#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 2.63 0.39 2.03 -7.23 -1.26 -4.93 120.40 112.03 2k3y s VAL 2 Ca 0.00 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 2k3y s VAL 2 Cb 0.00 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2k3y s VAL 2 CO 0.00 -0.11 0.00 -0.67 -0.31 0.00 0.00 175.10 174.01 2k3y n ASP 3 N -1.90 -2.59 0.05 4.85 2.03 -1.26 -4.86 116.55 112.86 2k3y n ASP 3 Ca 0.13 0.73 -0.21 0.00 0.52 0.00 0.00 54.79 55.97 2k3y n ASP 3 Cb 0.50 2.51 -0.11 0.00 -0.72 0.00 0.00 41.12 43.30 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 0.91 -1.65 -2.67 5.85 -1.93 -3.24 115.31 112.58 2k3y h LEU 4 Ca 0.00 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 2k3y h LEU 4 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 2k3y h LEU 4 CO 0.00 1.55 0.08 -0.33 -0.34 0.00 0.00 178.44 179.40 2k3y h GLU 5 N 0.38 0.30 -0.47 1.25 5.08 -1.92 -1.56 114.58 117.63 2k3y h GLU 5 Ca -0.14 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2k3y h GLU 5 Cb 1.74 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 2k3y h GLU 5 CO 0.21 0.26 0.31 0.37 -1.00 0.00 0.00 179.01 179.17 2k3y h GLN 6 N 0.30 0.60 -6.71 2.33 4.15 -1.77 -3.36 115.11 110.64 2k3y h GLN 6 Ca 0.08 -0.04 -0.50 0.00 0.77 0.00 0.00 58.65 58.96 2k3y h GLN 6 Cb 0.08 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2k3y h GLN 6 CO -0.01 0.40 0.06 -1.21 -1.93 0.00 0.00 178.83 176.14 2k3y s GLU 7 N -5.54 3.89 0.02 1.69 2.02 -0.59 -4.37 118.70 115.81 2k3y s GLU 7 Ca -0.09 0.52 -0.33 0.00 0.02 0.00 0.00 54.97 55.10 2k3y s GLU 7 Cb 0.18 -2.46 -0.11 0.00 0.10 0.00 0.00 34.13 31.84 2k3y s GLU 7 CO 0.74 0.12 1.85 1.97 0.02 0.00 0.00 175.26 179.96 2k3y n PHE 8 N -0.65 2.42 -4.67 1.61 1.16 -1.26 -4.71 117.46 111.36 2k3y n PHE 8 Ca 0.03 -0.08 -0.33 0.00 -1.87 0.00 0.00 57.45 55.20 2k3y n PHE 8 Cb 0.53 -2.69 -0.13 0.00 -1.61 0.00 0.00 39.48 35.58 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 3.41 2.75 -1.78 1.98 0.00 -1.26 -5.00 121.76 121.86 2k3y s ALA 9 Ca 0.88 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2k3y s ALA 9 Cb -0.59 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2k3y s ALA 9 CO 0.45 0.28 0.54 -0.11 0.00 0.00 0.00 175.76 176.91 2k3y n LEU 10 N 3.39 0.00 -1.03 0.00 0.00 -1.26 -1.09 117.00 117.01 2k3y n LEU 10 Ca -0.18 0.06 -0.07 0.00 0.00 0.00 0.00 56.01 55.82 2k3y n LEU 10 Cb 0.53 -0.06 -0.06 0.00 0.00 0.00 0.00 43.42 43.82 2k3y n LEU 10 CO 0.31 -0.06 0.35 0.61 0.00 0.00 0.00 177.39 178.60 2k3y n GLY 11 N -1.04 0.51 1.82 -3.96 0.00 -1.26 -4.27 105.19 96.99 2k3y n GLY 11 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2k3y n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 12 N -0.03 -0.37 3.86 -0.02 0.00 -0.25 -4.95 105.19 103.43 2k3y n GLY 12 Ca -0.27 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -4.04 3.89 0.21 1.61 0.52 -1.26 -3.97 118.95 115.91 2k3y s ARG 13 Ca 0.33 0.53 0.04 0.00 -0.52 0.00 0.00 55.73 56.12 2k3y s ARG 13 Cb -0.01 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 2k3y s ARG 13 CO 0.23 0.12 -0.05 0.14 0.02 0.00 0.00 175.30 175.76 2k3y s VAL 14 N -2.09 1.19 -0.02 3.52 -7.23 -0.70 -0.75 120.40 114.32 2k3y s VAL 14 Ca 0.52 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2k3y s VAL 14 Cb -0.10 -2.19 0.03 0.00 0.56 0.00 0.00 36.38 34.68 2k3y s VAL 14 CO 0.23 -0.47 0.03 -0.76 -0.31 0.00 0.00 175.10 173.82 2k3y s LEU 15 N -3.28 1.11 -0.08 1.32 1.43 0.92 -0.54 118.68 119.57 2k3y s LEU 15 Ca 0.25 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2k3y s LEU 15 Cb 0.04 -0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.19 2k3y s LEU 15 CO 0.06 -0.12 -0.18 0.00 0.23 0.00 0.00 176.35 176.34 2k3y s ALA 16 N 1.03 1.70 -0.29 4.21 0.00 -0.58 -1.04 121.76 126.79 2k3y s ALA 16 Ca -0.09 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 2k3y s ALA 16 Cb -0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2k3y s ALA 16 CO -0.03 0.17 0.15 0.12 0.00 0.00 0.00 175.76 176.18 2k3y s PHE 17 N 0.55 3.17 -0.57 0.00 5.36 -0.18 -0.81 117.98 125.50 2k3y s PHE 17 Ca -0.16 -0.28 0.22 0.00 -0.96 0.00 0.00 56.93 55.75 2k3y s PHE 17 Cb -0.17 -2.35 -0.26 0.00 -0.34 0.00 0.00 43.02 39.91 2k3y s PHE 17 CO 0.06 -0.33 0.74 0.72 -1.46 0.00 0.00 175.22 174.94 2k3y n HIS 18 N 5.01 0.02 0.00 10.12 8.25 -0.16 -4.71 115.22 133.75 2k3y n HIS 18 Ca -0.14 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2k3y n HIS 18 Cb 0.51 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 1.39 0.52 0.17 -1.41 0.00 -1.26 -4.90 105.19 99.71 2k3y n GLY 19 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.23 0.00 1.61 0.13 -1.96 -3.48 132.00 128.53 2k3y h PRO 20 Ca 0.00 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 64.88 2k3y h PRO 20 Cb 0.00 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.13 2k3y h PRO 20 CO 0.00 0.73 0.06 -0.11 -0.23 0.00 0.00 178.00 178.45 2k3y n LEU 21 N -3.91 0.00 -4.17 1.56 0.00 -1.26 -5.03 117.00 104.19 2k3y n LEU 21 Ca -0.02 -1.99 -0.22 0.00 0.00 0.00 0.00 56.01 53.78 2k3y n LEU 21 Cb 0.58 2.38 -0.14 0.00 0.00 0.00 0.00 43.42 46.24 2k3y n LEU 21 CO 0.44 -0.56 -0.48 -0.32 0.00 0.00 0.00 177.39 176.46 2k3y s MET 22 N -2.31 1.08 0.04 1.96 -2.45 -1.26 -0.99 119.30 115.38 2k3y s MET 22 Ca 0.16 -0.80 0.05 0.00 -1.25 0.00 0.00 55.69 53.85 2k3y s MET 22 Cb -0.02 -1.12 -0.02 0.00 1.25 0.00 0.00 34.83 34.92 2k3y s MET 22 CO 0.12 0.28 -0.14 0.71 1.05 0.00 0.00 175.02 177.04 2k3y s TYR 23 N -0.81 1.21 0.46 4.11 2.02 0.01 -4.95 117.35 119.39 2k3y s TYR 23 Ca 0.04 -0.37 -0.22 0.00 -0.37 0.00 0.00 57.07 56.15 2k3y s TYR 23 Cb -0.08 -0.71 -0.08 0.00 -0.40 0.00 0.00 41.96 40.68 2k3y s TYR 23 CO 0.01 0.03 1.07 -1.21 -1.57 0.00 0.00 175.55 173.88 2k3y s GLU 24 N -1.21 3.86 0.06 -0.62 8.01 -1.26 -1.53 118.70 126.01 2k3y s GLU 24 Ca 0.01 1.48 0.00 0.00 0.01 0.00 0.00 54.97 56.48 2k3y s GLU 24 Cb -0.08 -2.26 -0.04 0.00 -4.31 0.00 0.00 34.13 27.44 2k3y s GLU 24 CO 0.01 -0.40 -0.05 0.00 0.01 0.00 0.00 175.26 174.84 2k3y s ALA 25 N -1.80 0.66 -0.33 5.21 0.00 0.30 -1.08 121.76 124.72 2k3y s ALA 25 Ca 0.64 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2k3y s ALA 25 Cb -0.20 0.19 0.15 0.00 0.00 0.00 0.00 23.12 23.26 2k3y s ALA 25 CO 0.25 -0.26 0.35 0.21 0.00 0.00 0.00 175.76 176.31 2k3y s LYS 26 N -3.40 0.48 0.68 0.00 2.20 -0.72 -1.73 119.74 117.26 2k3y s LYS 26 Ca 0.05 -0.41 -0.17 0.00 -0.36 0.00 0.00 55.97 55.08 2k3y s LYS 26 Cb 0.03 -0.62 0.01 0.00 -1.51 0.00 0.00 37.83 35.74 2k3y s LYS 26 CO -0.06 -1.10 1.26 -0.89 -0.36 0.00 0.00 175.35 174.20 2k3y n ILE 27 N 4.85 4.32 0.00 5.43 5.41 -1.25 -1.49 119.36 136.62 2k3y n ILE 27 Ca 0.04 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2k3y n ILE 27 Cb 0.46 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 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 -2.15 0.00 -4.56 1.39 -0.00 -0.76 -4.48 117.00 106.44 2k3y n LEU 28 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.87 2k3y n LEU 28 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.80 2k3y n LEU 28 CO 0.47 0.00 -0.44 -0.54 -0.00 0.00 0.00 177.39 176.89 2k3y s LYS 29 N -0.87 2.04 0.19 1.47 1.02 -1.20 -2.22 119.74 120.16 2k3y s LYS 29 Ca 0.00 -1.07 0.01 0.00 0.02 0.00 0.00 55.97 54.93 2k3y s LYS 29 Cb 0.00 -2.25 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2k3y s LYS 29 CO 0.00 0.50 0.04 0.96 -0.92 0.00 0.00 175.35 175.93 2k3y s ILE 30 N -1.21 0.50 0.02 2.17 -0.00 -0.02 -0.69 121.20 121.97 2k3y s ILE 30 Ca 0.21 -1.97 -0.06 0.00 -0.00 0.00 0.00 60.65 58.82 2k3y s ILE 30 Cb -0.11 -2.25 -0.00 0.00 -0.00 0.00 0.00 42.46 40.10 2k3y s ILE 30 CO 0.13 -0.34 0.12 0.86 -0.00 0.00 0.00 174.94 175.71 2k3y s TRP 31 N -3.78 0.11 -0.08 1.37 -0.11 -0.15 -1.15 118.94 115.14 2k3y s TRP 31 Ca 0.28 -0.29 -0.11 0.00 1.22 0.00 0.00 56.10 57.20 2k3y s TRP 31 Cb 0.07 -0.09 0.02 0.00 -1.50 0.00 0.00 33.47 31.98 2k3y s TRP 31 CO 0.06 -0.31 0.28 0.34 -4.62 0.00 0.00 176.95 172.70 2k3y s ASP 32 N -1.66 -0.25 0.08 5.86 -1.08 -1.24 -1.52 116.67 116.85 2k3y s ASP 32 Ca -0.11 0.42 0.15 0.00 -0.52 0.00 0.00 52.55 52.48 2k3y s ASP 32 Cb -0.05 0.50 0.63 0.00 -1.46 0.00 0.00 42.92 42.54 2k3y s ASP 32 CO -0.01 -0.19 1.45 -0.81 0.52 0.00 0.00 175.17 176.13 2k3y n PRO 33 N 2.46 0.05 0.14 4.34 -0.04 -1.25 -2.73 135.00 137.98 2k3y n PRO 33 Ca -0.15 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 63.71 2k3y n PRO 33 Cb 0.57 -1.62 0.47 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.21 0.00 3.54 0.02 -1.93 -3.08 113.55 112.31 2k3y h SER 34 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2k3y h SER 34 Cb 0.22 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2k3y h SER 34 CO 0.00 0.26 0.00 -1.54 -1.14 0.00 0.00 176.83 174.41 2k3y n SER 35 N -4.39 0.53 -4.05 3.07 3.41 -1.25 -5.04 113.62 105.90 2k3y n SER 35 Ca -0.01 -1.03 -0.33 0.00 -0.26 0.00 0.00 58.87 57.25 2k3y n SER 35 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.01 -1.56 -3.77 4.33 5.02 -1.10 -4.98 118.16 116.08 2k3y n LYS 36 Ca 0.00 0.24 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 2k3y n LYS 36 Cb 0.14 -3.72 -0.04 0.00 -0.02 0.00 0.00 35.03 31.39 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 -6.93 1.40 0.45 1.97 0.23 -1.25 -4.60 119.30 110.57 2k3y s MET 37 Ca 0.19 -0.91 0.07 0.00 -1.03 0.00 0.00 55.69 54.01 2k3y s MET 37 Cb -0.09 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.71 2k3y s MET 37 CO 0.94 -0.59 0.30 1.52 -2.03 0.00 0.00 175.02 175.15 2k3y s TYR 38 N -3.89 2.39 0.04 3.16 1.13 -1.26 -3.71 117.35 115.22 2k3y s TYR 38 Ca 0.10 -0.63 -0.02 0.00 -1.41 0.00 0.00 57.07 55.12 2k3y s TYR 38 Cb -0.01 -2.01 -0.03 0.00 -1.10 0.00 0.00 41.96 38.81 2k3y s TYR 38 CO -0.02 -0.08 0.00 0.95 -2.51 0.00 0.00 175.55 173.90 2k3y s THR 39 N -2.61 0.18 0.10 -3.49 -4.23 -0.30 -4.07 115.64 101.22 2k3y s THR 39 Ca 0.41 -1.49 -0.13 0.00 -1.18 0.00 0.00 61.69 59.30 2k3y s THR 39 Cb -0.00 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.69 2k3y s THR 39 CO 0.24 -0.82 0.32 -0.55 -0.54 0.00 0.00 174.62 173.26 2k3y s SER 40 N -2.52 -0.10 0.07 3.99 0.15 -1.26 -0.84 113.70 113.19 2k3y s SER 40 Ca 0.01 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.14 2k3y s SER 40 Cb 0.03 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2k3y s SER 40 CO -0.08 -0.77 0.27 0.27 1.20 0.00 0.00 173.24 174.13 2k3y s ILE 41 N -3.59 0.10 -0.49 6.45 -4.36 -0.94 -1.07 121.20 117.30 2k3y s ILE 41 Ca 0.02 -0.85 -0.04 0.00 -0.26 0.00 0.00 60.65 59.52 2k3y s ILE 41 Cb 0.02 -1.09 -0.09 0.00 1.25 0.00 0.00 42.46 42.56 2k3y s ILE 41 CO -0.10 -0.47 2.13 -0.81 0.24 0.00 0.00 174.94 175.93 2k3y n PRO 42 N 0.29 1.60 0.21 0.37 -0.04 -1.26 -4.47 135.00 131.70 2k3y n PRO 42 Ca -0.17 -1.03 -0.15 0.00 -0.04 0.00 0.00 63.50 62.11 2k3y n PRO 42 Cb 0.61 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.85 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 5.47 -0.43 0.00 3.54 -1.24 -1.86 -3.49 115.58 117.57 2k3y h ASN 43 Ca 0.31 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.34 2k3y h ASN 43 Cb 0.46 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.62 2k3y h ASN 43 CO 0.94 -0.30 0.00 -0.67 -1.29 0.00 0.00 177.43 176.12 2k3y n ASP 44 N -5.30 0.00 -3.50 1.15 2.03 -1.26 -5.09 116.55 104.58 2k3y n ASP 44 Ca -0.10 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.07 2k3y n ASP 44 Cb 0.22 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.58 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 2.24 1.01 1.12 -0.67 -2.85 -1.26 -3.14 119.74 116.19 2k3y s LYS 45 Ca 0.00 -0.08 -0.13 0.00 -1.00 0.00 0.00 55.97 54.76 2k3y s LYS 45 Cb 0.00 0.47 0.25 0.00 -2.06 0.00 0.00 37.83 36.50 2k3y s LYS 45 CO 0.00 -0.38 1.05 -1.25 0.10 0.00 0.00 175.35 174.87 2k3y s PRO 46 N -2.29 -0.55 0.00 1.78 0.04 -1.26 -4.89 135.00 127.82 2k3y s PRO 46 Ca -0.03 0.60 0.04 0.00 0.04 0.00 0.00 61.00 61.64 2k3y s PRO 46 Cb -0.01 -1.62 0.21 0.00 0.04 0.00 0.00 34.50 33.13 2k3y s PRO 46 CO -0.02 -3.41 0.56 0.41 0.04 0.00 0.00 177.00 174.58 2k3y n GLY 47 N -0.06 -0.19 0.00 0.56 0.00 -1.26 -4.54 105.19 99.69 2k3y n GLY 47 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.49 1.24 0.50 -0.02 0.00 -1.26 -4.49 105.19 100.67 2k3y n GLY 48 Ca 0.03 -1.58 0.06 0.00 0.00 0.00 0.00 46.02 44.52 2k3y n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 49 N 0.00 1.50 -3.63 1.61 7.64 -1.26 -4.99 113.62 114.49 2k3y n SER 49 Ca 0.00 -2.93 -0.21 0.00 1.01 0.00 0.00 58.87 56.74 2k3y n SER 49 Cb 0.00 -0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 62.64 2k3y n SER 49 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k3y s SER 50 N -2.46 1.53 0.71 6.43 0.01 -1.26 -5.15 113.70 113.51 2k3y s SER 50 Ca 0.27 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.24 2k3y s SER 50 Cb 0.26 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.46 2k3y s SER 50 CO -0.03 -0.29 1.12 0.00 0.41 0.00 0.00 173.24 174.45 2k3y s GLN 51 N 2.19 2.48 0.15 12.44 -2.07 -1.26 -4.35 119.66 129.24 2k3y s GLN 51 Ca 0.04 1.42 -0.31 0.00 -1.82 0.00 0.00 55.36 54.69 2k3y s GLN 51 Cb -0.14 -1.91 -0.09 0.00 -1.09 0.00 0.00 33.01 29.79 2k3y s GLN 51 CO -0.06 -1.51 1.41 0.00 -1.32 0.00 0.00 175.29 173.81 2k3y s ALA 52 N -2.41 3.61 -0.11 2.60 0.00 -1.19 -4.97 121.76 119.30 2k3y s ALA 52 Ca 0.67 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 53.76 2k3y s ALA 52 Cb -0.21 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2k3y s ALA 52 CO 0.46 -0.64 0.07 1.15 0.00 0.00 0.00 175.76 176.80 2k3y h THR 53 N 4.04 0.24 -1.38 0.00 2.02 -1.91 -3.35 112.91 112.57 2k3y h THR 53 Ca -0.43 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.56 2k3y h THR 53 Cb 1.21 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2k3y h THR 53 CO 0.85 0.08 0.00 0.29 0.37 0.00 0.00 175.52 177.11 2k3y n LYS 54 N -4.73 0.00 -1.81 6.66 5.02 -1.26 -4.54 118.16 117.50 2k3y n LYS 54 Ca -0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 2k3y n LYS 54 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 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 -0.13 3.22 0.08 1.97 2.12 -1.26 -4.02 118.70 120.68 2k3y s GLU 55 Ca 0.00 1.70 -0.30 0.00 0.36 0.00 0.00 54.97 56.73 2k3y s GLU 55 Cb 0.00 -4.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.05 2k3y s GLU 55 CO 0.00 -2.00 1.11 0.42 -0.54 0.00 0.00 175.26 174.26 2k3y s ILE 56 N 7.63 4.21 0.31 -3.70 1.01 -0.23 -4.99 121.20 125.43 2k3y s ILE 56 Ca 0.90 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.92 2k3y s ILE 56 Cb -0.27 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.03 2k3y s ILE 56 CO 0.34 0.17 1.34 -0.54 0.00 0.00 0.00 174.94 176.26 2k3y s LYS 57 N 0.65 4.33 0.25 2.79 3.01 -1.26 -4.18 119.74 125.34 2k3y s LYS 57 Ca 0.54 2.24 -0.30 0.00 -1.01 0.00 0.00 55.97 57.44 2k3y s LYS 57 Cb -0.27 -3.08 -0.09 0.00 -1.01 0.00 0.00 37.83 33.37 2k3y s LYS 57 CO 0.30 -0.25 1.20 -1.25 0.51 0.00 0.00 175.35 175.86 2k3y s PRO 58 N -1.39 4.50 0.06 -1.68 0.04 -1.26 -4.93 135.00 130.35 2k3y s PRO 58 Ca 0.52 1.95 -0.00 0.00 0.04 0.00 0.00 61.00 63.50 2k3y s PRO 58 Cb -0.40 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2k3y s PRO 58 CO 0.50 -0.02 -0.04 -0.65 0.04 0.00 0.00 177.00 176.83 2k3y s GLN 59 N -1.02 0.66 0.17 4.56 -1.52 -1.26 -4.98 119.66 116.27 2k3y s GLN 59 Ca 0.49 -1.25 -0.32 0.00 -1.95 0.00 0.00 55.36 52.34 2k3y s GLN 59 Cb -0.34 0.12 -0.10 0.00 -0.22 0.00 0.00 33.01 32.46 2k3y s GLN 59 CO 0.42 -0.09 1.56 0.21 -0.25 0.00 0.00 175.29 177.14 2k3y s LYS 60 N -3.90 4.22 0.61 2.91 2.47 -1.26 -4.07 119.74 120.72 2k3y s LYS 60 Ca 0.08 2.35 -0.14 0.00 -1.56 0.00 0.00 55.97 56.71 2k3y s LYS 60 Cb 0.07 -3.15 -0.03 0.00 -1.46 0.00 0.00 37.83 33.26 2k3y s LYS 60 CO -0.09 -0.60 1.04 -1.17 0.16 0.00 0.00 175.35 174.70 2k3y s LEU 61 N 1.09 3.40 0.00 5.43 0.20 -1.26 -4.76 118.68 122.79 2k3y s LEU 61 Ca 0.70 1.69 0.00 0.00 0.69 0.00 0.00 54.13 57.21 2k3y s LEU 61 Cb -0.44 -4.51 0.00 0.00 -0.43 0.00 0.00 46.19 40.81 2k3y s LEU 61 CO 0.32 -1.13 0.00 0.61 -0.29 0.00 0.00 176.35 175.86 2k3y n GLY 62 N -1.48 1.99 0.15 7.98 0.00 -1.26 -5.04 105.19 107.53 2k3y n GLY 62 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 0.52 0.00 1.61 4.39 -2.03 -3.45 114.58 115.62 2k3y h GLU 63 Ca 0.00 -0.81 0.00 0.00 0.34 0.00 0.00 59.36 58.89 2k3y h GLU 63 Cb 0.00 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2k3y h GLU 63 CO 0.00 1.38 0.00 -3.47 -1.16 0.00 0.00 179.01 175.76 2k3y n ASP 64 N -3.84 0.00 -2.54 1.42 2.03 -1.26 -5.02 116.55 107.34 2k3y n ASP 64 Ca -0.15 -0.90 -0.18 0.00 0.52 0.00 0.00 54.79 54.07 2k3y n ASP 64 Cb 1.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.42 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 2.48 -0.89 -0.67 0.00 -1.26 -5.09 120.64 115.20 2k3y n GLU 65 Ca 0.00 -3.95 -0.30 0.00 0.00 0.00 0.00 57.16 52.91 2k3y n GLU 65 Cb 0.34 -1.83 -0.01 0.00 0.00 0.00 0.00 31.44 29.93 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 -0.34 -1.25 -3.88 -1.84 7.64 -1.26 -4.70 113.62 107.99 2k3y n SER 66 Ca 0.26 0.66 -0.16 0.00 1.01 0.00 0.00 58.87 60.63 2k3y n SER 66 Cb 0.75 -0.60 -0.15 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.83 0.29 0.77 0.44 -4.36 -1.26 -4.86 121.20 111.40 2k3y s ILE 67 Ca 0.41 -0.06 -0.11 0.00 -0.26 0.00 0.00 60.65 60.63 2k3y s ILE 67 Cb -0.53 -0.31 0.06 0.00 1.25 0.00 0.00 42.46 42.92 2k3y s ILE 67 CO 0.38 0.13 1.09 -2.16 0.24 0.00 0.00 174.94 174.63 2k3y s PRO 68 N 0.49 2.26 0.62 0.37 0.04 -1.26 -4.80 135.00 132.72 2k3y s PRO 68 Ca -0.05 1.15 0.31 0.00 0.04 0.00 0.00 61.00 62.45 2k3y s PRO 68 Cb -0.08 -1.90 1.68 0.00 0.04 0.00 0.00 34.50 34.24 2k3y s PRO 68 CO -0.01 -1.64 2.02 0.93 0.04 0.00 0.00 177.00 178.35 2k3y h GLU 69 N -1.13 0.00 -0.60 4.56 5.08 -2.01 -0.63 114.58 119.85 2k3y h GLU 69 Ca -0.44 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 2k3y h GLU 69 Cb 1.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2k3y h GLU 69 CO 0.52 0.00 0.40 0.93 -1.00 0.00 0.00 179.01 179.85 2k3y h GLU 70 N 0.00 0.44 0.00 2.33 3.07 -2.00 -3.00 114.58 115.42 2k3y h GLU 70 Ca 0.09 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2k3y h GLU 70 Cb 0.66 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2k3y h GLU 70 CO -0.00 0.29 -0.01 0.44 -1.40 0.00 0.00 179.01 178.34 2k3y n ILE 71 N -4.47 0.00 0.00 3.13 -5.35 -0.30 -4.43 119.36 107.93 2k3y n ILE 71 Ca 0.09 -0.50 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 2k3y n ILE 71 Cb 0.33 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.18 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 0.98 0.00 7.28 1.08 -1.42 -3.08 117.51 122.35 2k3y h ILE 72 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2k3y h ILE 72 Cb 0.00 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 2k3y h ILE 72 CO 0.00 0.01 0.00 0.59 -0.69 0.00 0.00 178.15 178.06 2k3y n ASN 73 N -5.07 0.00 -2.83 1.72 3.02 -1.14 -3.75 115.26 107.22 2k3y n ASN 73 Ca -0.05 -1.72 -0.12 0.00 -0.03 0.00 0.00 54.58 52.66 2k3y n ASN 73 Cb 0.05 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 2k3y n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k3y n GLY 74 N 0.41 1.81 3.75 7.41 0.00 -1.16 -4.83 105.19 112.57 2k3y n GLY 74 Ca 0.01 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2k3y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3y n LYS 75 N -0.54 2.64 -4.06 1.61 4.76 -1.26 -4.21 118.16 117.11 2k3y n LYS 75 Ca -0.02 0.93 -0.12 0.00 -2.87 0.00 0.00 58.31 56.23 2k3y n LYS 75 Cb 0.56 -2.68 -0.11 0.00 -1.84 0.00 0.00 35.03 30.95 2k3y n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3y s SER 76 N 0.21 0.80 -0.14 4.39 0.01 -0.58 -4.21 113.70 114.19 2k3y s SER 76 Ca 0.60 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 57.26 2k3y s SER 76 Cb -0.50 0.05 0.04 0.00 0.21 0.00 0.00 66.02 65.83 2k3y s SER 76 CO 0.55 -0.23 0.02 -0.36 0.41 0.00 0.00 173.24 173.63 2k3y s PHE 77 N -1.54 0.88 -0.12 2.43 0.08 -0.75 -0.98 117.98 117.99 2k3y s PHE 77 Ca -0.09 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.11 2k3y s PHE 77 Cb -0.09 -0.94 -0.01 0.00 -0.57 0.00 0.00 43.02 41.41 2k3y s PHE 77 CO -0.00 -0.49 1.01 0.12 -0.10 0.00 0.00 175.22 175.76 2k3y s PHE 78 N 1.90 3.50 0.05 0.36 5.36 0.14 -1.62 117.98 127.66 2k3y s PHE 78 Ca 0.02 1.58 0.01 0.00 -0.96 0.00 0.00 56.93 57.58 2k3y s PHE 78 Cb -0.15 -3.20 -0.03 0.00 -0.34 0.00 0.00 43.02 39.31 2k3y s PHE 78 CO -0.07 -0.25 -0.05 0.96 -1.46 0.00 0.00 175.22 174.34 2k3y s ILE 79 N 2.11 0.39 -0.22 3.12 -4.36 -0.39 -1.83 121.20 120.03 2k3y s ILE 79 Ca 0.48 -1.36 -0.14 0.00 -0.26 0.00 0.00 60.65 59.37 2k3y s ILE 79 Cb -0.18 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.57 2k3y s ILE 79 CO 0.17 -0.64 0.31 -2.28 0.24 0.00 0.00 174.94 172.75 2k3y s HIS 80 N -2.37 3.34 -0.48 1.37 5.65 -0.55 -2.95 115.29 119.29 2k3y s HIS 80 Ca -0.04 0.45 -0.28 0.00 0.25 0.00 0.00 55.06 55.45 2k3y s HIS 80 Cb -0.03 -2.45 0.00 0.00 -1.18 0.00 0.00 32.58 28.93 2k3y s HIS 80 CO -0.03 -0.02 1.51 0.71 -0.65 0.00 0.00 174.74 176.27 2k3y s TYR 81 N 1.33 2.19 0.51 3.88 2.02 -1.26 -1.76 117.35 124.27 2k3y s TYR 81 Ca 0.15 0.59 -0.20 0.00 -0.37 0.00 0.00 57.07 57.24 2k3y s TYR 81 Cb -0.14 -4.30 -0.07 0.00 -0.40 0.00 0.00 41.96 37.05 2k3y s TYR 81 CO 0.07 -2.15 1.09 -0.65 -1.57 0.00 0.00 175.55 172.35 2k3y s GLN 82 N 5.49 3.58 0.00 -0.62 -0.21 -0.24 -1.99 119.66 125.67 2k3y s GLN 82 Ca 0.61 1.52 0.00 0.00 0.02 0.00 0.00 55.36 57.51 2k3y s GLN 82 Cb -0.14 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.80 2k3y s GLN 82 CO 0.28 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 173.22 2k3y n GLY 83 N 0.02 0.38 3.45 3.09 0.00 -1.26 -4.41 105.19 106.46 2k3y n GLY 83 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2k3y n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3y s TRP 84 N -2.05 1.99 1.11 1.61 0.52 -0.84 -5.15 118.94 116.13 2k3y s TRP 84 Ca 0.00 -0.84 -0.14 0.00 0.02 0.00 0.00 56.10 55.14 2k3y s TRP 84 Cb 0.00 -1.25 0.25 0.00 -1.15 0.00 0.00 33.47 31.31 2k3y s TRP 84 CO 0.00 0.14 1.06 0.15 0.02 0.00 0.00 176.95 178.32 2k3y s LYS 85 N -3.82 -0.48 0.59 4.98 1.02 -1.26 -4.85 119.74 115.92 2k3y s LYS 85 Ca 0.34 0.49 0.36 0.00 0.02 0.00 0.00 55.97 57.17 2k3y s LYS 85 Cb 0.07 -1.63 1.82 0.00 -0.52 0.00 0.00 37.83 37.57 2k3y s LYS 85 CO 0.14 -3.34 2.18 0.77 -0.92 0.00 0.00 175.35 174.18 2k3y h SER 86 N -2.33 0.00 0.23 2.83 0.02 -1.94 -3.11 113.55 109.24 2k3y h SER 86 Ca -0.56 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 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 0.04 -0.08 0.28 -1.14 0.00 0.00 176.83 176.44 2k3y h SER 87 N 0.00 0.00 -0.53 3.07 0.02 -1.93 -2.95 113.55 111.24 2k3y h SER 87 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3y h SER 87 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2k3y h SER 87 CO 0.00 0.08 0.00 0.79 -1.14 0.00 0.00 176.83 176.57 2k3y n TRP 88 N -3.77 1.79 -2.00 3.45 7.02 -1.18 -4.85 117.44 117.90 2k3y n TRP 88 Ca -0.02 -0.74 -0.40 0.00 -1.02 0.00 0.00 57.50 55.32 2k3y n TRP 88 Cb 0.19 -0.44 -0.03 0.00 -2.42 0.00 0.00 31.31 28.61 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 -1.01 5.44 0.22 -0.99 1.01 -1.11 -4.27 116.67 115.95 2k3y s ASP 89 Ca 0.52 0.72 -0.10 0.00 0.71 0.00 0.00 52.55 54.39 2k3y s ASP 89 Cb 0.39 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 2k3y s ASP 89 CO 0.16 -2.17 0.38 -0.70 0.21 0.00 0.00 175.17 173.05 2k3y s GLU 90 N 6.62 1.38 0.12 8.23 2.56 -1.15 -4.98 118.70 131.47 2k3y s GLU 90 Ca 0.73 -1.26 0.04 0.00 0.00 0.00 0.00 54.97 54.48 2k3y s GLU 90 Cb -0.16 0.42 -0.04 0.00 2.00 0.00 0.00 34.13 36.35 2k3y s GLU 90 CO 0.26 -0.54 0.12 -1.58 -0.56 0.00 0.00 175.26 172.95 2k3y s TRP 91 N -4.02 3.20 0.14 5.30 0.52 -1.26 -1.26 118.94 121.56 2k3y s TRP 91 Ca 0.23 0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.44 2k3y s TRP 91 Cb 0.01 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2k3y s TRP 91 CO 0.06 0.52 -0.11 0.14 0.02 0.00 0.00 176.95 177.59 2k3y s VAL 92 N -1.57 1.16 0.45 4.03 -7.23 -0.64 -4.93 120.40 111.67 2k3y s VAL 92 Ca 0.30 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2k3y s VAL 92 Cb -0.11 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2k3y s VAL 92 CO 0.23 -0.69 0.64 -0.83 -0.31 0.00 0.00 175.10 174.14 2k3y s GLY 93 N -3.02 1.71 0.63 2.32 0.00 -1.26 -1.81 107.32 105.89 2k3y s GLY 93 Ca 0.15 -1.32 0.37 0.00 0.00 0.00 0.00 44.72 43.91 2k3y s GLY 93 CO 0.01 -1.13 2.12 -1.82 0.00 0.00 0.00 173.10 172.27 2k3y h TYR 94 N 0.44 0.00 -0.09 1.90 5.03 -1.78 -0.40 116.97 122.06 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 -1.94 -3.27 116.42 112.68 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 -0.93 0.54 -2.88 0.00 0.00 179.24 175.97 2k3y n ARG 96 N -3.41 0.54 -3.91 0.28 1.74 -0.26 -4.95 116.66 106.69 2k3y n ARG 96 Ca -0.01 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 2k3y n ARG 96 Cb 0.27 -0.96 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.93 5.32 0.07 0.55 2.07 -0.64 -1.01 121.20 125.64 2k3y s ILE 97 Ca 0.00 -0.62 -0.13 0.00 -1.41 0.00 0.00 60.65 58.49 2k3y s ILE 97 Cb 0.00 -3.73 0.02 0.00 0.13 0.00 0.00 42.46 38.88 2k3y s ILE 97 CO 0.00 -0.08 0.31 -0.13 -1.91 0.00 0.00 174.94 173.13 2k3y s ARG 98 N -3.17 0.88 0.83 3.50 0.52 -0.21 -4.47 118.95 116.84 2k3y s ARG 98 Ca 0.35 -0.63 -0.11 0.00 -0.52 0.00 0.00 55.73 54.82 2k3y s ARG 98 Cb -0.11 0.38 0.09 0.00 0.52 0.00 0.00 34.95 35.83 2k3y s ARG 98 CO 0.28 -0.30 1.09 0.00 0.02 0.00 0.00 175.30 176.40 2k3y s ALA 99 N -3.08 1.94 -0.34 2.13 0.00 -1.26 -0.05 121.76 121.09 2k3y s ALA 99 Ca -0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 2k3y s ALA 99 Cb 0.01 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 2k3y s ALA 99 CO -0.07 -2.01 1.44 -0.47 0.00 0.00 0.00 175.76 174.65 2k3y s TYR 100 N -2.99 2.40 0.17 0.00 6.14 0.07 -4.60 117.35 118.54 2k3y s TYR 100 Ca 0.62 0.71 -0.20 0.00 0.64 0.00 0.00 57.07 58.84 2k3y s TYR 100 Cb -0.17 -4.13 0.05 0.00 0.42 0.00 0.00 41.96 38.13 2k3y s TYR 100 CO 0.56 -2.11 0.55 0.54 0.64 0.00 0.00 175.55 175.72 2k3y s ASN 101 N 3.80 -0.38 0.39 4.32 2.20 -1.26 -4.46 114.94 119.55 2k3y s ASN 101 Ca 0.63 -0.26 0.13 0.00 -0.94 0.00 0.00 52.86 52.42 2k3y s ASN 101 Cb -0.17 0.58 0.96 0.00 -2.00 0.00 0.00 41.25 40.62 2k3y s ASN 101 CO 0.29 -1.00 1.86 -0.08 -2.94 0.00 0.00 177.10 175.23 2k3y h GLU 102 N 2.13 0.52 -0.52 3.55 4.22 -1.94 0.35 114.58 122.90 2k3y h GLU 102 Ca -0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.07 2k3y h GLU 102 Cb 1.28 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2k3y h GLU 102 CO 0.38 0.34 0.23 1.49 -2.18 0.00 0.00 179.01 179.28 2k3y h GLU 103 N 0.53 0.75 0.00 1.92 4.81 -1.98 0.44 114.58 121.06 2k3y h GLU 103 Ca 0.46 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2k3y h GLU 103 Cb 0.95 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2k3y h GLU 103 CO -0.20 0.64 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.60 2k3y h ASN 104 N 0.69 0.00 0.09 1.04 2.35 -1.31 -1.61 115.58 116.83 2k3y h ASN 104 Ca 0.17 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 2k3y h ASN 104 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2k3y h ASN 104 CO -0.02 0.21 -0.52 0.40 -1.65 0.00 0.00 177.43 175.86 2k3y h ILE 105 N 0.00 1.33 -0.65 2.81 1.08 -0.66 0.26 117.51 121.68 2k3y h ILE 105 Ca -0.00 -1.76 -0.02 0.00 -0.39 0.00 0.00 64.86 62.69 2k3y h ILE 105 Cb 1.05 1.76 -0.03 0.00 -3.07 0.00 0.00 36.82 36.53 2k3y h ILE 105 CO 0.03 0.54 0.31 0.00 -0.69 0.00 0.00 178.15 178.34 2k3y h ALA 106 N 1.08 0.84 -0.32 1.87 0.00 -0.36 0.18 119.26 122.55 2k3y h ALA 106 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k3y h ALA 106 Cb 1.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2k3y h ALA 106 CO 0.09 0.40 0.21 1.98 0.00 0.00 0.00 179.25 181.94 2k3y h MET 107 N 0.90 0.42 -0.51 0.00 1.85 -1.12 -1.68 114.93 114.78 2k3y h MET 107 Ca 0.22 -0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.25 2k3y h MET 107 Cb 0.12 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 2k3y h MET 107 CO -0.03 0.28 0.18 -0.22 -0.40 0.00 0.00 176.91 176.73 2k3y h LYS 108 N 0.44 0.78 -0.15 0.39 3.64 0.22 -0.75 116.57 121.14 2k3y h LYS 108 Ca 0.12 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 2k3y h LYS 108 Cb -0.05 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2k3y h LYS 108 CO -0.03 0.71 -0.39 1.57 -2.27 0.00 0.00 179.45 179.04 2k3y h LYS 109 N 0.69 0.54 -0.73 1.90 2.10 -0.60 0.22 116.57 120.69 2k3y h LYS 109 Ca 0.17 -0.37 0.18 0.00 -2.00 0.00 0.00 60.65 58.63 2k3y h LYS 109 Cb 0.24 0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.58 2k3y h LYS 109 CO -0.01 0.99 0.51 -0.09 -2.00 0.00 0.00 179.45 178.84 2k3y h ARG 110 N 0.17 0.19 0.07 0.07 1.12 -1.09 0.32 114.38 115.24 2k3y h ARG 110 Ca -0.01 -0.01 -0.25 0.00 -1.11 0.00 0.00 59.98 58.61 2k3y h ARG 110 Cb 1.00 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.91 2k3y h ARG 110 CO 0.08 0.13 -1.29 -0.07 -3.11 0.00 0.00 179.97 175.71 2k3y h LEU 111 N 0.20 0.25 -1.99 3.80 3.38 -0.70 -3.30 115.31 116.94 2k3y h LEU 111 Ca 0.36 -0.78 0.08 0.00 0.09 0.00 0.00 57.88 57.62 2k3y h LEU 111 Cb 1.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2k3y h LEU 111 CO -0.07 1.55 0.40 0.00 0.09 0.00 0.00 178.44 180.41 2k3y h ALA 112 N -0.15 1.85 -0.23 1.53 0.00 -0.35 -0.14 119.26 121.76 2k3y h ALA 112 Ca -0.30 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2k3y h ALA 112 Cb 1.59 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2k3y h ALA 112 CO -0.02 -0.53 -0.27 -0.97 0.00 0.00 0.00 179.25 177.46 2k3y h ASN 113 N 0.00 0.64 -0.23 0.00 -1.24 -1.04 -3.34 115.58 110.37 2k3y h ASN 113 Ca 0.13 -0.49 -0.05 0.00 0.71 0.00 0.00 56.30 56.60 2k3y h ASN 113 Cb 0.92 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 2k3y h ASN 113 CO -0.00 1.00 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.77 2k3y h GLU 114 N 0.30 0.43 -2.69 6.67 4.39 -1.10 -3.48 114.58 119.10 2k3y h GLU 114 Ca 0.03 -0.16 0.10 0.00 0.34 0.00 0.00 59.36 59.68 2k3y h GLU 114 Cb 0.83 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 2k3y h GLU 114 CO 0.06 0.65 0.43 0.00 -1.16 0.00 0.00 179.01 178.99 2k3y s ALA 115 N -4.84 -1.31 0.10 3.43 0.00 -1.06 -4.79 121.76 113.29 2k3y s ALA 115 Ca -0.14 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.53 2k3y s ALA 115 Cb 0.07 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 2k3y s ALA 115 CO 0.75 -1.03 -0.15 0.20 0.00 0.00 0.00 175.76 175.53 2k3y s GLY 116 N -3.14 0.99 0.13 0.00 0.00 -1.26 -3.99 107.32 100.05 2k3y s GLY 116 Ca 0.16 -1.15 0.13 0.00 0.00 0.00 0.00 44.72 43.86 2k3y s GLY 116 CO 0.07 -1.19 1.40 1.44 0.00 0.00 0.00 173.10 174.82 2k3y n SER 117 N 0.93 0.26 0.20 1.64 7.64 -1.26 -3.27 113.62 119.76 2k3y n SER 117 Ca -0.19 0.60 0.16 0.00 1.01 0.00 0.00 58.87 60.45 2k3y n SER 117 Cb 0.55 -0.64 0.80 0.00 -1.01 0.00 0.00 64.21 63.91 2k3y n SER 117 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2k3y h THR 118 N 0.00 0.58 0.00 0.44 2.02 -1.98 -3.47 112.91 110.51 2k3y h THR 118 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k3y h THR 118 Cb 0.12 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2k3y h THR 118 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2k3y n GLY 119 N -1.44 1.26 0.21 2.16 0.00 -1.20 -4.65 105.19 101.52 2k3y n GLY 119 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 2.19 0.33 -4.61 1.61 7.64 -1.26 -4.28 113.62 115.24 2k3y n SER 120 Ca 0.00 -1.57 -0.29 0.00 1.01 0.00 0.00 58.87 58.02 2k3y n SER 120 Cb 0.00 -0.16 0.20 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.58 0.45 -1.80 -0.43 0.00 -1.26 -4.89 121.76 112.24 2k3y s ALA 121 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2k3y s ALA 121 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2k3y s ALA 121 CO 0.00 -3.20 0.18 -2.30 0.00 0.00 0.00 175.76 170.44 2k3y n PRO 122 N -4.45 0.00 -3.63 0.00 -0.02 -1.26 -4.01 135.00 121.62 2k3y n PRO 122 Ca 0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.32 2k3y n PRO 122 Cb 0.56 -1.20 -0.17 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.84 0.11 -0.98 3.55 0.00 -1.26 -5.07 121.76 116.27 2k3y s ALA 123 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 2k3y s ALA 123 Cb 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 23.12 22.33 2k3y s ALA 123 CO 0.00 -0.76 2.61 0.25 0.00 0.00 0.00 175.76 177.86 2k3y n THR 124 N 5.30 4.43 -0.25 0.00 -2.24 -1.26 -4.80 114.28 115.47 2k3y n THR 124 Ca -0.05 -3.63 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 2k3y n THR 124 Cb 0.50 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 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 1.57 -1.26 1.89 3.38 0.00 -1.26 -5.03 105.19 104.49 2k3y n GLY 125 Ca 0.58 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.09 0.43 0.00 -0.02 0.00 -1.26 -4.93 105.19 99.32 2k3y n GLY 126 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2k3y n GLY 126 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k3y n VAL 127 N -3.27 0.00 0.00 1.61 0.24 -1.26 -4.37 118.33 111.28 2k3y n VAL 127 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2k3y n VAL 127 Cb 0.17 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2k3y n LYS 129 N 0.00 0.00 0.19 7.34 4.76 -1.26 -5.10 118.16 124.08 2k3y n LYS 129 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 2k3y n LYS 129 Cb 0.00 0.00 0.47 0.00 -1.84 0.00 0.00 35.03 33.66 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 -6.76 1.97 0.13 -2.07 -3.48 132.00 121.80 2k3y h PRO 130 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2k3y h PRO 130 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2k3y h PRO 130 CO 0.00 0.00 -0.96 1.58 -0.23 0.00 0.00 178.00 178.39 2k3y n HIS 131 N -2.67 -1.50 -0.75 1.56 -0.00 -1.26 -2.18 115.22 108.43 2k3y n HIS 131 Ca 0.03 0.48 0.00 0.00 0.46 0.00 0.00 57.72 58.68 2k3y n HIS 131 Cb 0.35 -3.15 0.00 0.00 -0.12 0.00 0.00 29.99 27.07 2k3y n HIS 131 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2k3y n ARG 132 N -4.61 -0.06 -1.20 1.57 1.74 -1.26 -5.00 116.66 107.85 2k3y n ARG 132 Ca -0.23 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.56 2k3y n ARG 132 Cb 0.64 -3.60 0.12 0.00 -1.02 0.00 0.00 32.46 28.60 2k3y n ARG 132 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2k3y s TYR 133 N -2.35 2.41 0.00 -1.55 2.02 -0.93 -5.33 117.35 111.63 2k3y s TYR 133 Ca 0.00 1.43 0.00 0.00 -0.37 0.00 0.00 57.07 58.13 2k3y s TYR 133 Cb 0.00 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.45 2k3y s TYR 133 CO 0.00 -2.12 0.00 0.54 -1.57 0.00 0.00 175.55 172.40