107.66 2k3y n ASP 64 Ca -0.22 -0.84 -0.23 0.00 0.52 0.00 0.00 54.79 54.02 2k3y n ASP 64 Cb 1.07 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.48 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3y n GLU 65 N 0.00 3.17 -0.85 -0.67 0.00 -1.26 -5.08 120.64 115.95 2k3y n GLU 65 Ca 0.00 -4.26 -0.30 0.00 0.00 0.00 0.00 57.16 52.61 2k3y n GLU 65 Cb 0.21 -2.13 -0.02 0.00 0.00 0.00 0.00 31.44 29.50 2k3y n GLU 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2k3y n SER 66 N -0.50 -0.71 -3.90 -1.84 7.64 -1.26 -4.71 113.62 108.34 2k3y n SER 66 Ca 0.36 0.69 -0.18 0.00 1.01 0.00 0.00 58.87 60.75 2k3y n SER 66 Cb 0.76 -0.57 -0.16 0.00 -1.01 0.00 0.00 64.21 63.23 2k3y n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2k3y s ILE 67 N -0.56 0.39 0.82 0.44 -4.36 -1.26 -4.87 121.20 111.80 2k3y s ILE 67 Ca 0.40 -0.11 -0.11 0.00 -0.26 0.00 0.00 60.65 60.57 2k3y s ILE 67 Cb -0.58 -0.40 0.08 0.00 1.25 0.00 0.00 42.46 42.81 2k3y s ILE 67 CO 0.34 0.16 1.09 -2.16 0.24 0.00 0.00 174.94 174.61 2k3y s PRO 68 N 0.55 1.87 0.35 0.37 0.04 -1.26 -4.80 135.00 132.11 2k3y s PRO 68 Ca -0.06 1.00 0.21 0.00 0.04 0.00 0.00 61.00 62.19 2k3y s PRO 68 Cb -0.10 -1.86 1.15 0.00 0.04 0.00 0.00 34.50 33.73 2k3y s PRO 68 CO -0.00 -1.87 1.63 0.93 0.04 0.00 0.00 177.00 177.72 2k3y h GLU 69 N -1.29 0.00 -0.01 4.56 5.08 -2.01 -1.04 114.58 119.87 2k3y h GLU 69 Ca -0.46 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.83 2k3y h GLU 69 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2k3y h GLU 69 CO 0.53 0.00 -0.30 0.93 -1.00 0.00 0.00 179.01 179.17 2k3y h GLU 70 N 0.00 0.03 0.00 2.33 4.39 -2.00 -3.23 114.58 116.09 2k3y h GLU 70 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k3y h GLU 70 Cb 0.15 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2k3y h GLU 70 CO 0.00 0.33 0.00 0.44 -1.16 0.00 0.00 179.01 178.62 2k3y n ILE 71 N -4.17 0.00 -0.08 3.13 -5.35 -0.44 -4.46 119.36 107.99 2k3y n ILE 71 Ca -0.02 -0.46 -0.08 0.00 -0.27 0.00 0.00 62.75 61.92 2k3y n ILE 71 Cb 0.35 1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 39.25 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 0.97 0.00 7.28 1.08 -1.54 -2.96 117.51 122.35 2k3y h ILE 72 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2k3y h ILE 72 Cb 0.00 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 2k3y h ILE 72 CO 0.00 0.05 0.00 0.59 -0.69 0.00 0.00 178.15 178.10 2k3y n ASN 73 N -4.98 0.00 -3.20 1.72 3.02 -1.22 -3.75 115.26 106.85 2k3y n ASN 73 Ca -0.01 -1.82 -0.14 0.00 -0.03 0.00 0.00 54.58 52.58 2k3y n ASN 73 Cb 0.08 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2k3y n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k3y s GLY 74 N -1.14 1.33 0.19 7.41 0.00 -1.12 -4.79 107.32 109.19 2k3y s GLY 74 Ca 0.05 -1.40 -0.31 0.00 0.00 0.00 0.00 44.72 43.05 2k3y s GLY 74 CO 0.04 -0.90 1.54 0.54 0.00 0.00 0.00 173.10 174.33 2k3y s LYS 75 N -2.95 4.22 0.05 2.90 -0.14 -1.26 -4.23 119.74 118.33 2k3y s LYS 75 Ca 0.28 2.36 0.01 0.00 -1.36 0.00 0.00 55.97 57.27 2k3y s LYS 75 Cb -0.01 -3.14 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 2k3y s LYS 75 CO 0.19 -0.57 -0.06 -1.12 -0.76 0.00 0.00 175.35 173.03 2k3y s SER 76 N 0.95 0.75 -0.12 2.83 0.01 -0.60 -4.27 113.70 113.25 2k3y s SER 76 Ca 0.68 -0.65 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 2k3y s SER 76 Cb -0.44 0.07 0.05 0.00 0.21 0.00 0.00 66.02 65.91 2k3y s SER 76 CO 0.35 -0.30 0.06 -0.36 0.41 0.00 0.00 173.24 173.40 2k3y s PHE 77 N -1.98 0.29 -0.09 2.43 0.08 -0.90 -0.92 117.98 116.90 2k3y s PHE 77 Ca -0.06 -0.16 -0.28 0.00 0.12 0.00 0.00 56.93 56.54 2k3y s PHE 77 Cb -0.06 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 2k3y s PHE 77 CO -0.02 -0.39 0.95 0.12 -0.10 0.00 0.00 175.22 175.78 2k3y s PHE 78 N 2.10 3.54 0.05 0.36 5.36 0.42 -1.60 117.98 128.20 2k3y s PHE 78 Ca 0.03 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 2k3y s PHE 78 Cb -0.14 -3.11 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 2k3y s PHE 78 CO -0.06 -0.15 -0.05 0.96 -1.46 0.00 0.00 175.22 174.46 2k3y s ILE 79 N 1.68 0.34 -0.25 3.12 -4.36 -0.86 -1.82 121.20 119.04 2k3y s ILE 79 Ca 0.47 -1.41 -0.10 0.00 -0.26 0.00 0.00 60.65 59.34 2k3y s ILE 79 Cb -0.19 -0.98 -0.05 0.00 1.25 0.00 0.00 42.46 42.49 2k3y s ILE 79 CO 0.19 -0.70 0.16 -2.28 0.24 0.00 0.00 174.94 172.56 2k3y s HIS 80 N -2.61 3.27 -0.28 1.37 5.65 -0.51 -3.44 115.29 118.73 2k3y s HIS 80 Ca -0.02 0.16 -0.29 0.00 0.25 0.00 0.00 55.06 55.16 2k3y s HIS 80 Cb -0.02 -2.30 -0.02 0.00 -1.18 0.00 0.00 32.58 29.07 2k3y s HIS 80 CO -0.04 -0.03 1.60 0.71 -0.65 0.00 0.00 174.74 176.33 2k3y s TYR 81 N 1.31 2.14 0.44 3.88 2.02 -1.26 -1.53 117.35 124.35 2k3y s TYR 81 Ca 0.07 0.61 -0.22 0.00 -0.37 0.00 0.00 57.07 57.16 2k3y s TYR 81 Cb -0.14 -4.06 -0.09 0.00 -0.40 0.00 0.00 41.96 37.26 2k3y s TYR 81 CO 0.07 -2.68 1.03 -0.65 -1.57 0.00 0.00 175.55 171.75 2k3y s GLN 82 N 4.89 4.01 0.00 -0.62 -0.21 -0.30 -2.33 119.66 125.10 2k3y s GLN 82 Ca 0.70 1.39 0.00 0.00 0.02 0.00 0.00 55.36 57.48 2k3y s GLN 82 Cb -0.22 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.50 2k3y s GLN 82 CO 0.30 -0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.63 2k3y n GLY 83 N -0.04 0.23 3.35 3.09 0.00 -1.26 -4.47 105.19 106.09 2k3y n GLY 83 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.54 1.63 0.71 1.61 0.52 -0.98 -5.15 118.94 115.74 2k3y s TRP 84 Ca 0.00 -1.14 -0.11 0.00 0.02 0.00 0.00 56.10 54.87 2k3y s TRP 84 Cb 0.00 -0.98 0.02 0.00 -1.15 0.00 0.00 33.47 31.36 2k3y s TRP 84 CO 0.00 -0.27 1.07 0.15 0.02 0.00 0.00 176.95 177.92 2k3y s LYS 85 N -3.99 2.78 0.23 4.98 1.02 -1.26 -4.83 119.74 118.66 2k3y s LYS 85 Ca 0.37 1.02 0.24 0.00 0.02 0.00 0.00 55.97 57.63 2k3y s LYS 85 Cb 0.08 -1.97 0.92 0.00 -0.52 0.00 0.00 37.83 36.34 2k3y s LYS 85 CO 0.14 -1.23 1.73 0.43 -0.92 0.00 0.00 175.35 175.51 2k3y n SER 86 N -3.18 0.68 -0.04 2.83 7.64 -1.26 -3.04 113.62 117.25 2k3y n SER 86 Ca 0.08 0.63 0.17 0.00 1.01 0.00 0.00 58.87 60.75 2k3y n SER 86 Cb 0.53 -0.79 0.61 0.00 -1.01 0.00 0.00 64.21 63.55 2k3y n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3y h SER 87 N 0.00 0.16 -0.30 6.43 0.02 -1.97 -2.21 113.55 115.68 2k3y h SER 87 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3y h SER 87 Cb 0.49 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2k3y h SER 87 CO 0.00 0.09 0.00 0.79 -1.14 0.00 0.00 176.83 176.57 2k3y n TRP 88 N -4.43 0.40 -1.93 3.45 7.02 -1.17 -4.92 117.44 115.85 2k3y n TRP 88 Ca 0.10 -0.20 -0.42 0.00 -1.02 0.00 0.00 57.50 55.96 2k3y n TRP 88 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 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 -1.30 6.62 0.23 -0.99 1.11 -0.84 -4.79 116.67 116.71 2k3y s ASP 89 Ca 0.31 2.34 -0.19 0.00 0.18 0.00 0.00 52.55 55.20 2k3y s ASP 89 Cb 0.17 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.65 2k3y s ASP 89 CO 0.23 -0.95 0.59 -0.70 1.18 0.00 0.00 175.17 175.53 2k3y s GLU 90 N 4.01 1.52 0.09 8.23 2.56 -1.22 -5.00 118.70 128.89 2k3y s GLU 90 Ca 0.76 -0.91 0.00 0.00 0.00 0.00 0.00 54.97 54.82 2k3y s GLU 90 Cb -0.36 0.55 -0.04 0.00 2.00 0.00 0.00 34.13 36.28 2k3y s GLU 90 CO 0.32 -0.67 0.24 -1.58 -0.56 0.00 0.00 175.26 173.02 2k3y s TRP 91 N -3.89 3.51 0.10 5.30 0.52 -1.26 -2.04 118.94 121.18 2k3y s TRP 91 Ca 0.11 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.51 2k3y s TRP 91 Cb -0.03 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 2k3y s TRP 91 CO 0.01 0.56 -0.12 0.14 0.02 0.00 0.00 176.95 177.55 2k3y s VAL 92 N -1.58 1.12 0.55 4.03 -7.23 -0.63 -4.93 120.40 111.73 2k3y s VAL 92 Ca 0.35 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2k3y s VAL 92 Cb -0.12 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.50 2k3y s VAL 92 CO 0.28 -0.42 0.79 -0.83 -0.31 0.00 0.00 175.10 174.61 2k3y s GLY 93 N -2.27 1.74 0.45 2.32 0.00 -1.26 -2.12 107.32 106.18 2k3y s GLY 93 Ca 0.05 -1.18 0.27 0.00 0.00 0.00 0.00 44.72 43.86 2k3y s GLY 93 CO 0.02 -0.91 1.82 -1.82 0.00 0.00 0.00 173.10 172.21 2k3y h TYR 94 N 0.04 0.00 -0.14 1.90 5.03 -1.80 -0.84 116.97 121.17 2k3y h TYR 94 Ca -0.43 0.00 0.04 0.00 2.58 0.00 0.00 58.73 60.92 2k3y h TYR 94 Cb 1.29 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.56 2k3y h TYR 94 CO 0.39 0.00 0.19 0.22 -1.32 0.00 0.00 178.16 177.64 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.95 -3.29 116.42 112.64 2k3y h ASP 95 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2k3y h ASP 95 Cb 0.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 2k3y h ASP 95 CO 0.00 0.00 -1.07 0.54 -2.88 0.00 0.00 179.24 175.83 2k3y n ARG 96 N -3.63 0.03 -2.47 0.28 1.74 -0.41 -4.95 116.66 107.24 2k3y n ARG 96 Ca 0.01 0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 2k3y n ARG 96 Cb 0.30 -0.76 0.02 0.00 -1.02 0.00 0.00 32.46 31.00 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 -2.02 4.12 -0.01 0.55 2.07 -0.67 -1.88 121.20 123.35 2k3y s ILE 97 Ca -0.02 0.08 -0.28 0.00 -1.41 0.00 0.00 60.65 59.02 2k3y s ILE 97 Cb 0.01 -3.60 0.09 0.00 0.13 0.00 0.00 42.46 39.09 2k3y s ILE 97 CO 0.02 -0.61 0.81 0.00 -1.91 0.00 0.00 174.94 173.25 2k3y s ARG 98 N -4.90 0.91 1.00 3.50 1.70 0.02 -4.53 118.95 116.65 2k3y s ARG 98 Ca 0.52 -0.14 -0.12 0.00 -0.47 0.00 0.00 55.73 55.51 2k3y s ARG 98 Cb -0.10 0.42 0.19 0.00 -0.57 0.00 0.00 34.95 34.89 2k3y s ARG 98 CO 0.45 -0.36 1.09 0.00 -1.08 0.00 0.00 175.30 175.41 2k3y s ALA 99 N -2.47 0.97 -0.52 7.88 0.00 -1.26 0.07 121.76 126.42 2k3y s ALA 99 Ca -0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2k3y s ALA 99 Cb -0.01 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 20.03 2k3y s ALA 99 CO -0.04 -2.83 1.16 -0.47 0.00 0.00 0.00 175.76 173.58 2k3y s TYR 100 N -2.97 2.73 0.17 0.00 6.14 0.30 -4.52 117.35 119.19 2k3y s TYR 100 Ca 0.65 0.58 -0.16 0.00 0.64 0.00 0.00 57.07 58.78 2k3y s TYR 100 Cb -0.18 -4.47 0.03 0.00 0.42 0.00 0.00 41.96 37.75 2k3y s TYR 100 CO 0.57 -1.40 0.47 0.54 0.64 0.00 0.00 175.55 176.37 2k3y s ASN 101 N 2.67 -0.24 0.41 4.32 2.20 -1.26 -4.49 114.94 118.55 2k3y s ASN 101 Ca 0.46 -0.44 0.16 0.00 -0.94 0.00 0.00 52.86 52.10 2k3y s ASN 101 Cb -0.07 0.53 1.04 0.00 -2.00 0.00 0.00 41.25 40.75 2k3y s ASN 101 CO 0.29 -0.97 1.87 -0.08 -2.94 0.00 0.00 177.10 175.27 2k3y h GLU 102 N 2.27 0.44 -0.60 3.55 4.81 -1.95 0.33 114.58 123.43 2k3y h GLU 102 Ca -0.31 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2k3y h GLU 102 Cb 1.26 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2k3y h GLU 102 CO 0.41 0.29 0.25 1.49 -0.73 0.00 0.00 179.01 180.72 2k3y h GLU 103 N 0.45 0.89 0.00 1.92 4.81 -1.98 0.88 114.58 121.55 2k3y h GLU 103 Ca 0.45 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2k3y h GLU 103 Cb 1.04 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2k3y h GLU 103 CO -0.17 0.75 -0.43 -0.91 -0.73 0.00 0.00 179.01 177.52 2k3y h ASN 104 N 0.83 0.00 0.24 1.04 2.35 -1.31 -1.62 115.58 117.11 2k3y h ASN 104 Ca 0.20 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 2k3y h ASN 104 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2k3y h ASN 104 CO -0.02 0.43 -0.46 0.40 -1.65 0.00 0.00 177.43 176.13 2k3y h ILE 105 N 0.00 1.33 -0.68 2.81 1.08 -0.81 0.12 117.51 121.36 2k3y h ILE 105 Ca -0.00 -1.66 -0.03 0.00 -0.39 0.00 0.00 64.86 62.78 2k3y h ILE 105 Cb 1.24 1.76 -0.03 0.00 -3.07 0.00 0.00 36.82 36.72 2k3y h ILE 105 CO 0.06 0.50 0.30 0.00 -0.69 0.00 0.00 178.15 178.31 2k3y h ALA 106 N 1.29 0.88 0.17 1.87 0.00 -0.03 0.21 119.26 123.66 2k3y h ALA 106 Ca 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k3y h ALA 106 Cb 0.91 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2k3y h ALA 106 CO 0.07 0.48 -0.25 1.98 0.00 0.00 0.00 179.25 181.54 2k3y h MET 107 N 0.96 -0.46 -0.29 0.00 1.85 -1.05 -1.62 114.93 114.31 2k3y h MET 107 Ca 0.23 0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.39 2k3y h MET 107 Cb 0.17 0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.27 2k3y h MET 107 CO -0.02 -0.31 0.06 -0.22 -0.40 0.00 0.00 176.91 176.02 2k3y h LYS 108 N -0.48 0.16 -0.19 0.39 3.64 -0.05 -0.56 116.57 119.48 2k3y h LYS 108 Ca 0.02 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2k3y h LYS 108 Cb 0.48 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k3y h LYS 108 CO -0.11 0.11 -0.14 1.57 -2.27 0.00 0.00 179.45 178.61 2k3y h LYS 109 N 0.17 0.43 -0.20 1.90 2.10 -0.61 0.21 116.57 120.58 2k3y h LYS 109 Ca 0.14 -0.21 0.06 0.00 -2.00 0.00 0.00 60.65 58.63 2k3y h LYS 109 Cb 0.14 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 2k3y h LYS 109 CO -0.18 0.76 0.21 -0.09 -2.00 0.00 0.00 179.45 178.15 2k3y h ARG 110 N 0.10 0.00 0.04 0.07 1.12 -0.86 0.67 114.38 115.52 2k3y h ARG 110 Ca 0.04 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.57 2k3y h ARG 110 Cb 0.66 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.58 2k3y h ARG 110 CO 0.04 0.00 -1.86 1.28 -3.11 0.00 0.00 179.97 176.31 2k3y n LEU 111 N -3.84 2.24 0.13 3.80 4.77 -0.26 -3.85 117.00 119.99 2k3y n LEU 111 Ca 0.02 0.28 0.19 0.00 -0.03 0.00 0.00 56.01 56.47 2k3y n LEU 111 Cb 0.34 -0.98 0.75 0.00 -2.33 0.00 0.00 43.42 41.19 2k3y n LEU 111 CO 0.28 0.58 1.17 0.00 -1.33 0.00 0.00 177.39 178.09 2k3y h ALA 112 N -0.36 1.99 -0.22 -1.18 0.00 -0.39 -0.02 119.26 119.08 2k3y h ALA 112 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2k3y h ALA 112 Cb 1.65 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2k3y h ALA 112 CO -0.15 -0.62 -0.10 -0.97 0.00 0.00 0.00 179.25 177.42 2k3y h ASN 113 N 0.00 0.46 -0.17 0.00 -1.24 -1.00 -3.35 115.58 110.28 2k3y h ASN 113 Ca 0.16 -0.41 -0.14 0.00 0.71 0.00 0.00 56.30 56.63 2k3y h ASN 113 Cb 1.04 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.97 2k3y h ASN 113 CO -0.00 0.77 -0.44 -0.33 -1.29 0.00 0.00 177.43 176.14 2k3y h GLU 114 N 0.16 0.59 -3.45 6.67 4.39 -1.12 -3.48 114.58 118.34 2k3y h GLU 114 Ca 0.05 -0.41 -0.06 0.00 0.34 0.00 0.00 59.36 59.27 2k3y h GLU 114 Cb 0.59 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.24 2k3y h GLU 114 CO 0.03 1.03 0.03 0.00 -1.16 0.00 0.00 179.01 178.94 2k3y s ALA 115 N -3.93 -0.37 0.00 3.43 0.00 -0.98 -5.13 121.76 114.78 2k3y s ALA 115 Ca -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2k3y s ALA 115 Cb 0.07 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.14 2k3y s ALA 115 CO 0.83 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2k3y n GLY 116 N -0.47 1.58 0.34 0.00 0.00 -1.26 -4.33 105.19 101.06 2k3y n GLY 116 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2k3y n GLY 116 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 117 N -0.70 0.35 -3.97 1.61 7.64 -1.26 -4.65 113.62 112.64 2k3y n SER 117 Ca 0.00 -1.02 -0.17 0.00 1.01 0.00 0.00 58.87 58.70 2k3y n SER 117 Cb 0.00 -0.17 -0.15 0.00 -1.01 0.00 0.00 64.21 62.88 2k3y n SER 117 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k3y s THR 118 N -1.32 0.48 -2.56 0.44 2.01 -1.26 -4.96 115.64 108.47 2k3y s THR 118 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2k3y s THR 118 Cb 0.00 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.10 2k3y s THR 118 CO 0.00 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 2k3y n GLY 119 N 2.98 -1.41 0.29 4.40 0.00 -1.20 -4.88 105.19 105.37 2k3y n GLY 119 Ca -0.14 -1.04 0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 1.54 0.80 -4.73 1.61 7.64 -1.19 -4.85 113.62 114.44 2k3y n SER 120 Ca 0.00 -2.20 -0.31 0.00 1.01 0.00 0.00 58.87 57.37 2k3y n SER 120 Cb 0.00 -0.23 0.12 0.00 -1.01 0.00 0.00 64.21 63.09 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 -0.89 1.96 -2.00 -0.43 0.00 -1.23 -4.91 121.76 114.26 2k3y s ALA 121 Ca 0.09 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.53 2k3y s ALA 121 Cb 0.08 -3.35 0.39 0.00 0.00 0.00 0.00 23.12 20.24 2k3y s ALA 121 CO 0.01 -2.14 0.87 -0.35 0.00 0.00 0.00 175.76 174.15 2k3y n PRO 122 N -3.75 0.53 -1.51 0.00 -0.04 -1.26 -1.33 135.00 127.63 2k3y n PRO 122 Ca 0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2k3y n PRO 122 Cb 0.53 -1.19 0.05 0.00 -0.04 0.00 0.00 33.50 32.84 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3y n ALA 123 N -0.69 2.64 0.00 0.55 0.00 -1.26 -5.03 120.51 116.71 2k3y n ALA 123 Ca 0.05 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.92 2k3y n ALA 123 Cb 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2k3y n ALA 123 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k3y n THR 124 N 0.12 0.00 -1.94 0.00 -2.24 -0.45 -4.77 114.28 105.00 2k3y n THR 124 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2k3y n THR 124 Cb 1.04 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.00 -1.45 2.26 3.38 0.00 -1.26 -3.18 105.19 104.94 2k3y n GLY 125 Ca 0.00 -1.01 -0.16 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 -0.13 2.90 0.00 -0.02 0.00 -1.26 -5.04 105.19 101.64 2k3y n GLY 126 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 3.12 0.00 0.00 1.61 0.31 -1.26 -4.23 118.33 117.89 2k3y n VAL 127 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 2k3y n VAL 127 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k3y n LYS 129 N 0.00 0.00 -0.03 5.55 4.01 -1.26 -5.00 118.16 121.42 2k3y n LYS 129 Ca 0.00 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.88 2k3y n LYS 129 Cb 0.00 0.00 0.39 0.00 -0.51 0.00 0.00 35.03 34.91 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2k3y n PRO 130 N -0.51 1.24 -0.08 1.97 -0.04 -1.26 -4.61 135.00 131.71 2k3y n PRO 130 Ca 0.00 -0.37 0.24 0.00 -0.04 0.00 0.00 63.50 63.33 2k3y n PRO 130 Cb 0.00 -1.27 0.52 0.00 -0.04 0.00 0.00 33.50 32.71 2k3y n PRO 130 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2k3y h HIS 131 N 0.71 0.00 -3.43 0.54 2.07 -2.04 -3.40 115.15 109.61 2k3y h HIS 131 Ca 0.00 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.18 2k3y h HIS 131 Cb 0.16 0.00 -0.36 0.00 2.57 0.00 0.00 27.41 29.78 2k3y h HIS 131 CO 0.04 0.00 -0.74 1.03 -3.07 0.00 0.00 177.93 175.19 2k3y s ARG 132 N -4.45 0.08 0.11 5.12 0.52 -1.26 -5.03 118.95 114.04 2k3y s ARG 132 Ca -0.03 0.22 -0.13 0.00 -0.52 0.00 0.00 55.73 55.26 2k3y s ARG 132 Cb 0.13 -0.45 -0.08 0.00 0.52 0.00 0.00 34.95 35.08 2k3y s ARG 132 CO 0.46 -0.22 1.43 -0.92 0.02 0.00 0.00 175.30 176.06 2k3y h TYR 133 N 7.73 0.97 0.00 -0.53 3.20 -1.99 -3.52 116.97 122.84 2k3y h TYR 133 Ca -0.32 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.24 2k3y h TYR 133 Cb 1.12 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2k3y h TYR 133 CO 0.50 1.10 0.00 -2.13 -1.64 0.00 0.00 178.16 175.98