#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 0.13 -0.09 1.12 -7.23 -1.26 -4.99 120.40 108.08 2k3y s VAL 2 Ca 0.00 -1.06 -0.23 0.00 -1.81 0.00 0.00 61.98 58.88 2k3y s VAL 2 Cb 0.00 -0.63 0.05 0.00 0.56 0.00 0.00 36.38 36.36 2k3y s VAL 2 CO 0.00 -0.58 0.54 -0.62 -0.31 0.00 0.00 175.10 174.13 2k3y s ASP 3 N -1.83 -0.51 0.00 4.85 2.15 -1.26 -4.95 116.67 115.12 2k3y s ASP 3 Ca -0.10 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.55 2k3y s ASP 3 Cb -0.05 0.66 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 2k3y s ASP 3 CO -0.03 -0.44 0.00 -0.11 -0.17 0.00 0.00 175.17 174.42 2k3y n LEU 4 N 1.56 0.00 0.12 -1.34 -0.00 -1.26 -4.58 117.00 111.49 2k3y n LEU 4 Ca -0.18 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.00 2k3y n LEU 4 Cb 0.56 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.72 2k3y n LEU 4 CO 0.19 0.00 1.16 -0.33 -0.00 0.00 0.00 177.39 178.40 2k3y h GLU 5 N 0.00 0.00 -0.98 1.96 5.08 -1.92 -0.30 114.58 118.41 2k3y h GLU 5 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 2k3y h GLU 5 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2k3y h GLU 5 CO 0.00 0.00 0.58 0.37 -1.00 0.00 0.00 179.01 178.96 2k3y h GLN 6 N 0.00 0.64 -6.95 2.33 4.15 -1.81 -3.37 115.11 110.10 2k3y h GLN 6 Ca 0.15 -0.04 -0.46 0.00 0.77 0.00 0.00 58.65 59.08 2k3y h GLN 6 Cb 0.70 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2k3y h GLN 6 CO -0.00 0.43 0.35 -1.21 -1.93 0.00 0.00 178.83 176.46 2k3y s GLU 7 N -5.84 4.44 0.45 1.69 2.02 -0.13 -4.35 118.70 116.98 2k3y s GLU 7 Ca -0.11 1.27 -0.25 0.00 0.02 0.00 0.00 54.97 55.89 2k3y s GLU 7 Cb 0.26 -2.57 -0.08 0.00 0.10 0.00 0.00 34.13 31.83 2k3y s GLU 7 CO 0.80 0.15 1.45 1.97 0.02 0.00 0.00 175.26 179.64 2k3y n PHE 8 N 0.11 2.75 -4.37 1.61 1.16 -1.26 -4.74 117.46 112.72 2k3y n PHE 8 Ca 0.04 0.43 -0.21 0.00 -1.87 0.00 0.00 57.45 55.85 2k3y n PHE 8 Cb 0.51 -2.47 -0.16 0.00 -1.61 0.00 0.00 39.48 35.76 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 -1.19 0.86 -1.66 1.98 0.00 -1.26 -5.03 121.76 115.45 2k3y s ALA 9 Ca 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2k3y s ALA 9 Cb -0.45 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2k3y s ALA 9 CO 0.58 0.11 0.65 -0.11 0.00 0.00 0.00 175.76 176.99 2k3y n LEU 10 N 3.45 0.00 -0.99 0.00 7.94 -1.26 -1.10 117.00 125.04 2k3y n LEU 10 Ca -0.20 0.15 -0.06 0.00 -1.11 0.00 0.00 56.01 54.80 2k3y n LEU 10 Cb 0.54 -0.15 -0.06 0.00 0.53 0.00 0.00 43.42 44.27 2k3y n LEU 10 CO 0.25 -0.15 0.33 0.61 -1.11 0.00 0.00 177.39 177.31 2k3y n GLY 11 N -1.15 0.56 3.97 -3.96 0.00 -1.26 -4.13 105.19 99.22 2k3y n GLY 11 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2k3y n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3y s GLY 12 N -0.98 1.78 0.52 -0.02 0.00 -0.26 -4.96 107.32 103.40 2k3y s GLY 12 Ca 0.02 -1.61 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 2k3y s GLY 12 CO -0.01 -0.90 0.92 0.50 0.00 0.00 0.00 173.10 173.62 2k3y s ARG 13 N -5.53 3.76 0.20 2.90 0.52 -1.26 -3.95 118.95 115.59 2k3y s ARG 13 Ca 0.72 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.63 2k3y s ARG 13 Cb -0.03 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 2k3y s ARG 13 CO 0.49 -0.29 0.08 0.14 0.02 0.00 0.00 175.30 175.74 2k3y s VAL 14 N -2.74 0.32 -0.04 3.52 -7.23 -0.48 -1.00 120.40 112.75 2k3y s VAL 14 Ca 0.55 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2k3y s VAL 14 Cb -0.10 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.47 2k3y s VAL 14 CO 0.39 -0.17 0.09 -0.76 -0.31 0.00 0.00 175.10 174.35 2k3y s LEU 15 N -3.19 0.94 -0.08 1.32 1.43 0.94 -0.28 118.68 119.75 2k3y s LEU 15 Ca 0.33 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2k3y s LEU 15 Cb 0.07 0.16 0.01 0.00 0.03 0.00 0.00 46.19 46.46 2k3y s LEU 15 CO 0.09 -0.13 -0.17 0.00 0.23 0.00 0.00 176.35 176.37 2k3y s ALA 16 N 1.06 1.65 -0.33 4.21 0.00 -0.62 -0.73 121.76 127.00 2k3y s ALA 16 Ca -0.08 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 2k3y s ALA 16 Cb -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2k3y s ALA 16 CO -0.04 0.19 0.18 0.12 0.00 0.00 0.00 175.76 176.21 2k3y s PHE 17 N 0.52 3.20 -0.76 0.00 5.36 -0.85 -1.19 117.98 124.26 2k3y s PHE 17 Ca -0.16 -0.63 0.23 0.00 -0.96 0.00 0.00 56.93 55.41 2k3y s PHE 17 Cb -0.17 -2.40 0.09 0.00 -0.34 0.00 0.00 43.02 40.21 2k3y s PHE 17 CO 0.06 -0.50 1.08 0.72 -1.46 0.00 0.00 175.22 175.13 2k3y n HIS 18 N 5.01 0.16 0.00 10.12 8.25 -0.14 -4.80 115.22 133.82 2k3y n HIS 18 Ca -0.13 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2k3y n HIS 18 Cb 0.48 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 1.42 1.67 0.28 -1.41 0.00 -1.26 -4.87 105.19 101.03 2k3y n GLY 19 Ca 0.03 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 0.89 -3.83 1.61 0.13 -1.98 -3.48 132.00 125.34 2k3y h PRO 20 Ca 0.00 -0.31 -0.19 0.00 -0.87 0.00 0.00 66.00 64.64 2k3y h PRO 20 Cb 0.00 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 30.99 2k3y h PRO 20 CO 0.00 0.95 -0.10 -1.17 -0.23 0.00 0.00 178.00 177.45 2k3y s LEU 21 N -9.11 0.70 0.01 1.56 2.96 -1.26 -4.20 118.68 109.34 2k3y s LEU 21 Ca -0.10 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 2k3y s LEU 21 Cb 0.14 1.77 -0.01 0.00 0.50 0.00 0.00 46.19 48.58 2k3y s LEU 21 CO 0.84 -1.34 -0.02 -0.32 -1.32 0.00 0.00 176.35 174.19 2k3y s MET 22 N -3.11 0.23 0.10 1.98 -2.45 -1.26 -0.96 119.30 113.83 2k3y s MET 22 Ca 0.26 -0.40 0.05 0.00 -1.25 0.00 0.00 55.69 54.35 2k3y s MET 22 Cb -0.01 0.02 -0.03 0.00 1.25 0.00 0.00 34.83 36.05 2k3y s MET 22 CO 0.16 -0.02 -0.12 0.71 1.05 0.00 0.00 175.02 176.81 2k3y s TYR 23 N -0.91 1.19 0.19 4.11 2.02 -0.33 -4.95 117.35 118.65 2k3y s TYR 23 Ca -0.09 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.73 2k3y s TYR 23 Cb -0.06 -0.64 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 2k3y s TYR 23 CO -0.01 0.06 0.90 -2.00 -1.57 0.00 0.00 175.55 172.93 2k3y s GLU 24 N -2.54 4.75 0.14 -0.62 2.12 -1.26 -1.59 118.70 119.71 2k3y s GLU 24 Ca 0.05 1.39 0.05 0.00 0.36 0.00 0.00 54.97 56.82 2k3y s GLU 24 Cb -0.05 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 2k3y s GLU 24 CO 0.01 0.45 -0.11 0.00 -0.54 0.00 0.00 175.26 175.08 2k3y s ALA 25 N -0.87 1.46 -0.32 6.30 0.00 0.61 -0.85 121.76 128.10 2k3y s ALA 25 Ca 0.41 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2k3y s ALA 25 Cb -0.25 0.02 0.14 0.00 0.00 0.00 0.00 23.12 23.03 2k3y s ALA 25 CO 0.30 -0.04 0.33 0.21 0.00 0.00 0.00 175.76 176.55 2k3y s LYS 26 N -3.45 0.44 0.69 0.00 2.36 -0.80 -1.38 119.74 117.60 2k3y s LYS 26 Ca 0.14 -0.38 -0.16 0.00 -2.55 0.00 0.00 55.97 53.02 2k3y s LYS 26 Cb 0.00 -0.66 0.01 0.00 -1.05 0.00 0.00 37.83 36.14 2k3y s LYS 26 CO 0.01 -1.09 1.23 0.42 1.55 0.00 0.00 175.35 177.48 2k3y s ILE 27 N 2.04 2.27 0.00 5.43 1.01 -1.25 -1.52 121.20 129.17 2k3y s ILE 27 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2k3y s ILE 27 Cb -0.14 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2k3y s ILE 27 CO -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 174.94 174.66 2k3y n LEU 28 N -2.31 0.00 -4.08 2.97 -0.00 -0.86 -4.46 117.00 108.25 2k3y n LEU 28 Ca 0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.92 2k3y n LEU 28 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.76 2k3y n LEU 28 CO 0.47 0.00 -0.47 -0.75 -0.00 0.00 0.00 177.39 176.63 2k3y s LYS 29 N -0.49 1.38 0.13 1.47 2.20 -1.23 -2.32 119.74 120.88 2k3y s LYS 29 Ca 0.00 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2k3y s LYS 29 Cb 0.00 -1.24 -0.04 0.00 -1.51 0.00 0.00 37.83 35.03 2k3y s LYS 29 CO 0.00 0.20 0.00 0.96 -0.36 0.00 0.00 175.35 176.16 2k3y s ILE 30 N 0.05 0.44 0.03 5.43 -0.00 0.35 -0.42 121.20 127.07 2k3y s ILE 30 Ca -0.02 -1.93 -0.00 0.00 -0.00 0.00 0.00 60.65 58.69 2k3y s ILE 30 Cb -0.10 -1.95 -0.02 0.00 -0.00 0.00 0.00 42.46 40.39 2k3y s ILE 30 CO 0.01 -0.60 -0.02 0.86 -0.00 0.00 0.00 174.94 175.18 2k3y s TRP 31 N -3.81 0.31 -0.10 1.37 -0.11 0.01 -0.98 118.94 115.63 2k3y s TRP 31 Ca 0.20 -0.63 -0.09 0.00 1.22 0.00 0.00 56.10 56.80 2k3y s TRP 31 Cb 0.07 -0.23 0.03 0.00 -1.50 0.00 0.00 33.47 31.84 2k3y s TRP 31 CO 0.00 -0.23 0.27 0.34 -4.62 0.00 0.00 176.95 172.70 2k3y s ASP 32 N -1.75 -0.28 0.02 5.86 -1.08 -1.25 -1.59 116.67 116.60 2k3y s ASP 32 Ca -0.11 0.54 0.10 0.00 -0.52 0.00 0.00 52.55 52.56 2k3y s ASP 32 Cb -0.06 0.54 0.45 0.00 -1.46 0.00 0.00 42.92 42.38 2k3y s ASP 32 CO -0.03 -0.10 1.33 -0.81 0.52 0.00 0.00 175.17 176.08 2k3y n PRO 33 N 3.02 0.01 0.11 4.34 -0.04 -1.25 -2.25 135.00 138.94 2k3y n PRO 33 Ca -0.14 0.34 -0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2k3y n PRO 33 Cb 0.58 -1.52 0.29 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.22 0.00 3.54 0.02 -1.93 -3.20 113.55 112.20 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 0.17 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k3y h SER 34 CO 0.00 0.52 -0.34 -1.54 -1.14 0.00 0.00 176.83 174.34 2k3y n SER 35 N -4.12 1.69 -3.99 3.07 3.41 -1.24 -5.02 113.62 107.41 2k3y n SER 35 Ca -0.01 -0.29 -0.26 0.00 -0.26 0.00 0.00 58.87 58.05 2k3y n SER 35 Cb 0.39 0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 65.23 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k3y n LYS 36 N -1.09 -3.06 -3.98 4.33 5.02 -0.95 -5.00 118.16 113.43 2k3y n LYS 36 Ca 0.00 0.37 -0.10 0.00 -2.02 0.00 0.00 58.31 56.57 2k3y n LYS 36 Cb 0.00 -4.43 -0.07 0.00 -0.02 0.00 0.00 35.03 30.51 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 -6.63 1.15 0.50 1.97 -1.94 -1.26 -4.66 119.30 108.44 2k3y s MET 37 Ca 0.00 -1.21 0.07 0.00 -1.71 0.00 0.00 55.69 52.84 2k3y s MET 37 Cb -0.00 0.37 0.02 0.00 2.01 0.00 0.00 34.83 37.23 2k3y s MET 37 CO 0.90 -0.42 0.43 1.52 -0.01 0.00 0.00 175.02 177.45 2k3y s TYR 38 N -3.98 2.02 0.01 -0.03 1.13 -1.26 -3.77 117.35 111.46 2k3y s TYR 38 Ca 0.18 -0.69 -0.10 0.00 -1.41 0.00 0.00 57.07 55.05 2k3y s TYR 38 Cb 0.04 -2.04 0.01 0.00 -1.10 0.00 0.00 41.96 38.86 2k3y s TYR 38 CO 0.01 -0.41 0.19 0.95 -2.51 0.00 0.00 175.55 173.78 2k3y s THR 39 N -2.65 0.08 0.10 -3.49 -4.23 -0.16 -4.03 115.64 101.27 2k3y s THR 39 Ca 0.43 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 60.16 2k3y s THR 39 Cb -0.03 -0.59 -0.00 0.00 1.34 0.00 0.00 72.50 73.22 2k3y s THR 39 CO 0.26 -0.38 0.21 -0.55 -0.54 0.00 0.00 174.62 173.62 2k3y s SER 40 N -1.54 0.10 0.06 3.99 0.15 -1.26 -0.49 113.70 114.71 2k3y s SER 40 Ca -0.12 -0.68 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 2k3y s SER 40 Cb -0.05 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2k3y s SER 40 CO 0.01 -0.76 0.10 0.27 1.20 0.00 0.00 173.24 174.06 2k3y s ILE 41 N -3.88 0.16 0.00 6.45 -4.36 -0.98 -1.01 121.20 117.58 2k3y s ILE 41 Ca 0.07 -1.31 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 2k3y s ILE 41 Cb 0.05 -1.23 -0.09 0.00 1.25 0.00 0.00 42.46 42.43 2k3y s ILE 41 CO -0.09 -0.72 2.06 -0.81 0.24 0.00 0.00 174.94 175.61 2k3y n PRO 42 N 0.27 1.06 -0.11 0.37 -0.04 -1.25 -4.41 135.00 130.89 2k3y n PRO 42 Ca -0.16 -0.35 -0.09 0.00 -0.04 0.00 0.00 63.50 62.86 2k3y n PRO 42 Cb 0.61 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.82 0.44 0.00 3.54 -0.73 -1.90 -3.46 115.58 116.29 2k3y h ASN 43 Ca 0.07 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2k3y h ASN 43 Cb 0.89 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.37 2k3y h ASN 43 CO 0.15 0.42 0.00 -0.67 -0.37 0.00 0.00 177.43 176.96 2k3y n ASP 44 N -4.76 0.00 -3.44 1.15 2.03 -1.26 -5.06 116.55 105.20 2k3y n ASP 44 Ca -0.01 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.18 2k3y n ASP 44 Cb 0.09 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 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 3.42 1.21 0.93 -0.67 0.00 -1.26 -1.36 119.74 122.02 2k3y s LYS 45 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 55.97 55.47 2k3y s LYS 45 Cb 0.00 0.56 0.15 0.00 0.00 0.00 0.00 37.83 38.54 2k3y s LYS 45 CO 0.00 -0.52 1.09 -1.25 0.00 0.00 0.00 175.35 174.67 2k3y s PRO 46 N -3.44 0.96 0.00 1.78 0.04 -1.26 -4.91 135.00 128.17 2k3y s PRO 46 Ca 0.00 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2k3y s PRO 46 Cb -0.01 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2k3y s PRO 46 CO -0.10 -2.46 0.37 0.41 0.04 0.00 0.00 177.00 175.26 2k3y n GLY 47 N -0.85 0.76 0.40 0.56 0.00 -1.26 -2.31 105.19 102.50 2k3y n GLY 47 Ca 0.07 0.00 0.01 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 0.17 0.55 3.42 -0.02 0.00 -1.26 -4.81 105.19 103.24 2k3y n GLY 48 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.06 1.15 -0.04 1.61 0.01 -0.98 -5.10 113.70 109.29 2k3y s SER 49 Ca 0.03 -1.58 0.05 0.00 1.31 0.00 0.00 55.95 55.76 2k3y s SER 49 Cb 0.02 0.62 -0.07 0.00 0.21 0.00 0.00 66.02 66.81 2k3y s SER 49 CO 0.00 -1.21 0.04 -1.20 0.41 0.00 0.00 173.24 171.28 2k3y n SER 50 N -1.44 3.74 -3.63 2.44 7.64 -1.26 -4.75 113.62 116.36 2k3y n SER 50 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.83 2k3y n SER 50 Cb 0.62 0.78 -0.07 0.00 -1.01 0.00 0.00 64.21 64.54 2k3y n SER 50 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k3y s GLN 51 N -2.19 0.46 0.97 1.43 0.74 -1.26 -4.77 119.66 115.03 2k3y s GLN 51 Ca -0.02 0.44 -0.11 0.00 0.05 0.00 0.00 55.36 55.72 2k3y s GLN 51 Cb 0.02 0.22 0.17 0.00 1.10 0.00 0.00 33.01 34.52 2k3y s GLN 51 CO 0.21 -0.07 1.09 0.00 -0.55 0.00 0.00 175.29 175.97 2k3y s ALA 52 N -0.05 1.02 -0.46 1.58 0.00 -0.46 -4.95 121.76 118.43 2k3y s ALA 52 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.10 2k3y s ALA 52 Cb -0.04 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.94 2k3y s ALA 52 CO -0.06 -2.83 0.23 0.95 0.00 0.00 0.00 175.76 174.05 2k3y s THR 53 N -2.74 2.00 0.00 0.00 -4.23 -1.26 -4.47 115.64 104.94 2k3y s THR 53 Ca 0.65 -2.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 2k3y s THR 53 Cb -0.21 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2k3y s THR 53 CO 0.59 -0.82 0.00 0.29 -0.54 0.00 0.00 174.62 174.14 2k3y n LYS 54 N 3.45 0.00 -1.93 3.99 5.02 -1.26 -4.08 118.16 123.35 2k3y n LYS 54 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 2k3y n LYS 54 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.32 2k3y n LYS 54 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2k3y s GLU 55 N 0.00 2.81 0.13 1.97 1.03 -1.26 -3.94 118.70 119.43 2k3y s GLU 55 Ca 0.00 1.09 -0.31 0.00 0.03 0.00 0.00 54.97 55.78 2k3y s GLU 55 Cb 0.00 -4.35 -0.08 0.00 -0.80 0.00 0.00 34.13 28.90 2k3y s GLU 55 CO 0.00 -2.49 1.35 0.42 -1.33 0.00 0.00 175.26 173.21 2k3y s ILE 56 N 8.80 3.38 0.31 1.83 1.01 -0.18 -4.95 121.20 131.40 2k3y s ILE 56 Ca 0.78 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 2k3y s ILE 56 Cb -0.18 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 2k3y s ILE 56 CO 0.27 0.09 1.30 -0.54 0.00 0.00 0.00 174.94 176.06 2k3y s LYS 57 N 0.83 4.38 0.32 2.79 -0.14 -1.26 -4.06 119.74 122.59 2k3y s LYS 57 Ca 0.62 2.18 -0.28 0.00 -1.36 0.00 0.00 55.97 57.12 2k3y s LYS 57 Cb -0.36 -3.09 -0.13 0.00 -1.68 0.00 0.00 37.83 32.57 2k3y s LYS 57 CO 0.32 -0.17 1.23 -2.30 -0.76 0.00 0.00 175.35 173.66 2k3y n PRO 58 N 1.08 1.90 -4.13 -1.68 -0.02 -1.26 -4.92 135.00 125.97 2k3y n PRO 58 Ca 0.01 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 2k3y n PRO 58 Cb 0.42 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2k3y n PRO 58 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2k3y s GLN 59 N -1.63 0.73 0.04 -0.52 -0.21 -1.26 -5.01 119.66 111.80 2k3y s GLN 59 Ca 0.58 -1.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 2k3y s GLN 59 Cb -0.61 -0.11 -0.08 0.00 1.00 0.00 0.00 33.01 33.20 2k3y s GLN 59 CO 0.60 -0.03 1.76 0.15 -2.12 0.00 0.00 175.29 175.65 2k3y s LYS 60 N -3.50 4.17 0.57 2.91 -0.14 -1.26 -4.11 119.74 118.37 2k3y s LYS 60 Ca 0.07 2.41 -0.21 0.00 -1.36 0.00 0.00 55.97 56.89 2k3y s LYS 60 Cb 0.04 -3.82 -0.04 0.00 -1.68 0.00 0.00 37.83 32.32 2k3y s LYS 60 CO -0.05 -0.83 1.30 -1.17 -0.76 0.00 0.00 175.35 173.84 2k3y s LEU 61 N 3.41 3.78 0.00 3.17 0.20 -1.26 -4.90 118.68 123.08 2k3y s LEU 61 Ca 0.78 2.63 0.00 0.00 0.69 0.00 0.00 54.13 58.24 2k3y s LEU 61 Cb -0.40 -4.39 0.00 0.00 -0.43 0.00 0.00 46.19 40.97 2k3y s LEU 61 CO 0.35 -1.60 0.00 0.61 -0.29 0.00 0.00 176.35 175.42 2k3y n GLY 62 N 0.70 -0.43 2.45 7.98 0.00 -1.26 -5.07 105.19 109.56 2k3y n GLY 62 Ca 0.12 0.34 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 2k3y n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k3y n GLU 63 N 0.00 -2.16 -1.02 1.61 -0.58 -1.26 -0.95 120.64 116.27 2k3y n GLU 63 Ca 0.00 0.68 -0.01 0.00 -0.42 0.00 0.00 57.16 57.42 2k3y n GLU 63 Cb 0.00 -5.30 -0.00 0.00 -0.57 0.00 0.00 31.44 25.56 2k3y n GLU 63 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2k3y n ASP 64 N -1.86 -5.44 0.00 1.62 2.03 -1.26 -4.87 116.55 106.77 2k3y n ASP 64 Ca -0.17 0.02 0.03 0.00 0.52 0.00 0.00 54.79 55.20 2k3y n ASP 64 Cb 0.63 -3.00 0.20 0.00 -0.72 0.00 0.00 41.12 38.22 2k3y n ASP 64 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k3y n GLU 65 N 0.15 0.66 -0.20 -0.67 -0.58 -0.13 -4.97 120.64 114.90 2k3y n GLU 65 Ca -0.01 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.65 2k3y n GLU 65 Cb 0.42 -1.16 -0.01 0.00 -0.57 0.00 0.00 31.44 30.11 2k3y n GLU 65 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2k3y n SER 66 N -0.66 0.14 -4.32 1.62 7.64 -1.26 -4.89 113.62 111.88 2k3y n SER 66 Ca 0.05 0.13 -0.33 0.00 1.01 0.00 0.00 58.87 59.74 2k3y n SER 66 Cb 0.02 -0.11 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.42 2.82 0.79 0.44 -4.36 -1.26 -5.01 121.20 115.04 2k3y s ILE 67 Ca 0.13 -0.74 -0.11 0.00 -0.26 0.00 0.00 60.65 59.67 2k3y s ILE 67 Cb -0.18 -2.18 0.07 0.00 1.25 0.00 0.00 42.46 41.42 2k3y s ILE 67 CO 0.10 0.52 1.11 -2.16 0.24 0.00 0.00 174.94 174.75 2k3y s PRO 68 N 0.48 2.05 0.64 0.37 0.04 -1.26 -4.78 135.00 132.55 2k3y s PRO 68 Ca -0.10 1.27 0.32 0.00 0.04 0.00 0.00 61.00 62.53 2k3y s PRO 68 Cb -0.16 -1.87 1.74 0.00 0.04 0.00 0.00 34.50 34.25 2k3y s PRO 68 CO 0.05 -1.81 2.02 0.93 0.04 0.00 0.00 177.00 178.22 2k3y h GLU 69 N -1.17 0.00 -0.89 4.56 5.08 -1.99 -1.02 114.58 119.14 2k3y h GLU 69 Ca -0.44 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.03 2k3y h GLU 69 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2k3y h GLU 69 CO 0.50 0.00 0.57 0.93 -1.00 0.00 0.00 179.01 180.01 2k3y h GLU 70 N 0.00 0.83 0.00 2.33 3.07 -2.02 -3.24 114.58 115.56 2k3y h GLU 70 Ca 0.04 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2k3y h GLU 70 Cb 0.60 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2k3y h GLU 70 CO -0.00 0.55 -0.67 0.44 -1.40 0.00 0.00 179.01 177.93 2k3y n ILE 71 N -4.54 0.00 -0.23 3.13 -5.35 -0.42 -4.43 119.36 107.51 2k3y n ILE 71 Ca 0.15 -0.26 0.04 0.00 -0.27 0.00 0.00 62.75 62.42 2k3y n ILE 71 Cb 0.33 0.71 0.16 0.00 -1.74 0.00 0.00 39.64 39.10 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 0.57 -0.05 7.28 1.08 -1.52 -2.32 117.51 122.56 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 0.14 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 2k3y h ILE 72 CO 0.00 0.05 0.00 -0.46 -0.69 0.00 0.00 178.15 177.05 2k3y n ASN 73 N -5.13 0.30 -3.21 1.72 0.23 -1.22 -3.94 115.26 104.01 2k3y n ASN 73 Ca 0.12 -1.83 -0.15 0.00 -0.53 0.00 0.00 54.58 52.19 2k3y n ASN 73 Cb 0.41 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.04 2k3y n ASN 73 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2k3y s GLY 74 N -1.18 1.49 0.21 4.83 0.00 -0.87 -4.70 107.32 107.09 2k3y s GLY 74 Ca 0.12 -1.51 -0.32 0.00 0.00 0.00 0.00 44.72 43.00 2k3y s GLY 74 CO 0.09 -0.99 1.71 0.28 0.00 0.00 0.00 173.10 174.19 2k3y n LYS 75 N -0.57 2.73 -4.34 2.90 4.76 -1.26 -4.18 118.16 118.19 2k3y n LYS 75 Ca 0.01 0.98 -0.19 0.00 -2.87 0.00 0.00 58.31 56.24 2k3y n LYS 75 Cb 0.61 -2.82 -0.14 0.00 -1.84 0.00 0.00 35.03 30.84 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 1.13 1.34 -0.20 4.39 0.01 -0.62 -4.32 113.70 115.43 2k3y s SER 76 Ca 0.75 -0.34 -0.00 0.00 1.31 0.00 0.00 55.95 57.66 2k3y s SER 76 Cb -0.52 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 65.67 2k3y s SER 76 CO 0.33 0.04 -0.03 -0.36 0.41 0.00 0.00 173.24 173.63 2k3y s PHE 77 N -0.64 1.86 -0.06 2.43 0.08 -0.54 -0.81 117.98 120.31 2k3y s PHE 77 Ca 0.01 -1.34 -0.30 0.00 0.12 0.00 0.00 56.93 55.43 2k3y s PHE 77 Cb -0.06 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.99 2k3y s PHE 77 CO 0.00 -0.69 1.07 0.12 -0.10 0.00 0.00 175.22 175.63 2k3y s PHE 78 N 1.58 3.45 0.08 0.36 5.36 0.43 -1.59 117.98 127.65 2k3y s PHE 78 Ca -0.03 1.49 0.01 0.00 -0.96 0.00 0.00 56.93 57.44 2k3y s PHE 78 Cb -0.17 -3.26 -0.04 0.00 -0.34 0.00 0.00 43.02 39.21 2k3y s PHE 78 CO -0.07 -0.57 -0.06 0.96 -1.46 0.00 0.00 175.22 174.02 2k3y s ILE 79 N 1.78 0.58 -0.21 3.12 -4.36 -0.81 -2.03 121.20 119.28 2k3y s ILE 79 Ca 0.52 -1.79 -0.04 0.00 -0.26 0.00 0.00 60.65 59.08 2k3y s ILE 79 Cb -0.22 -1.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 2k3y s ILE 79 CO 0.22 -0.83 -0.05 -2.28 0.24 0.00 0.00 174.94 172.24 2k3y s HIS 80 N -3.36 2.96 -0.10 1.37 5.65 -0.57 -3.20 115.29 118.03 2k3y s HIS 80 Ca 0.08 -0.82 -0.30 0.00 0.25 0.00 0.00 55.06 54.27 2k3y s HIS 80 Cb 0.04 -2.07 -0.03 0.00 -1.18 0.00 0.00 32.58 29.33 2k3y s HIS 80 CO -0.05 -0.45 1.33 0.71 -0.65 0.00 0.00 174.74 175.63 2k3y s TYR 81 N 1.26 2.79 0.52 3.88 2.02 -1.26 -1.90 117.35 124.66 2k3y s TYR 81 Ca 0.03 0.90 -0.21 0.00 -0.37 0.00 0.00 57.07 57.42 2k3y s TYR 81 Cb -0.14 -3.57 -0.06 0.00 -0.40 0.00 0.00 41.96 37.78 2k3y s TYR 81 CO -0.01 -2.06 1.21 -0.65 -1.57 0.00 0.00 175.55 172.46 2k3y s GLN 82 N 3.14 3.38 -0.73 -0.62 -1.52 -0.03 -3.26 119.66 120.02 2k3y s GLN 82 Ca 0.59 1.85 0.00 0.00 -1.95 0.00 0.00 55.36 55.85 2k3y s GLN 82 Cb -0.26 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 2k3y s GLN 82 CO 0.20 -0.89 0.00 0.41 -0.25 0.00 0.00 175.29 174.77 2k3y n GLY 83 N 0.47 0.77 3.32 3.09 0.00 -1.26 -4.69 105.19 106.88 2k3y n GLY 83 Ca 0.10 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.84 1.54 0.75 1.61 0.52 -1.20 -4.55 118.94 115.77 2k3y s TRP 84 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 56.10 54.75 2k3y s TRP 84 Cb 0.00 -0.87 0.05 0.00 -1.15 0.00 0.00 33.47 31.50 2k3y s TRP 84 CO 0.00 -0.41 1.11 0.15 0.02 0.00 0.00 176.95 177.83 2k3y s LYS 85 N -3.98 2.26 0.58 4.98 1.02 -1.26 -4.90 119.74 118.45 2k3y s LYS 85 Ca 0.37 1.33 0.35 0.00 0.02 0.00 0.00 55.97 58.04 2k3y s LYS 85 Cb 0.07 -1.89 1.74 0.00 -0.52 0.00 0.00 37.83 37.24 2k3y s LYS 85 CO 0.15 -1.66 2.14 0.77 -0.92 0.00 0.00 175.35 175.83 2k3y h SER 86 N -0.79 0.00 -0.63 2.83 0.02 -1.92 -2.97 113.55 110.09 2k3y h SER 86 Ca -0.45 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.65 2k3y h SER 86 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 2k3y h SER 86 CO 0.51 0.04 0.43 0.28 -1.14 0.00 0.00 176.83 176.95 2k3y h SER 87 N 0.00 0.20 -0.12 3.07 0.02 -1.95 -1.62 113.55 113.15 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 0.29 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k3y h SER 87 CO 0.01 0.11 0.00 0.79 -1.14 0.00 0.00 176.83 176.59 2k3y n TRP 88 N -4.43 0.15 -1.92 3.45 7.02 -1.12 -4.87 117.44 115.72 2k3y n TRP 88 Ca 0.12 -0.08 -0.42 0.00 -1.02 0.00 0.00 57.50 56.09 2k3y n TRP 88 Cb 0.55 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.41 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 -1.63 6.38 0.24 -0.99 1.01 -0.61 -4.77 116.67 116.30 2k3y s ASP 89 Ca 0.33 2.09 -0.19 0.00 0.71 0.00 0.00 52.55 55.49 2k3y s ASP 89 Cb 0.17 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.60 2k3y s ASP 89 CO 0.27 -1.19 0.62 -0.70 0.21 0.00 0.00 175.17 174.38 2k3y s GLU 90 N 4.62 1.59 0.09 8.23 2.56 -1.19 -5.00 118.70 129.59 2k3y s GLU 90 Ca 0.79 -0.94 -0.01 0.00 0.00 0.00 0.00 54.97 54.82 2k3y s GLU 90 Cb -0.33 0.56 -0.04 0.00 2.00 0.00 0.00 34.13 36.33 2k3y s GLU 90 CO 0.33 -0.70 0.26 -1.58 -0.56 0.00 0.00 175.26 173.01 2k3y s TRP 91 N -3.90 3.50 0.12 5.30 0.52 -1.26 -1.92 118.94 121.30 2k3y s TRP 91 Ca 0.11 0.32 0.05 0.00 0.02 0.00 0.00 56.10 56.60 2k3y s TRP 91 Cb -0.03 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 2k3y s TRP 91 CO 0.02 0.54 -0.11 0.14 0.02 0.00 0.00 176.95 177.56 2k3y s VAL 92 N -1.58 1.13 0.48 4.03 -7.23 -0.62 -4.91 120.40 111.70 2k3y s VAL 92 Ca 0.37 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2k3y s VAL 92 Cb -0.13 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2k3y s VAL 92 CO 0.27 -0.58 0.68 -0.83 -0.31 0.00 0.00 175.10 174.33 2k3y s GLY 93 N -2.68 1.72 0.49 2.32 0.00 -1.26 -1.47 107.32 106.44 2k3y s GLY 93 Ca 0.10 -1.28 0.28 0.00 0.00 0.00 0.00 44.72 43.82 2k3y s GLY 93 CO 0.01 -1.07 1.84 -1.82 0.00 0.00 0.00 173.10 172.06 2k3y h TYR 94 N 0.34 0.00 -0.09 1.90 5.03 -1.77 -0.68 116.97 121.70 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 1.27 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.55 2k3y h TYR 94 CO 0.41 0.00 0.18 0.22 -1.32 0.00 0.00 178.16 177.65 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.95 -3.30 116.42 112.64 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 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 2k3y h ASP 95 CO 0.00 0.00 -0.77 0.54 -2.88 0.00 0.00 179.24 176.13 2k3y n ARG 96 N -3.41 0.24 -3.49 0.28 1.74 -0.35 -4.99 116.66 106.69 2k3y n ARG 96 Ca -0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 2k3y n ARG 96 Cb 0.27 -0.89 -0.04 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.77 5.08 0.07 0.55 2.07 -0.67 -2.00 121.20 124.53 2k3y s ILE 97 Ca 0.00 0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.12 2k3y s ILE 97 Cb 0.00 -3.70 0.02 0.00 0.13 0.00 0.00 42.46 38.91 2k3y s ILE 97 CO 0.00 -0.19 0.29 -0.13 -1.91 0.00 0.00 174.94 173.00 2k3y s ARG 98 N -3.25 0.86 0.84 3.50 0.52 0.09 -4.43 118.95 117.09 2k3y s ARG 98 Ca 0.43 -0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 54.88 2k3y s ARG 98 Cb -0.11 0.37 0.09 0.00 0.52 0.00 0.00 34.95 35.82 2k3y s ARG 98 CO 0.28 -0.29 1.09 0.00 0.02 0.00 0.00 175.30 176.40 2k3y s ALA 99 N -3.08 1.88 -0.34 2.13 0.00 -1.26 -0.04 121.76 121.05 2k3y s ALA 99 Ca -0.01 0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2k3y s ALA 99 Cb 0.01 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2k3y s ALA 99 CO -0.07 -2.08 1.36 -0.47 0.00 0.00 0.00 175.76 174.50 2k3y s TYR 100 N -2.92 2.55 0.16 0.00 6.14 -0.17 -4.62 117.35 118.49 2k3y s TYR 100 Ca 0.62 0.78 -0.18 0.00 0.64 0.00 0.00 57.07 58.93 2k3y s TYR 100 Cb -0.18 -4.06 0.04 0.00 0.42 0.00 0.00 41.96 38.19 2k3y s TYR 100 CO 0.57 -1.87 0.49 0.54 0.64 0.00 0.00 175.55 175.92 2k3y s ASN 101 N 3.27 -0.33 0.44 4.32 2.20 -1.26 -4.43 114.94 119.15 2k3y s ASN 101 Ca 0.59 -0.30 0.18 0.00 -0.94 0.00 0.00 52.86 52.39 2k3y s ASN 101 Cb -0.16 0.54 1.11 0.00 -2.00 0.00 0.00 41.25 40.74 2k3y s ASN 101 CO 0.27 -0.95 1.91 -0.08 -2.94 0.00 0.00 177.10 175.30 2k3y h GLU 102 N 2.21 0.35 -0.32 3.55 4.81 -1.94 0.38 114.58 123.62 2k3y h GLU 102 Ca -0.32 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.84 2k3y h GLU 102 Cb 1.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2k3y h GLU 102 CO 0.41 0.23 0.03 1.49 -0.73 0.00 0.00 179.01 180.44 2k3y h GLU 103 N 0.36 0.56 0.00 1.92 4.57 -1.98 0.35 114.58 120.36 2k3y h GLU 103 Ca 0.39 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2k3y h GLU 103 Cb 0.99 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2k3y h GLU 103 CO -0.12 0.67 0.00 -0.91 -1.18 0.00 0.00 179.01 177.47 2k3y h ASN 104 N 0.37 0.00 0.45 1.04 2.35 -1.31 -1.44 115.58 117.04 2k3y h ASN 104 Ca 0.10 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.66 2k3y h ASN 104 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2k3y h ASN 104 CO 0.01 0.00 -0.79 0.40 -1.65 0.00 0.00 177.43 175.40 2k3y h ILE 105 N 0.00 1.44 -0.88 2.81 1.08 -0.70 0.15 117.51 121.41 2k3y h ILE 105 Ca 0.00 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.11 2k3y h ILE 105 Cb 0.74 2.29 -0.04 0.00 -3.07 0.00 0.00 36.82 36.73 2k3y h ILE 105 CO 0.00 0.70 0.56 0.00 -0.69 0.00 0.00 178.15 178.72 2k3y h ALA 106 N 0.99 1.12 0.56 1.87 0.00 0.06 0.17 119.26 124.04 2k3y h ALA 106 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k3y h ALA 106 Cb 1.38 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k3y h ALA 106 CO 0.13 0.56 -0.34 1.98 0.00 0.00 0.00 179.25 181.58 2k3y h MET 107 N 1.21 -0.81 -0.70 0.00 1.85 -1.15 -1.61 114.93 113.71 2k3y h MET 107 Ca 0.32 0.06 0.15 0.00 -0.61 0.00 0.00 59.70 59.61 2k3y h MET 107 Cb -0.10 0.18 -0.10 0.00 0.43 0.00 0.00 31.60 32.02 2k3y h MET 107 CO -0.06 -0.54 0.17 -0.22 -0.40 0.00 0.00 176.91 175.85 2k3y h LYS 108 N -0.84 0.27 0.18 0.39 3.64 0.02 -1.16 116.57 119.07 2k3y h LYS 108 Ca -0.07 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.02 2k3y h LYS 108 Cb 0.68 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 32.47 2k3y h LYS 108 CO 0.07 0.18 -1.18 -0.22 -2.27 0.00 0.00 179.45 176.04 2k3y h LYS 109 N 0.28 0.47 -0.98 1.90 3.64 -0.67 0.20 116.57 121.41 2k3y h LYS 109 Ca 0.39 -0.75 0.08 0.00 -1.27 0.00 0.00 60.65 59.10 2k3y h LYS 109 Cb 0.63 0.27 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 2k3y h LYS 109 CO -0.48 1.35 0.63 -0.09 -2.27 0.00 0.00 179.45 178.60 2k3y h ARG 110 N -0.02 1.05 0.05 1.90 1.12 -0.87 -0.58 114.38 117.04 2k3y h ARG 110 Ca -0.20 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.50 2k3y h ARG 110 Cb 1.91 -0.24 0.01 0.00 -0.01 0.00 0.00 29.97 31.65 2k3y h ARG 110 CO 0.22 0.69 -0.45 -0.07 -3.11 0.00 0.00 179.97 177.25 2k3y h LEU 111 N 1.08 0.31 -2.00 3.80 3.38 -1.18 -2.54 115.31 118.17 2k3y h LEU 111 Ca 0.44 -0.88 0.20 0.00 0.09 0.00 0.00 57.88 57.73 2k3y h LEU 111 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2k3y h LEU 111 CO -0.19 1.17 0.51 0.00 0.09 0.00 0.00 178.44 180.01 2k3y h ALA 112 N 0.15 2.64 0.16 1.53 0.00 -0.47 0.24 119.26 123.51 2k3y h ALA 112 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3y h ALA 112 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2k3y h ALA 112 CO 0.09 -0.86 -0.08 -0.97 0.00 0.00 0.00 179.25 177.43 2k3y h ASN 113 N 0.00 -0.18 1.40 0.00 -1.24 -1.05 -3.37 115.58 111.14 2k3y h ASN 113 Ca 0.33 -0.35 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2k3y h ASN 113 Cb 1.34 0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.44 2k3y h ASN 113 CO -0.00 0.37 -0.42 1.05 -1.29 0.00 0.00 177.43 177.13 2k3y h GLU 114 N -0.86 0.00 0.00 6.67 4.11 -0.98 -3.48 114.58 120.05 2k3y h GLU 114 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2k3y h GLU 114 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k3y h GLU 114 CO 0.04 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.12 2k3y n ALA 115 N -2.03 0.00 -0.97 1.06 0.00 0.78 -4.81 120.51 114.55 2k3y n ALA 115 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k3y n ALA 115 Cb 0.50 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2k3y n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3y n GLY 116 N -0.57 2.04 0.00 0.00 0.00 -1.26 -2.72 105.19 102.67 2k3y n GLY 116 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.74 0.00 -4.73 1.61 7.64 -1.26 -4.83 113.62 111.30 2k3y n SER 117 Ca 0.00 -0.73 -0.38 0.00 1.01 0.00 0.00 58.87 58.78 2k3y n SER 117 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 2k3y n SER 117 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k3y n THR 118 N -0.94 4.56 -2.36 0.44 -1.04 -1.10 -4.97 114.28 108.87 2k3y n THR 118 Ca 0.13 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2k3y n THR 118 Cb 0.06 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 2k3y n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3y n GLY 119 N 0.89 1.33 3.49 3.41 0.00 -1.26 -4.97 105.19 108.08 2k3y n GLY 119 Ca 0.14 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 2.33 -3.79 1.61 7.64 -1.26 -4.81 113.62 115.34 2k3y n SER 120 Ca 0.00 -2.62 -0.10 0.00 1.01 0.00 0.00 58.87 57.16 2k3y n SER 120 Cb 0.00 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 61.65 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 11.11 -0.50 -0.09 -0.43 0.00 -1.26 -5.06 121.76 125.53 2k3y s ALA 121 Ca 0.70 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2k3y s ALA 121 Cb 0.03 0.69 -0.20 0.00 0.00 0.00 0.00 23.12 23.63 2k3y s ALA 121 CO 0.17 -0.62 2.92 -0.35 0.00 0.00 0.00 175.76 177.88 2k3y n PRO 122 N -0.19 1.66 -1.68 0.00 -0.04 -1.26 -4.93 135.00 128.57 2k3y n PRO 122 Ca -0.13 -0.86 -0.44 0.00 -0.04 0.00 0.00 63.50 62.03 2k3y n PRO 122 Cb 0.63 -1.94 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 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 2.70 1.56 0.01 0.55 0.00 -1.26 -4.92 120.51 119.16 2k3y n ALA 123 Ca 0.36 0.28 -0.18 0.00 0.00 0.00 0.00 53.44 53.90 2k3y n ALA 123 Cb 0.68 -2.58 -0.08 0.00 0.00 0.00 0.00 19.45 17.47 2k3y n ALA 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2k3y h THR 124 N 5.15 1.29 0.00 0.00 2.02 -1.95 -3.43 112.91 115.98 2k3y h THR 124 Ca -0.48 -2.12 -0.02 0.00 0.77 0.00 0.00 66.41 64.56 2k3y h THR 124 Cb 1.24 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.80 2k3y h THR 124 CO 0.94 0.66 -0.05 0.61 0.37 0.00 0.00 175.52 178.05 2k3y n GLY 125 N 0.86 0.14 0.00 2.16 0.00 -1.26 -4.97 105.19 102.13 2k3y n GLY 125 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.53 2.56 -0.02 0.00 -1.26 -5.04 105.19 100.90 2k3y n GLY 126 Ca -0.05 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2k3y n GLY 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k3y n VAL 127 N 0.00 1.57 0.00 1.61 3.14 -1.26 -4.68 118.33 118.71 2k3y n VAL 127 Ca 0.00 -5.08 0.00 0.00 -2.96 0.00 0.00 64.34 56.30 2k3y n VAL 127 Cb 0.00 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2k3y n LYS 129 N 0.17 0.00 -0.17 1.45 4.76 -1.26 -5.04 118.16 118.08 2k3y n LYS 129 Ca 0.28 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.83 2k3y n LYS 129 Cb 0.50 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.96 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2k3y n PRO 130 N 0.00 2.24 -0.35 1.97 -0.04 -1.26 -4.79 135.00 132.77 2k3y n PRO 130 Ca 0.00 -1.88 -0.02 0.00 -0.04 0.00 0.00 63.50 61.55 2k3y n PRO 130 Cb 0.00 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.01 2k3y n PRO 130 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2k3y n HIS 131 N 1.09 -0.05 -3.60 0.54 1.44 -1.26 -4.75 115.22 108.64 2k3y n HIS 131 Ca 0.18 1.12 -0.13 0.00 -2.01 0.00 0.00 57.72 56.88 2k3y n HIS 131 Cb 0.50 -0.79 -0.05 0.00 0.12 0.00 0.00 29.99 29.77 2k3y n HIS 131 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2k3y s ARG 132 N -5.79 1.03 1.02 -1.40 1.04 -1.26 -5.17 118.95 108.41 2k3y s ARG 132 Ca -0.12 -0.37 -0.12 0.00 -1.04 0.00 0.00 55.73 54.08 2k3y s ARG 132 Cb 0.17 0.47 0.20 0.00 -2.04 0.00 0.00 34.95 33.74 2k3y s ARG 132 CO 0.63 -0.38 1.08 0.71 -0.04 0.00 0.00 175.30 177.30 2k3y s TYR 133 N -2.79 1.95 -1.50 5.89 2.02 -1.26 -5.14 117.35 116.52 2k3y s TYR 133 Ca -0.03 1.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.78 2k3y s TYR 133 Cb -0.00 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 2k3y s TYR 133 CO -0.05 -3.03 0.37 -2.13 -1.57 0.00 0.00 175.55 169.15