#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 0.38 0.19 2.03 -7.23 -1.26 -5.18 120.40 109.33 2k3y s VAL 2 Ca 0.00 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.09 2k3y s VAL 2 Cb 0.00 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2k3y s VAL 2 CO 0.00 -0.33 0.39 -0.62 -0.31 0.00 0.00 175.10 174.23 2k3y s ASP 3 N -3.15 -0.07 0.00 4.85 2.15 -1.26 -4.94 116.67 114.24 2k3y s ASP 3 Ca 0.28 -0.76 0.00 0.00 0.43 0.00 0.00 52.55 52.50 2k3y s ASP 3 Cb 0.07 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 2k3y s ASP 3 CO 0.06 -0.98 0.00 -0.11 -0.17 0.00 0.00 175.17 173.96 2k3y n LEU 4 N -0.28 0.00 -0.23 -1.34 7.94 -1.26 -4.72 117.00 117.12 2k3y n LEU 4 Ca -0.07 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 54.96 2k3y n LEU 4 Cb 0.63 0.00 0.42 0.00 0.53 0.00 0.00 43.42 45.00 2k3y n LEU 4 CO 0.22 0.00 1.22 -0.33 -1.11 0.00 0.00 177.39 177.38 2k3y h GLU 5 N 0.05 0.58 -0.86 1.96 4.39 -1.92 -1.33 114.58 117.44 2k3y h GLU 5 Ca 0.00 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.82 2k3y h GLU 5 Cb 0.00 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.45 2k3y h GLU 5 CO 0.00 0.38 0.56 0.37 -1.16 0.00 0.00 179.01 179.16 2k3y h GLN 6 N 0.59 0.55 -6.74 2.33 4.15 -1.84 -3.40 115.11 110.75 2k3y h GLN 6 Ca 0.41 -0.03 -0.49 0.00 0.77 0.00 0.00 58.65 59.31 2k3y h GLN 6 Cb 0.74 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 2k3y h GLN 6 CO -0.17 0.36 0.24 -1.21 -1.93 0.00 0.00 178.83 176.13 2k3y s GLU 7 N -5.57 4.44 0.10 1.69 2.02 -0.50 -4.23 118.70 116.64 2k3y s GLU 7 Ca -0.09 1.13 -0.33 0.00 0.02 0.00 0.00 54.97 55.70 2k3y s GLU 7 Cb 0.22 -2.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.48 2k3y s GLU 7 CO 0.78 0.34 1.74 1.97 0.02 0.00 0.00 175.26 180.10 2k3y n PHE 8 N 0.66 2.43 -5.05 1.61 1.16 -1.26 -4.72 117.46 112.28 2k3y n PHE 8 Ca -0.00 0.06 -0.32 0.00 -1.87 0.00 0.00 57.45 55.32 2k3y n PHE 8 Cb 0.50 -2.64 -0.15 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 2.19 2.41 -1.65 1.98 0.00 -1.26 -5.01 121.76 120.41 2k3y s ALA 9 Ca 0.83 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2k3y s ALA 9 Cb -0.61 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2k3y s ALA 9 CO 0.40 0.43 0.63 -0.11 0.00 0.00 0.00 175.76 177.11 2k3y n LEU 10 N 2.87 0.00 -0.91 0.00 0.00 -1.26 -1.30 117.00 116.40 2k3y n LEU 10 Ca -0.17 0.14 -0.06 0.00 0.00 0.00 0.00 56.01 55.92 2k3y n LEU 10 Cb 0.52 -0.14 -0.06 0.00 0.00 0.00 0.00 43.42 43.74 2k3y n LEU 10 CO 0.26 -0.14 0.31 0.61 0.00 0.00 0.00 177.39 178.43 2k3y n GLY 11 N -1.13 0.45 2.04 -3.96 0.00 -1.26 -4.24 105.19 97.10 2k3y n GLY 11 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.56 3.89 -0.02 0.00 -0.42 -4.96 105.19 103.13 2k3y n GLY 12 Ca -0.23 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 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 -4.27 3.66 0.22 1.61 0.52 -1.26 -3.96 118.95 115.48 2k3y s ARG 13 Ca 0.38 0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.88 2k3y s ARG 13 Cb -0.01 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 2k3y s ARG 13 CO 0.26 -0.04 0.01 0.14 0.02 0.00 0.00 175.30 175.69 2k3y s VAL 14 N -2.44 0.91 0.02 3.52 -7.23 -0.56 -0.68 120.40 113.94 2k3y s VAL 14 Ca 0.48 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2k3y s VAL 14 Cb -0.10 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 2k3y s VAL 14 CO 0.36 -0.31 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.97 2k3y s LEU 15 N -3.28 2.13 -0.04 1.32 2.01 0.68 -0.85 118.68 120.64 2k3y s LEU 15 Ca 0.29 -0.35 -0.00 0.00 0.01 0.00 0.00 54.13 54.07 2k3y s LEU 15 Cb 0.06 -0.42 0.03 0.00 0.01 0.00 0.00 46.19 45.87 2k3y s LEU 15 CO 0.08 0.00 0.00 0.00 1.01 0.00 0.00 176.35 177.45 2k3y s ALA 16 N -0.70 0.47 -0.34 4.21 0.00 -0.50 -0.91 121.76 123.99 2k3y s ALA 16 Ca -0.00 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 2k3y s ALA 16 Cb -0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2k3y s ALA 16 CO 0.00 -0.23 0.26 0.12 0.00 0.00 0.00 175.76 175.92 2k3y s PHE 17 N 1.43 3.23 -0.13 0.00 5.36 -0.63 -1.18 117.98 126.05 2k3y s PHE 17 Ca -0.04 -0.15 0.16 0.00 -0.96 0.00 0.00 56.93 55.95 2k3y s PHE 17 Cb -0.13 -2.51 -0.09 0.00 -0.34 0.00 0.00 43.02 39.96 2k3y s PHE 17 CO -0.03 -0.36 0.98 0.45 -1.46 0.00 0.00 175.22 174.81 2k3y h HIS 18 N 8.47 0.00 0.00 10.12 3.86 -1.27 -3.43 115.15 132.90 2k3y h HIS 18 Ca -0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2k3y h HIS 18 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 2k3y h HIS 18 CO 0.68 0.54 0.00 0.41 0.86 0.00 0.00 177.93 180.42 2k3y n GLY 19 N 1.35 0.85 0.27 2.45 0.00 -1.26 -4.90 105.19 103.95 2k3y n GLY 19 Ca -0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 0.92 -4.13 1.61 0.13 -1.95 -3.48 132.00 125.10 2k3y h PRO 20 Ca 0.00 -0.32 -0.30 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.97 -0.17 -1.17 -0.23 0.00 0.00 178.00 177.40 2k3y s LEU 21 N -9.31 1.06 0.02 1.56 2.96 -1.26 -4.99 118.68 108.72 2k3y s LEU 21 Ca -0.12 -1.54 -0.02 0.00 -0.22 0.00 0.00 54.13 52.22 2k3y s LEU 21 Cb 0.12 1.52 -0.02 0.00 0.50 0.00 0.00 46.19 48.31 2k3y s LEU 21 CO 0.84 -1.35 0.02 -0.32 -1.32 0.00 0.00 176.35 174.22 2k3y s MET 22 N -2.88 0.40 0.10 1.98 -2.45 -1.26 -0.75 119.30 114.45 2k3y s MET 22 Ca 0.31 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 54.15 2k3y s MET 22 Cb -0.01 0.15 -0.04 0.00 1.25 0.00 0.00 34.83 36.19 2k3y s MET 22 CO 0.22 -0.08 -0.09 0.71 1.05 0.00 0.00 175.02 176.83 2k3y s TYR 23 N -1.76 1.00 0.43 4.11 2.02 -0.33 -4.97 117.35 117.85 2k3y s TYR 23 Ca -0.13 -0.75 -0.20 0.00 -0.37 0.00 0.00 57.07 55.62 2k3y s TYR 23 Cb -0.07 -0.55 -0.11 0.00 -0.40 0.00 0.00 41.96 40.83 2k3y s TYR 23 CO -0.01 -0.05 0.94 -1.21 -1.57 0.00 0.00 175.55 173.65 2k3y s GLU 24 N -3.21 4.21 0.04 -0.62 8.01 -1.26 -1.41 118.70 124.45 2k3y s GLU 24 Ca 0.08 1.09 -0.02 0.00 0.01 0.00 0.00 54.97 56.14 2k3y s GLU 24 Cb 0.00 -2.19 -0.03 0.00 -4.31 0.00 0.00 34.13 27.61 2k3y s GLU 24 CO -0.02 -0.03 -0.01 0.00 0.01 0.00 0.00 175.26 175.22 2k3y s ALA 25 N -2.19 0.25 -0.33 5.21 0.00 -0.03 -1.20 121.76 123.46 2k3y s ALA 25 Ca 0.61 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2k3y s ALA 25 Cb -0.09 0.22 0.14 0.00 0.00 0.00 0.00 23.12 23.39 2k3y s ALA 25 CO 0.14 -0.28 0.26 0.21 0.00 0.00 0.00 175.76 176.10 2k3y s LYS 26 N -2.73 0.45 0.68 0.00 2.20 -0.64 -1.50 119.74 118.21 2k3y s LYS 26 Ca -0.04 -0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 54.65 2k3y s LYS 26 Cb -0.01 -0.95 0.01 0.00 -1.51 0.00 0.00 37.83 35.38 2k3y s LYS 26 CO -0.06 -1.13 1.24 0.42 -0.36 0.00 0.00 175.35 175.47 2k3y s ILE 27 N 1.68 2.24 0.00 5.43 1.01 -1.25 -1.49 121.20 128.81 2k3y s ILE 27 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2k3y s ILE 27 Cb -0.17 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.42 2k3y s ILE 27 CO -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 174.94 174.74 2k3y n LEU 28 N -2.28 0.00 -4.14 2.97 -0.00 -0.84 -4.43 117.00 108.29 2k3y n LEU 28 Ca 0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.91 2k3y n LEU 28 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 2k3y n LEU 28 CO 0.47 0.00 -0.49 -0.75 -0.00 0.00 0.00 177.39 176.62 2k3y s LYS 29 N -0.45 1.35 0.10 1.47 2.20 -1.22 -2.48 119.74 120.72 2k3y s LYS 29 Ca 0.00 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2k3y s LYS 29 Cb 0.00 -1.28 -0.04 0.00 -1.51 0.00 0.00 37.83 35.00 2k3y s LYS 29 CO 0.00 0.33 0.05 0.96 -0.36 0.00 0.00 175.35 176.32 2k3y s ILE 30 N -0.31 0.14 0.02 5.43 -4.36 0.24 -0.35 121.20 122.02 2k3y s ILE 30 Ca 0.05 -1.81 -0.12 0.00 -0.26 0.00 0.00 60.65 58.51 2k3y s ILE 30 Cb -0.07 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.83 2k3y s ILE 30 CO -0.00 -0.64 0.25 0.86 0.24 0.00 0.00 174.94 175.64 2k3y s TRP 31 N -3.99 -0.06 -0.08 1.37 -0.11 -0.04 -1.09 118.94 114.94 2k3y s TRP 31 Ca 0.17 -0.03 -0.07 0.00 1.22 0.00 0.00 56.10 57.38 2k3y s TRP 31 Cb 0.07 0.03 0.02 0.00 -1.50 0.00 0.00 33.47 32.10 2k3y s TRP 31 CO -0.03 -0.41 0.22 0.34 -4.62 0.00 0.00 176.95 172.45 2k3y s ASP 32 N -1.73 -0.23 0.00 5.86 -1.08 -1.24 -1.61 116.67 116.63 2k3y s ASP 32 Ca -0.09 0.44 0.18 0.00 -0.52 0.00 0.00 52.55 52.56 2k3y s ASP 32 Cb -0.03 0.44 1.04 0.00 -1.46 0.00 0.00 42.92 42.91 2k3y s ASP 32 CO -0.00 -0.08 1.47 -0.81 0.52 0.00 0.00 175.17 176.27 2k3y n PRO 33 N 3.04 0.52 0.07 4.34 -0.04 -1.26 -2.53 135.00 139.14 2k3y n PRO 33 Ca -0.13 0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 2k3y n PRO 33 Cb 0.58 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.33 0.00 3.54 0.02 -1.94 -3.33 113.55 112.17 2k3y h SER 34 Ca 0.00 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2k3y h SER 34 Cb 0.02 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2k3y h SER 34 CO 0.00 0.63 -0.02 -1.54 -1.14 0.00 0.00 176.83 174.76 2k3y n SER 35 N -4.10 0.11 -3.81 3.07 3.41 -1.24 -5.03 113.62 106.03 2k3y n SER 35 Ca -0.01 -0.25 -0.26 0.00 -0.26 0.00 0.00 58.87 58.09 2k3y n SER 35 Cb 0.42 0.53 0.01 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.54 -3.00 -3.88 4.33 4.01 -1.05 -5.01 118.16 113.02 2k3y n LYS 36 Ca 0.00 0.47 -0.10 0.00 -0.51 0.00 0.00 58.31 58.18 2k3y n LYS 36 Cb 0.00 -4.55 -0.08 0.00 -0.51 0.00 0.00 35.03 29.88 2k3y n LYS 36 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2k3y s MET 37 N -6.23 0.69 0.44 1.97 -1.94 -1.25 -4.61 119.30 108.36 2k3y s MET 37 Ca 0.15 -0.77 0.07 0.00 -1.71 0.00 0.00 55.69 53.44 2k3y s MET 37 Cb -0.05 0.28 -0.02 0.00 2.01 0.00 0.00 34.83 37.05 2k3y s MET 37 CO 0.86 -0.20 0.34 1.52 -0.01 0.00 0.00 175.02 177.54 2k3y s TYR 38 N -2.93 2.50 0.05 -0.03 1.13 -1.19 -3.70 117.35 113.18 2k3y s TYR 38 Ca -0.02 -0.57 -0.00 0.00 -1.41 0.00 0.00 57.07 55.06 2k3y s TYR 38 Cb 0.01 -2.09 -0.03 0.00 -1.10 0.00 0.00 41.96 38.75 2k3y s TYR 38 CO -0.06 -0.12 -0.03 0.95 -2.51 0.00 0.00 175.55 173.78 2k3y s THR 39 N -2.55 0.24 0.16 -3.49 -4.23 -0.25 -3.91 115.64 101.60 2k3y s THR 39 Ca 0.45 -1.53 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 2k3y s THR 39 Cb -0.01 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.70 2k3y s THR 39 CO 0.26 -0.82 0.36 -0.55 -0.54 0.00 0.00 174.62 173.32 2k3y s SER 40 N -2.46 -0.08 0.08 3.99 0.15 -1.26 -0.59 113.70 113.54 2k3y s SER 40 Ca 0.00 -0.64 -0.13 0.00 0.70 0.00 0.00 55.95 55.89 2k3y s SER 40 Cb 0.02 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2k3y s SER 40 CO -0.07 -0.91 0.29 0.27 1.20 0.00 0.00 173.24 174.03 2k3y s ILE 41 N -3.90 0.10 -0.92 6.45 -4.36 -1.03 -1.34 121.20 116.20 2k3y s ILE 41 Ca 0.11 -0.82 -0.08 0.00 -0.26 0.00 0.00 60.65 59.60 2k3y s ILE 41 Cb 0.02 -1.13 -0.15 0.00 1.25 0.00 0.00 42.46 42.46 2k3y s ILE 41 CO -0.04 -0.45 3.03 -0.81 0.24 0.00 0.00 174.94 176.90 2k3y n PRO 42 N 0.16 2.80 0.32 0.37 -0.04 -1.26 -4.51 135.00 132.84 2k3y n PRO 42 Ca -0.17 -1.62 -0.17 0.00 -0.04 0.00 0.00 63.50 61.50 2k3y n PRO 42 Cb 0.61 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.55 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 4.47 -1.02 -4.71 3.54 -1.24 -1.89 -3.47 115.58 111.25 2k3y h ASN 43 Ca 0.56 0.07 0.07 0.00 0.71 0.00 0.00 56.30 57.71 2k3y h ASN 43 Cb 0.70 0.31 -0.15 0.00 0.73 0.00 0.00 38.32 39.91 2k3y h ASN 43 CO 1.15 -0.59 0.41 -0.62 -1.29 0.00 0.00 177.43 176.50 2k3y s ASP 44 N -4.42 -0.43 0.64 1.15 2.15 -1.26 -5.10 116.67 109.39 2k3y s ASP 44 Ca -0.18 0.05 -0.18 0.00 0.43 0.00 0.00 52.55 52.67 2k3y s ASP 44 Cb 0.04 0.44 -0.01 0.00 -0.30 0.00 0.00 42.92 43.09 2k3y s ASP 44 CO 0.62 -0.69 1.30 -1.59 -0.17 0.00 0.00 175.17 174.64 2k3y s LYS 45 N -3.08 2.61 1.13 4.34 -2.85 -1.26 -4.56 119.74 116.07 2k3y s LYS 45 Ca 0.03 2.07 -0.13 0.00 -1.00 0.00 0.00 55.97 56.94 2k3y s LYS 45 Cb -0.01 -1.88 0.26 0.00 -2.06 0.00 0.00 37.83 34.14 2k3y s LYS 45 CO -0.09 -1.55 1.05 -2.14 0.10 0.00 0.00 175.35 172.72 2k3y s PRO 46 N -3.34 -0.61 0.18 1.78 0.02 -1.26 -4.95 135.00 126.82 2k3y s PRO 46 Ca 0.82 0.60 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 2k3y s PRO 46 Cb -0.38 -1.61 0.10 0.00 0.02 0.00 0.00 34.50 32.63 2k3y s PRO 46 CO 0.40 -3.45 1.79 0.78 -0.33 0.00 0.00 177.00 176.18 2k3y h GLY 47 N -2.42 0.95 -3.13 0.52 0.00 -1.92 -3.31 103.07 93.75 2k3y h GLY 47 Ca -0.58 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.31 2k3y h GLY 47 CO 0.52 0.42 0.00 0.61 0.00 0.00 0.00 176.54 178.09 2k3y n GLY 48 N -1.02 2.71 3.13 4.60 0.00 -1.26 -4.83 105.19 108.53 2k3y n GLY 48 Ca 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.88 0.35 0.03 1.61 0.01 -1.25 -5.10 113.70 108.48 2k3y s SER 49 Ca 0.52 -0.86 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 2k3y s SER 49 Cb 0.34 0.25 -0.17 0.00 0.21 0.00 0.00 66.02 66.65 2k3y s SER 49 CO 0.24 -0.64 1.36 0.28 0.41 0.00 0.00 173.24 174.89 2k3y h SER 50 N 3.03 -0.34 -4.49 2.44 0.02 -1.92 -3.37 113.55 108.92 2k3y h SER 50 Ca -0.34 -0.14 0.15 0.00 -0.84 0.00 0.00 61.79 60.62 2k3y h SER 50 Cb 1.16 0.09 -0.17 0.00 0.14 0.00 0.00 62.40 63.62 2k3y h SER 50 CO 0.62 -0.04 0.59 0.00 -1.14 0.00 0.00 176.83 176.87 2k3y s GLN 51 N -5.03 0.65 0.58 3.45 -2.07 -1.26 -4.75 119.66 111.23 2k3y s GLN 51 Ca -0.15 -0.22 -0.13 0.00 -1.82 0.00 0.00 55.36 53.04 2k3y s GLN 51 Cb 0.03 0.30 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 2k3y s GLN 51 CO 0.58 -0.28 1.01 0.00 -1.32 0.00 0.00 175.29 175.28 2k3y s ALA 52 N -2.81 3.05 -0.43 2.60 0.00 -1.26 -4.96 121.76 117.95 2k3y s ALA 52 Ca 0.06 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2k3y s ALA 52 Cb -0.01 -3.11 0.14 0.00 0.00 0.00 0.00 23.12 20.14 2k3y s ALA 52 CO -0.07 -0.54 0.24 0.95 0.00 0.00 0.00 175.76 176.34 2k3y s THR 53 N -2.91 1.23 0.00 0.00 -4.23 -1.26 -4.60 115.64 103.87 2k3y s THR 53 Ca 0.57 -2.48 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2k3y s THR 53 Cb -0.11 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.87 2k3y s THR 53 CO 0.44 -0.92 0.00 0.29 -0.54 0.00 0.00 174.62 173.89 2k3y n LYS 54 N 3.55 0.00 -1.81 3.99 5.02 -1.26 -4.22 118.16 123.43 2k3y n LYS 54 Ca 0.10 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 2k3y n LYS 54 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.33 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 3.79 0.11 1.97 2.12 -1.26 -3.99 118.70 121.44 2k3y s GLU 55 Ca 0.00 2.16 -0.28 0.00 0.36 0.00 0.00 54.97 57.21 2k3y s GLU 55 Cb 0.00 -4.16 -0.06 0.00 0.26 0.00 0.00 34.13 30.17 2k3y s GLU 55 CO 0.00 -1.33 0.88 0.42 -0.54 0.00 0.00 175.26 174.69 2k3y s ILE 56 N 5.59 4.52 0.26 -3.70 1.01 -0.45 -5.00 121.20 123.44 2k3y s ILE 56 Ca 0.85 1.90 -0.30 0.00 0.00 0.00 0.00 60.65 63.11 2k3y s ILE 56 Cb -0.34 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 37.79 2k3y s ILE 56 CO 0.35 0.37 1.36 -0.54 0.00 0.00 0.00 174.94 176.47 2k3y s LYS 57 N -0.22 4.34 0.41 2.79 -0.14 -1.26 -4.23 119.74 121.43 2k3y s LYS 57 Ca 0.43 2.20 -0.24 0.00 -1.36 0.00 0.00 55.97 57.00 2k3y s LYS 57 Cb -0.23 -3.12 -0.09 0.00 -1.68 0.00 0.00 37.83 32.71 2k3y s LYS 57 CO 0.28 -0.29 1.08 -1.25 -0.76 0.00 0.00 175.35 174.41 2k3y s PRO 58 N -0.75 4.08 0.04 -1.68 0.04 -1.26 -4.94 135.00 130.53 2k3y s PRO 58 Ca 0.55 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 63.17 2k3y s PRO 58 Cb -0.39 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 2k3y s PRO 58 CO 0.45 -0.23 -0.03 -1.14 0.04 0.00 0.00 177.00 176.08 2k3y s GLN 59 N -2.52 0.52 0.03 4.56 2.00 -1.25 -4.95 119.66 118.05 2k3y s GLN 59 Ca 0.59 -1.01 0.06 0.00 -2.00 0.00 0.00 55.36 53.00 2k3y s GLN 59 Cb -0.24 0.14 0.26 0.00 0.80 0.00 0.00 33.01 33.97 2k3y s GLN 59 CO 0.30 -0.08 1.17 1.63 -0.50 0.00 0.00 175.29 177.81 2k3y n LYS 60 N 0.64 0.02 -0.66 1.67 4.76 -1.26 -3.20 118.16 120.13 2k3y n LYS 60 Ca -0.18 0.46 0.01 0.00 -2.87 0.00 0.00 58.31 55.73 2k3y n LYS 60 Cb 0.59 -1.55 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.58 -0.67 0.00 -0.35 0.00 -1.26 -4.76 117.00 108.37 2k3y n LEU 61 Ca 0.01 1.19 0.00 0.00 0.00 0.00 0.00 56.01 57.20 2k3y n LEU 61 Cb 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2k3y n LEU 61 CO 0.04 -0.43 0.00 0.61 0.00 0.00 0.00 177.39 177.61 2k3y n GLY 62 N -2.12 1.14 0.23 -3.96 0.00 -1.26 -5.02 105.19 94.20 2k3y n GLY 62 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.00 1.61 5.08 -2.01 -3.42 114.58 115.84 2k3y h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3y h GLU 63 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k3y h GLU 63 CO 0.00 0.14 0.00 -3.47 -1.00 0.00 0.00 179.01 174.68 2k3y n ASP 64 N -3.22 0.00 -4.66 1.42 2.03 -1.26 -5.14 116.55 105.72 2k3y n ASP 64 Ca 0.01 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.03 2k3y n ASP 64 Cb 0.44 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.01 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 -1.00 0.73 -0.09 -0.67 8.01 -1.26 -5.10 118.70 119.32 2k3y s GLU 65 Ca 0.00 0.91 -0.09 0.00 0.01 0.00 0.00 54.97 55.80 2k3y s GLU 65 Cb 0.00 -1.74 0.02 0.00 -4.31 0.00 0.00 34.13 28.10 2k3y s GLU 65 CO 0.00 -2.63 0.25 -1.12 0.01 0.00 0.00 175.26 171.77 2k3y s SER 66 N -3.13 -0.25 -0.05 -0.19 0.01 -1.26 -4.30 113.70 104.53 2k3y s SER 66 Ca 0.65 0.45 -0.00 0.00 1.31 0.00 0.00 55.95 58.36 2k3y s SER 66 Cb -0.20 0.49 0.03 0.00 0.21 0.00 0.00 66.02 66.55 2k3y s SER 66 CO 0.59 -0.12 0.00 0.27 0.41 0.00 0.00 173.24 174.38 2k3y s ILE 67 N -0.03 0.27 0.84 1.44 -4.36 -1.26 -4.79 121.20 113.31 2k3y s ILE 67 Ca -0.02 0.10 -0.13 0.00 -0.26 0.00 0.00 60.65 60.35 2k3y s ILE 67 Cb -0.02 -0.39 0.06 0.00 1.25 0.00 0.00 42.46 43.36 2k3y s ILE 67 CO 0.01 0.20 0.94 -2.65 0.24 0.00 0.00 174.94 173.68 2k3y n PRO 68 N 4.59 0.02 0.18 0.37 -0.02 -1.26 -4.79 135.00 134.08 2k3y n PRO 68 Ca -0.17 0.08 0.10 0.00 -2.02 0.00 0.00 63.50 61.48 2k3y n PRO 68 Cb 0.50 -2.23 0.51 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.08 0.00 -0.08 -0.52 5.08 -2.01 -1.57 114.58 114.39 2k3y h GLU 69 Ca -0.45 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 2k3y h GLU 69 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2k3y h GLU 69 CO 0.42 0.00 -0.30 0.93 -1.00 0.00 0.00 179.01 179.07 2k3y h GLU 70 N 0.00 0.14 0.00 2.33 4.39 -2.02 -3.31 114.58 116.11 2k3y h GLU 70 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k3y h GLU 70 Cb 0.34 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2k3y h GLU 70 CO 0.00 0.43 -0.21 0.44 -1.16 0.00 0.00 179.01 178.51 2k3y n ILE 71 N -4.14 0.00 -0.20 3.13 -5.35 -0.62 -4.49 119.36 107.68 2k3y n ILE 71 Ca -0.01 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2k3y n ILE 71 Cb 0.37 0.91 0.11 0.00 -1.74 0.00 0.00 39.64 39.29 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 0.74 -0.05 7.28 1.08 -1.58 -2.73 117.51 122.25 2k3y h ILE 72 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2k3y h ILE 72 Cb 0.02 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 2k3y h ILE 72 CO 0.00 0.07 0.00 -0.46 -0.69 0.00 0.00 178.15 177.07 2k3y n ASN 73 N -5.02 0.29 -2.67 1.72 0.23 -1.25 -4.02 115.26 104.53 2k3y n ASN 73 Ca 0.09 -1.95 -0.11 0.00 -0.53 0.00 0.00 54.58 52.07 2k3y n ASN 73 Cb 0.29 -0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 37.94 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 0.61 1.88 3.73 4.83 0.00 -1.03 -4.72 105.19 110.50 2k3y n GLY 74 Ca 0.03 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2k3y n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3y s LYS 75 N -2.50 4.13 0.07 1.61 -0.14 -1.26 -4.15 119.74 117.49 2k3y s LYS 75 Ca 0.22 2.59 0.04 0.00 -1.36 0.00 0.00 55.97 57.46 2k3y s LYS 75 Cb -0.02 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 2k3y s LYS 75 CO 0.16 -0.71 -0.12 -1.12 -0.76 0.00 0.00 175.35 172.80 2k3y s SER 76 N 0.94 1.47 -0.16 2.83 0.01 -0.64 -4.31 113.70 113.84 2k3y s SER 76 Ca 0.71 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 2k3y s SER 76 Cb -0.49 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 65.77 2k3y s SER 76 CO 0.38 -0.12 0.03 -0.36 0.41 0.00 0.00 173.24 173.58 2k3y s PHE 77 N -1.38 0.88 -0.11 2.43 0.08 -0.69 -0.86 117.98 118.33 2k3y s PHE 77 Ca -0.03 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.08 2k3y s PHE 77 Cb -0.09 -0.95 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 2k3y s PHE 77 CO 0.02 -0.53 1.03 0.12 -0.10 0.00 0.00 175.22 175.75 2k3y s PHE 78 N 1.91 3.47 0.06 0.36 5.36 0.53 -1.65 117.98 128.01 2k3y s PHE 78 Ca 0.01 1.55 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 2k3y s PHE 78 Cb -0.16 -3.22 -0.03 0.00 -0.34 0.00 0.00 43.02 39.27 2k3y s PHE 78 CO -0.07 -0.35 -0.05 0.96 -1.46 0.00 0.00 175.22 174.24 2k3y s ILE 79 N 2.12 0.45 -0.25 3.12 -4.36 -0.35 -1.98 121.20 119.96 2k3y s ILE 79 Ca 0.49 -1.54 -0.09 0.00 -0.26 0.00 0.00 60.65 59.25 2k3y s ILE 79 Cb -0.19 -1.16 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 2k3y s ILE 79 CO 0.17 -0.73 0.14 -2.28 0.24 0.00 0.00 174.94 172.48 2k3y s HIS 80 N -2.81 3.21 -0.34 1.37 5.65 -0.56 -2.93 115.29 118.88 2k3y s HIS 80 Ca 0.01 0.01 -0.29 0.00 0.25 0.00 0.00 55.06 55.04 2k3y s HIS 80 Cb -0.00 -2.28 -0.01 0.00 -1.18 0.00 0.00 32.58 29.12 2k3y s HIS 80 CO -0.04 -0.11 1.57 0.71 -0.65 0.00 0.00 174.74 176.22 2k3y s TYR 81 N 1.36 2.17 0.43 3.88 2.02 -1.26 -1.61 117.35 124.33 2k3y s TYR 81 Ca 0.06 0.65 -0.22 0.00 -0.37 0.00 0.00 57.07 57.19 2k3y s TYR 81 Cb -0.15 -4.17 -0.09 0.00 -0.40 0.00 0.00 41.96 37.15 2k3y s TYR 81 CO 0.06 -2.46 1.01 -0.65 -1.57 0.00 0.00 175.55 171.94 2k3y s GLN 82 N 5.08 4.08 0.00 -0.62 -0.21 -0.34 -2.53 119.66 125.12 2k3y s GLN 82 Ca 0.69 1.35 0.00 0.00 0.02 0.00 0.00 55.36 57.42 2k3y s GLN 82 Cb -0.19 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.51 2k3y s GLN 82 CO 0.32 -0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 2k3y n GLY 83 N -0.09 0.36 3.36 3.09 0.00 -1.26 -4.27 105.19 106.38 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 -1.87 1.66 1.13 1.61 0.23 -1.05 -5.14 118.94 115.52 2k3y s TRP 84 Ca 0.00 -1.07 -0.14 0.00 -2.03 0.00 0.00 56.10 52.86 2k3y s TRP 84 Cb 0.00 -1.01 0.26 0.00 0.03 0.00 0.00 33.47 32.74 2k3y s TRP 84 CO 0.00 -0.18 1.05 0.15 0.96 0.00 0.00 176.95 178.93 2k3y s LYS 85 N -3.96 -0.62 0.40 4.98 1.02 -1.26 -4.86 119.74 115.44 2k3y s LYS 85 Ca 0.36 0.52 0.28 0.00 0.02 0.00 0.00 55.97 57.15 2k3y s LYS 85 Cb 0.08 -1.61 1.18 0.00 -0.52 0.00 0.00 37.83 36.95 2k3y s LYS 85 CO 0.13 -3.44 1.84 0.77 -0.92 0.00 0.00 175.35 173.74 2k3y h SER 86 N -2.40 0.00 0.13 2.83 0.02 -1.93 -3.19 113.55 109.01 2k3y h SER 86 Ca -0.56 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.36 2k3y h SER 86 Cb 1.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 2k3y h SER 86 CO 0.51 0.00 -0.10 0.28 -1.14 0.00 0.00 176.83 176.38 2k3y h SER 87 N 0.00 0.00 -0.55 3.07 0.02 -1.95 -3.13 113.55 111.01 2k3y h SER 87 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2k3y h SER 87 Cb 0.43 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2k3y h SER 87 CO 0.00 0.10 0.07 0.79 -1.14 0.00 0.00 176.83 176.65 2k3y n TRP 88 N -4.24 1.94 -1.98 3.45 7.02 -1.21 -4.84 117.44 117.58 2k3y n TRP 88 Ca -0.03 -0.76 -0.40 0.00 -1.02 0.00 0.00 57.50 55.29 2k3y n TRP 88 Cb 0.18 -0.51 -0.03 0.00 -2.42 0.00 0.00 31.31 28.53 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 -0.72 5.50 0.21 -0.99 1.01 -1.18 -4.33 116.67 116.17 2k3y s ASP 89 Ca 0.48 0.88 -0.10 0.00 0.71 0.00 0.00 52.55 54.52 2k3y s ASP 89 Cb 0.37 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 2k3y s ASP 89 CO 0.13 -2.09 0.36 -0.70 0.21 0.00 0.00 175.17 173.08 2k3y s GLU 90 N 6.47 1.35 0.13 8.23 2.12 -1.15 -4.98 118.70 130.88 2k3y s GLU 90 Ca 0.76 -1.26 0.05 0.00 0.36 0.00 0.00 54.97 54.88 2k3y s GLU 90 Cb -0.18 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 2k3y s GLU 90 CO 0.27 -0.53 0.07 -1.58 -0.54 0.00 0.00 175.26 172.96 2k3y s TRP 91 N -4.01 3.07 0.18 5.30 0.52 -1.26 -1.21 118.94 121.53 2k3y s TRP 91 Ca 0.22 -0.02 0.04 0.00 0.02 0.00 0.00 56.10 56.36 2k3y s TRP 91 Cb 0.02 -1.51 -0.05 0.00 -1.15 0.00 0.00 33.47 30.78 2k3y s TRP 91 CO 0.06 0.51 -0.07 0.14 0.02 0.00 0.00 176.95 177.61 2k3y s VAL 92 N -1.59 1.12 0.43 4.03 -7.23 -0.66 -4.93 120.40 111.57 2k3y s VAL 92 Ca 0.29 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 2k3y s VAL 92 Cb -0.11 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.82 2k3y s VAL 92 CO 0.21 -0.60 0.57 -0.83 -0.31 0.00 0.00 175.10 174.15 2k3y s GLY 93 N -3.22 1.95 0.35 2.32 0.00 -1.26 -1.70 107.32 105.77 2k3y s GLY 93 Ca 0.21 -1.72 0.22 0.00 0.00 0.00 0.00 44.72 43.43 2k3y s GLY 93 CO 0.03 -1.52 1.66 -1.82 0.00 0.00 0.00 173.10 171.46 2k3y h TYR 94 N 0.63 0.00 -0.11 1.90 5.03 -1.80 -0.96 116.97 121.67 2k3y h TYR 94 Ca -0.39 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.95 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 0.41 0.00 0.16 0.22 -1.32 0.00 0.00 178.16 177.63 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.95 -3.31 116.42 112.63 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 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2k3y h ASP 95 CO 0.00 0.00 -0.74 0.54 -2.88 0.00 0.00 179.24 176.16 2k3y n ARG 96 N -3.58 0.37 -3.03 0.28 1.74 -0.45 -4.95 116.66 107.03 2k3y n ARG 96 Ca -0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 2k3y n ARG 96 Cb 0.26 -0.87 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.74 4.93 0.09 0.55 2.07 -0.68 -1.60 121.20 124.82 2k3y s ILE 97 Ca 0.00 0.21 -0.17 0.00 -1.41 0.00 0.00 60.65 59.28 2k3y s ILE 97 Cb 0.00 -3.78 0.04 0.00 0.13 0.00 0.00 42.46 38.85 2k3y s ILE 97 CO 0.00 -0.53 0.42 -0.13 -1.91 0.00 0.00 174.94 172.79 2k3y s ARG 98 N -4.00 1.01 0.93 3.50 0.52 -0.09 -4.53 118.95 116.30 2k3y s ARG 98 Ca 0.47 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 2k3y s ARG 98 Cb -0.10 0.45 0.15 0.00 0.52 0.00 0.00 34.95 35.97 2k3y s ARG 98 CO 0.34 -0.38 1.11 0.00 0.02 0.00 0.00 175.30 176.40 2k3y s ALA 99 N -3.18 1.50 0.14 2.13 0.00 -1.26 -0.23 121.76 120.87 2k3y s ALA 99 Ca -0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 2k3y s ALA 99 Cb 0.01 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.94 2k3y s ALA 99 CO -0.07 -2.44 1.70 -0.47 0.00 0.00 0.00 175.76 174.47 2k3y s TYR 100 N -3.12 2.63 0.02 0.00 6.14 0.14 -4.52 117.35 118.64 2k3y s TYR 100 Ca 0.64 0.31 -0.23 0.00 0.64 0.00 0.00 57.07 58.43 2k3y s TYR 100 Cb -0.16 -4.06 0.05 0.00 0.42 0.00 0.00 41.96 38.21 2k3y s TYR 100 CO 0.55 -4.14 0.53 -0.80 0.64 0.00 0.00 175.55 172.33 2k3y s ASN 101 N 1.86 -0.46 0.52 4.32 0.01 -1.26 -4.51 114.94 115.42 2k3y s ASN 101 Ca 0.75 0.27 0.21 0.00 -0.71 0.00 0.00 52.86 53.38 2k3y s ASN 101 Cb -0.45 0.48 1.33 0.00 0.41 0.00 0.00 41.25 43.02 2k3y s ASN 101 CO 0.33 -0.67 2.05 -0.08 -1.51 0.00 0.00 177.10 177.22 2k3y h GLU 102 N 2.93 0.03 -0.52 -0.60 4.81 -1.98 -0.20 114.58 119.04 2k3y h GLU 102 Ca -0.30 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 2k3y h GLU 102 Cb 1.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2k3y h GLU 102 CO 0.41 0.02 0.06 1.49 -0.73 0.00 0.00 179.01 180.25 2k3y h GLU 103 N 0.03 0.88 0.00 1.92 4.81 -1.96 0.75 114.58 121.00 2k3y h GLU 103 Ca 0.16 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 2k3y h GLU 103 Cb 0.60 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k3y h GLU 103 CO -0.01 0.88 -0.33 -0.91 -0.73 0.00 0.00 179.01 177.91 2k3y h ASN 104 N 0.76 0.00 0.16 1.04 2.35 -1.49 -1.41 115.58 116.99 2k3y h ASN 104 Ca 0.15 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 2k3y h ASN 104 Cb 0.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2k3y h ASN 104 CO 0.02 0.33 -0.66 0.40 -1.65 0.00 0.00 177.43 175.87 2k3y h ILE 105 N 0.00 1.35 -0.51 2.81 1.08 -0.79 0.13 117.51 121.57 2k3y h ILE 105 Ca -0.00 -1.99 -0.03 0.00 -0.39 0.00 0.00 64.86 62.45 2k3y h ILE 105 Cb 1.08 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.78 2k3y h ILE 105 CO 0.04 0.61 0.22 0.00 -0.69 0.00 0.00 178.15 178.33 2k3y h ALA 106 N 0.95 0.67 -0.01 1.87 0.00 -0.33 0.24 119.26 122.64 2k3y h ALA 106 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k3y h ALA 106 Cb 1.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2k3y h ALA 106 CO 0.12 0.26 -0.10 1.98 0.00 0.00 0.00 179.25 181.51 2k3y h MET 107 N 0.69 -0.16 -0.68 0.00 1.85 -1.23 -1.62 114.93 113.78 2k3y h MET 107 Ca 0.17 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.29 2k3y h MET 107 Cb 0.17 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.20 2k3y h MET 107 CO -0.02 -0.11 0.44 -0.22 -0.40 0.00 0.00 176.91 176.61 2k3y h LYS 108 N -0.16 0.87 -0.07 0.39 3.64 0.03 -1.53 116.57 119.73 2k3y h LYS 108 Ca 0.04 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 2k3y h LYS 108 Cb 0.22 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2k3y h LYS 108 CO -0.11 0.58 -0.92 -0.22 -2.27 0.00 0.00 179.45 176.50 2k3y h LYS 109 N 0.90 0.75 -0.61 1.90 3.64 -0.46 0.25 116.57 122.94 2k3y h LYS 109 Ca 0.26 -0.71 0.11 0.00 -1.27 0.00 0.00 60.65 59.04 2k3y h LYS 109 Cb -0.07 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 31.85 2k3y h LYS 109 CO -0.07 1.30 0.17 0.00 -2.27 0.00 0.00 179.45 178.57 2k3y h ARG 110 N 0.47 0.31 0.20 1.90 3.08 -0.98 -0.85 114.38 118.50 2k3y h ARG 110 Ca -0.09 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 59.66 2k3y h ARG 110 Cb 1.57 -0.07 0.03 0.00 0.08 0.00 0.00 29.97 31.58 2k3y h ARG 110 CO 0.19 0.20 -1.23 -0.07 -1.07 0.00 0.00 179.97 177.99 2k3y h LEU 111 N 0.31 0.67 -1.79 3.04 3.38 -1.03 -1.36 115.31 118.54 2k3y h LEU 111 Ca 0.32 -0.93 0.18 0.00 0.09 0.00 0.00 57.88 57.54 2k3y h LEU 111 Cb 0.45 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2k3y h LEU 111 CO -0.37 1.59 0.51 0.00 0.09 0.00 0.00 178.44 180.26 2k3y h ALA 112 N 0.11 2.41 0.01 1.53 0.00 -0.49 0.19 119.26 123.03 2k3y h ALA 112 Ca -0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k3y h ALA 112 Cb 1.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2k3y h ALA 112 CO 0.21 -0.63 -0.01 -0.97 0.00 0.00 0.00 179.25 177.86 2k3y h ASN 113 N 0.19 -0.01 -0.00 0.00 -1.24 -1.01 -3.33 115.58 110.17 2k3y h ASN 113 Ca 0.36 -0.77 -0.08 0.00 0.71 0.00 0.00 56.30 56.53 2k3y h ASN 113 Cb 1.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 2k3y h ASN 113 CO -0.07 0.79 -0.22 -0.33 -1.29 0.00 0.00 177.43 176.31 2k3y h GLU 114 N -0.84 0.38 -2.62 6.67 4.39 -0.68 -3.41 114.58 118.47 2k3y h GLU 114 Ca -0.00 -0.13 -0.50 0.00 0.34 0.00 0.00 59.36 59.07 2k3y h GLU 114 Cb 0.78 -0.03 -0.38 0.00 -0.10 0.00 0.00 28.75 29.01 2k3y h GLU 114 CO 0.00 0.58 -0.76 0.00 -1.16 0.00 0.00 179.01 177.67 2k3y s ALA 115 N -4.55 0.45 -0.31 3.43 0.00 0.62 -4.94 121.76 116.46 2k3y s ALA 115 Ca -0.06 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2k3y s ALA 115 Cb 0.14 -1.51 0.04 0.00 0.00 0.00 0.00 23.12 21.79 2k3y s ALA 115 CO 0.77 -1.75 1.04 0.41 0.00 0.00 0.00 175.76 176.23 2k3y n GLY 116 N 5.05 -0.87 0.76 0.00 0.00 -1.25 -4.22 105.19 104.66 2k3y n GLY 116 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.50 0.98 -4.64 1.61 7.64 -1.26 -5.04 113.62 112.42 2k3y n SER 117 Ca -0.29 -2.48 -0.32 0.00 1.01 0.00 0.00 58.87 56.80 2k3y n SER 117 Cb 0.64 -0.32 0.16 0.00 -1.01 0.00 0.00 64.21 63.67 2k3y n SER 117 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k3y n THR 118 N -0.26 0.23 -3.76 0.44 -2.24 -1.26 -4.48 114.28 102.95 2k3y n THR 118 Ca 0.08 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2k3y n THR 118 Cb 0.83 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2k3y n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3y n GLY 119 N 0.46 0.75 0.34 3.38 0.00 -1.26 -5.03 105.19 103.84 2k3y n GLY 119 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.47 0.50 -3.75 1.61 7.64 -1.26 -4.73 113.62 113.16 2k3y n SER 120 Ca 0.00 -1.45 -0.10 0.00 1.01 0.00 0.00 58.87 58.33 2k3y n SER 120 Cb 0.12 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.31 -0.63 -0.61 -0.43 0.00 -1.26 -5.11 121.76 112.42 2k3y s ALA 121 Ca 0.00 -0.18 -0.37 0.00 0.00 0.00 0.00 51.96 51.41 2k3y s ALA 121 Cb 0.00 0.47 -0.17 0.00 0.00 0.00 0.00 23.12 23.41 2k3y s ALA 121 CO 0.00 -0.50 2.33 -2.30 0.00 0.00 0.00 175.76 175.29 2k3y n PRO 122 N 0.18 0.32 -3.84 0.00 -0.02 -1.26 -4.91 135.00 125.47 2k3y n PRO 122 Ca -0.17 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.28 2k3y n PRO 122 Cb 0.61 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3y s ALA 123 N 7.62 -0.39 0.00 3.55 0.00 -1.26 -4.98 121.76 126.30 2k3y s ALA 123 Ca 1.21 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2k3y s ALA 123 Cb -1.19 0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2k3y s ALA 123 CO 0.54 -0.66 0.00 2.41 0.00 0.00 0.00 175.76 178.05 2k3y n THR 124 N -0.22 0.00 0.00 0.00 -1.04 -1.26 -4.74 114.28 107.02 2k3y n THR 124 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2k3y n THR 124 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 2k3y n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3y n GLY 125 N 0.00 0.84 1.93 3.41 0.00 -1.26 -4.79 105.19 105.32 2k3y n GLY 125 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 2.47 0.21 -0.02 0.00 -1.26 -5.11 105.19 101.48 2k3y n GLY 126 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 2.28 0.00 0.00 1.61 0.31 -1.26 -4.41 118.33 116.85 2k3y n VAL 127 Ca 0.24 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2k3y n VAL 127 Cb 0.64 0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.64 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 -0.05 0.00 0.26 5.55 4.76 -1.26 -5.17 118.16 122.24 2k3y n LYS 129 Ca -0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 2k3y n LYS 129 Cb 0.04 0.00 0.52 0.00 -1.84 0.00 0.00 35.03 33.75 2k3y n LYS 129 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2k3y h PRO 130 N 0.00 0.00 -0.89 1.97 0.13 -2.06 -2.98 132.00 128.16 2k3y h PRO 130 Ca 0.00 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.36 2k3y h PRO 130 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2k3y h PRO 130 CO 0.00 0.00 0.62 1.25 -0.23 0.00 0.00 178.00 179.64 2k3y h HIS 131 N 0.00 0.27 -0.00 1.56 -0.00 -2.08 -1.07 115.15 113.83 2k3y h HIS 131 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2k3y h HIS 131 Cb 0.67 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.00 2k3y h HIS 131 CO 0.00 0.06 -0.06 0.54 -0.00 0.00 0.00 177.93 178.47 2k3y n ARG 132 N -4.40 0.21 -1.42 5.26 1.74 -1.13 -4.92 116.66 112.01 2k3y n ARG 132 Ca 0.19 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.90 2k3y n ARG 132 Cb 0.83 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.86 2k3y n ARG 132 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2k3y s TYR 133 N -2.81 2.13 0.00 -1.55 5.04 -0.41 -5.13 117.35 114.63 2k3y s TYR 133 Ca 0.20 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 2k3y s TYR 133 Cb 0.19 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 39.11 2k3y s TYR 133 CO 0.52 -2.43 0.00 -2.13 -1.34 0.00 0.00 175.55 170.17