#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 2.27 0.00 1.12 -7.23 -1.26 -4.80 120.40 110.50 2k3y s VAL 2 Ca 0.00 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 2k3y s VAL 2 Cb 0.00 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.79 2k3y s VAL 2 CO 0.00 0.04 0.00 -0.67 -0.31 0.00 0.00 175.10 174.16 2k3y n ASP 3 N 0.11 0.00 0.02 4.85 2.03 -1.26 -4.96 116.55 117.33 2k3y n ASP 3 Ca 0.03 0.00 0.22 0.00 0.52 0.00 0.00 54.79 55.56 2k3y n ASP 3 Cb 0.42 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.55 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 0.00 -1.17 -2.67 5.85 -1.95 -1.11 115.31 114.27 2k3y h LEU 4 Ca 0.00 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.93 2k3y h LEU 4 Cb 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 2k3y h LEU 4 CO 0.00 0.00 0.62 -0.08 -0.34 0.00 0.00 178.44 178.64 2k3y h GLU 5 N 0.00 0.60 0.00 1.25 4.81 -1.93 -0.82 114.58 118.50 2k3y h GLU 5 Ca 0.25 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2k3y h GLU 5 Cb 1.22 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2k3y h GLU 5 CO -0.00 0.40 -0.13 0.37 -0.73 0.00 0.00 179.01 178.92 2k3y h GLN 6 N 0.62 0.00 -6.37 1.92 4.15 -1.41 -3.39 115.11 110.64 2k3y h GLN 6 Ca 0.57 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 59.53 2k3y h GLN 6 Cb 1.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2k3y h GLN 6 CO -0.33 0.13 -0.31 -1.21 -1.93 0.00 0.00 178.83 175.18 2k3y s GLU 7 N -4.19 3.36 -0.44 1.69 2.02 -0.31 -4.45 118.70 116.38 2k3y s GLU 7 Ca -0.03 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 2k3y s GLU 7 Cb 0.13 -2.77 -0.32 0.00 0.10 0.00 0.00 34.13 31.27 2k3y s GLU 7 CO 0.59 0.21 1.80 1.97 0.02 0.00 0.00 175.26 179.85 2k3y n PHE 8 N -1.63 0.40 -2.18 1.61 1.16 -1.26 -4.72 117.46 110.84 2k3y n PHE 8 Ca -0.05 -0.40 -0.42 0.00 -1.87 0.00 0.00 57.45 54.71 2k3y n PHE 8 Cb 0.57 -1.50 -0.03 0.00 -1.61 0.00 0.00 39.48 36.92 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 11.04 3.58 -1.53 1.98 0.00 -1.26 -4.85 121.76 130.72 2k3y s ALA 9 Ca 0.74 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.84 2k3y s ALA 9 Cb 0.07 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.75 2k3y s ALA 9 CO 0.28 -0.60 0.81 -0.11 0.00 0.00 0.00 175.76 176.14 2k3y n LEU 10 N 3.62 0.00 -1.55 0.00 0.00 -1.26 -1.05 117.00 116.76 2k3y n LEU 10 Ca 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 56.01 56.32 2k3y n LEU 10 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 43.42 43.60 2k3y n LEU 10 CO 0.58 -0.22 0.32 0.61 0.00 0.00 0.00 177.39 178.68 2k3y n GLY 11 N -1.11 0.99 0.00 -3.96 0.00 -1.26 -4.42 105.19 95.43 2k3y n GLY 11 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.23 -0.37 3.69 -0.02 0.00 -0.21 -5.01 105.19 103.04 2k3y n GLY 12 Ca -0.17 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 2k3y n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3y s ARG 13 N 0.00 2.50 0.19 1.61 0.52 -1.26 -4.41 118.95 118.09 2k3y s ARG 13 Ca 0.00 -1.12 0.06 0.00 -0.52 0.00 0.00 55.73 54.15 2k3y s ARG 13 Cb 0.00 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 33.04 2k3y s ARG 13 CO 0.00 0.44 -0.11 0.14 0.02 0.00 0.00 175.30 175.79 2k3y s VAL 14 N -1.86 1.46 -0.02 3.52 -7.23 -0.64 -0.53 120.40 115.11 2k3y s VAL 14 Ca 0.29 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 2k3y s VAL 14 Cb -0.09 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.86 2k3y s VAL 14 CO 0.20 -0.61 0.02 -0.76 -0.31 0.00 0.00 175.10 173.63 2k3y s LEU 15 N -3.27 1.22 -0.03 1.32 1.43 0.88 -0.60 118.68 119.63 2k3y s LEU 15 Ca 0.21 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2k3y s LEU 15 Cb 0.01 -0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 2k3y s LEU 15 CO 0.05 -0.10 -0.17 0.00 0.23 0.00 0.00 176.35 176.35 2k3y s ALA 16 N 0.91 1.50 -0.23 4.21 0.00 -0.55 -0.78 121.76 126.83 2k3y s ALA 16 Ca -0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2k3y s ALA 16 Cb -0.11 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2k3y s ALA 16 CO -0.02 0.30 -0.09 0.12 0.00 0.00 0.00 175.76 176.06 2k3y s PHE 17 N -0.10 2.98 -0.12 0.00 5.36 -0.80 -0.87 117.98 124.42 2k3y s PHE 17 Ca -0.00 -1.48 0.21 0.00 -0.96 0.00 0.00 56.93 54.70 2k3y s PHE 17 Cb -0.10 -2.03 -0.20 0.00 -0.34 0.00 0.00 43.02 40.36 2k3y s PHE 17 CO 0.01 -0.72 0.68 0.72 -1.46 0.00 0.00 175.22 174.45 2k3y n HIS 18 N 4.67 0.44 0.00 10.12 8.25 -0.04 -4.88 115.22 133.79 2k3y n HIS 18 Ca -0.18 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2k3y n HIS 18 Cb 0.48 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 1.28 1.15 0.19 -1.41 0.00 -1.26 -4.88 105.19 100.27 2k3y n GLY 19 Ca -0.05 -0.17 0.02 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 0.06 -3.43 1.61 0.13 -2.02 -3.47 132.00 124.88 2k3y h PRO 20 Ca 0.00 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 2k3y h PRO 20 Cb 0.00 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2k3y h PRO 20 CO 0.00 0.42 0.10 -1.17 -0.23 0.00 0.00 178.00 177.12 2k3y s LEU 21 N -8.23 0.39 0.08 1.56 0.20 -1.26 -4.86 118.68 106.56 2k3y s LEU 21 Ca -0.03 -1.27 0.03 0.00 0.69 0.00 0.00 54.13 53.55 2k3y s LEU 21 Cb 0.14 2.32 -0.03 0.00 -0.43 0.00 0.00 46.19 48.19 2k3y s LEU 21 CO 0.74 -1.54 -0.09 -0.32 -0.29 0.00 0.00 176.35 174.84 2k3y s MET 22 N -2.62 0.76 0.04 1.98 -2.45 -1.26 -0.86 119.30 114.90 2k3y s MET 22 Ca 0.21 -1.06 0.01 0.00 -1.25 0.00 0.00 55.69 53.60 2k3y s MET 22 Cb -0.03 -0.45 -0.03 0.00 1.25 0.00 0.00 34.83 35.57 2k3y s MET 22 CO 0.15 0.07 -0.06 0.71 1.05 0.00 0.00 175.02 176.94 2k3y s TYR 23 N -2.24 0.54 0.47 4.11 2.02 -0.05 -4.87 117.35 117.34 2k3y s TYR 23 Ca 0.02 -0.61 -0.21 0.00 -0.37 0.00 0.00 57.07 55.90 2k3y s TYR 23 Cb -0.04 -0.34 -0.08 0.00 -0.40 0.00 0.00 41.96 41.09 2k3y s TYR 23 CO -0.00 -0.15 1.05 -1.21 -1.57 0.00 0.00 175.55 173.66 2k3y s GLU 24 N -2.01 3.86 0.07 -0.62 2.02 -1.26 -1.49 118.70 119.28 2k3y s GLU 24 Ca -0.08 1.42 -0.04 0.00 0.02 0.00 0.00 54.97 56.29 2k3y s GLU 24 Cb -0.07 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 2k3y s GLU 24 CO -0.02 -0.39 0.05 0.00 0.02 0.00 0.00 175.26 174.93 2k3y s ALA 25 N -1.89 0.29 -0.29 5.21 0.00 0.24 -0.95 121.76 124.37 2k3y s ALA 25 Ca 0.65 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2k3y s ALA 25 Cb -0.18 0.39 0.15 0.00 0.00 0.00 0.00 23.12 23.47 2k3y s ALA 25 CO 0.22 -0.43 0.34 0.21 0.00 0.00 0.00 175.76 176.10 2k3y s LYS 26 N -3.91 0.36 0.72 0.00 2.36 -0.52 -1.61 119.74 117.13 2k3y s LYS 26 Ca 0.08 -0.06 -0.16 0.00 -2.55 0.00 0.00 55.97 53.28 2k3y s LYS 26 Cb 0.07 -0.53 0.02 0.00 -1.05 0.00 0.00 37.83 36.34 2k3y s LYS 26 CO -0.09 -1.04 1.16 -0.89 1.55 0.00 0.00 175.35 176.04 2k3y n ILE 27 N 5.30 3.43 0.00 5.43 5.41 -1.26 -1.41 119.36 136.26 2k3y n ILE 27 Ca -0.01 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2k3y n ILE 27 Cb 0.47 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 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 -2.20 0.00 -4.18 1.39 -0.00 -0.76 -4.65 117.00 106.60 2k3y n LEU 28 Ca 0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.90 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 0.48 0.00 -0.51 -0.75 -0.00 0.00 0.00 177.39 176.61 2k3y s LYS 29 N -1.00 1.47 0.15 1.47 2.20 -1.21 -2.56 119.74 120.26 2k3y s LYS 29 Ca 0.00 -0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 2k3y s LYS 29 Cb 0.00 -1.43 -0.04 0.00 -1.51 0.00 0.00 37.83 34.85 2k3y s LYS 29 CO 0.00 0.39 0.08 0.96 -0.36 0.00 0.00 175.35 176.42 2k3y s ILE 30 N -0.43 0.07 -0.01 5.43 -4.36 0.28 -0.40 121.20 121.79 2k3y s ILE 30 Ca 0.07 -1.93 -0.16 0.00 -0.26 0.00 0.00 60.65 58.37 2k3y s ILE 30 Cb -0.07 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.50 2k3y s ILE 30 CO -0.01 -0.33 0.34 0.86 0.24 0.00 0.00 174.94 176.04 2k3y s TRP 31 N -4.08 -0.20 -0.08 1.37 -0.11 0.02 -1.59 118.94 114.27 2k3y s TRP 31 Ca 0.28 0.28 -0.10 0.00 1.22 0.00 0.00 56.10 57.78 2k3y s TRP 31 Cb 0.07 0.12 0.02 0.00 -1.50 0.00 0.00 33.47 32.19 2k3y s TRP 31 CO 0.05 -0.43 0.26 0.34 -4.62 0.00 0.00 176.95 172.55 2k3y s ASP 32 N -1.45 -0.24 0.00 5.86 -1.08 -1.26 -1.64 116.67 116.85 2k3y s ASP 32 Ca -0.12 0.42 0.14 0.00 -0.52 0.00 0.00 52.55 52.48 2k3y s ASP 32 Cb -0.04 0.49 0.64 0.00 -1.46 0.00 0.00 42.92 42.55 2k3y s ASP 32 CO 0.03 -0.16 1.44 -0.81 0.52 0.00 0.00 175.17 176.19 2k3y n PRO 33 N 2.60 0.06 0.00 4.34 -0.04 -1.25 -2.09 135.00 138.62 2k3y n PRO 33 Ca -0.15 0.23 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 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 0.50 0.00 3.54 0.02 -1.94 -3.20 113.55 112.46 2k3y h SER 34 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2k3y h SER 34 Cb 0.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2k3y h SER 34 CO 0.00 0.66 -0.98 -1.54 -1.14 0.00 0.00 176.83 173.83 2k3y n SER 35 N -4.20 3.86 -3.77 3.07 3.41 -1.25 -5.02 113.62 109.71 2k3y n SER 35 Ca 0.01 -0.07 -0.24 0.00 -0.26 0.00 0.00 58.87 58.30 2k3y n SER 35 Cb 0.33 1.10 0.02 0.00 -0.26 0.00 0.00 64.21 65.39 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 -1.52 -3.56 -3.91 4.33 5.02 -0.89 -5.01 118.16 112.62 2k3y n LYS 36 Ca -0.00 0.52 -0.09 0.00 -2.02 0.00 0.00 58.31 56.72 2k3y n LYS 36 Cb 0.06 -4.77 -0.09 0.00 -0.02 0.00 0.00 35.03 30.22 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 -6.14 0.68 0.40 1.97 -1.94 -1.26 -4.70 119.30 108.32 2k3y s MET 37 Ca 0.10 -0.85 0.08 0.00 -1.71 0.00 0.00 55.69 53.31 2k3y s MET 37 Cb -0.03 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 37.05 2k3y s MET 37 CO 0.85 -0.19 0.34 1.52 -0.01 0.00 0.00 175.02 177.53 2k3y s TYR 38 N -3.14 2.73 0.04 -0.03 -0.85 -1.23 -4.02 117.35 110.86 2k3y s TYR 38 Ca -0.01 -0.46 -0.03 0.00 -0.52 0.00 0.00 57.07 56.06 2k3y s TYR 38 Cb 0.02 -2.07 -0.02 0.00 0.38 0.00 0.00 41.96 40.26 2k3y s TYR 38 CO -0.07 -0.03 0.02 0.95 -1.52 0.00 0.00 175.55 174.90 2k3y s THR 39 N -2.45 0.15 0.16 -3.49 -4.23 -0.62 -4.01 115.64 101.15 2k3y s THR 39 Ca 0.46 -1.25 -0.12 0.00 -1.18 0.00 0.00 61.69 59.60 2k3y s THR 39 Cb -0.03 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.92 2k3y s THR 39 CO 0.27 -0.69 0.34 -0.55 -0.54 0.00 0.00 174.62 173.45 2k3y s SER 40 N -2.17 -0.04 0.08 3.99 0.15 -1.26 -0.55 113.70 113.89 2k3y s SER 40 Ca -0.05 -0.71 -0.08 0.00 0.70 0.00 0.00 55.95 55.81 2k3y s SER 40 Cb -0.01 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2k3y s SER 40 CO -0.05 -0.92 0.18 0.27 1.20 0.00 0.00 173.24 173.92 2k3y s ILE 41 N -3.92 0.15 -0.90 6.45 -4.36 -1.06 -1.24 121.20 116.32 2k3y s ILE 41 Ca 0.13 -1.19 -0.25 0.00 -0.26 0.00 0.00 60.65 59.08 2k3y s ILE 41 Cb 0.02 -1.32 -0.07 0.00 1.25 0.00 0.00 42.46 42.35 2k3y s ILE 41 CO -0.03 -0.66 2.03 -2.16 0.24 0.00 0.00 174.94 174.36 2k3y s PRO 42 N -3.78 2.37 0.00 0.37 0.04 -1.25 -4.53 135.00 128.22 2k3y s PRO 42 Ca 0.04 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2k3y s PRO 42 Cb 0.05 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.56 2k3y s PRO 42 CO -0.11 -3.62 0.01 -1.71 0.04 0.00 0.00 177.00 171.62 2k3y n ASN 43 N 14.88 0.02 -1.72 6.66 5.15 -1.26 -5.01 115.26 133.97 2k3y n ASN 43 Ca 0.42 -0.27 -0.02 0.00 -0.60 0.00 0.00 54.58 54.10 2k3y n ASN 43 Cb 0.46 0.45 0.01 0.00 -0.53 0.00 0.00 39.78 40.17 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k3y n ASP 44 N -0.45 -0.70 -3.51 1.20 2.03 -1.26 -5.03 116.55 108.82 2k3y n ASP 44 Ca 0.00 -1.43 -0.29 0.00 0.52 0.00 0.00 54.79 53.59 2k3y n ASP 44 Cb 0.01 1.16 -0.13 0.00 -0.72 0.00 0.00 41.12 41.44 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 -2.02 0.53 1.03 -0.67 -2.85 -1.26 -1.41 119.74 113.09 2k3y s LYS 45 Ca 0.07 -1.20 -0.18 0.00 -1.00 0.00 0.00 55.97 53.66 2k3y s LYS 45 Cb -0.01 -1.37 -0.00 0.00 -2.06 0.00 0.00 37.83 34.38 2k3y s LYS 45 CO 0.03 -1.16 -0.22 -2.30 0.10 0.00 0.00 175.35 171.81 2k3y n PRO 46 N 4.29 -0.66 0.08 1.78 -0.02 -1.26 -4.77 135.00 134.45 2k3y n PRO 46 Ca 0.07 -0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 2k3y n PRO 46 Cb 0.38 -1.54 0.26 0.00 -0.02 0.00 0.00 33.50 32.58 2k3y n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k3y n GLY 47 N 2.30 -0.60 0.48 -1.23 0.00 -1.26 -1.33 105.19 103.55 2k3y n GLY 47 Ca 0.02 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.35 2.80 2.98 -0.02 0.00 -1.26 -5.05 105.19 103.28 2k3y n GLY 48 Ca -0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.12 0.67 0.13 1.61 0.01 -0.44 -5.05 113.70 108.51 2k3y s SER 49 Ca 0.21 -0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.18 2k3y s SER 49 Cb 0.20 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.33 2k3y s SER 49 CO -0.02 0.02 1.46 0.28 0.41 0.00 0.00 173.24 175.39 2k3y h SER 50 N 5.75 0.94 -4.58 2.44 0.02 -1.92 -3.38 113.55 112.82 2k3y h SER 50 Ca -0.29 -0.47 0.10 0.00 -0.84 0.00 0.00 61.79 60.29 2k3y h SER 50 Cb 1.19 -0.26 -0.16 0.00 0.14 0.00 0.00 62.40 63.31 2k3y h SER 50 CO 0.49 1.21 0.49 0.00 -1.14 0.00 0.00 176.83 177.88 2k3y s GLN 51 N -4.39 0.79 0.31 3.45 -2.07 -1.26 -4.76 119.66 111.74 2k3y s GLN 51 Ca -0.11 -0.23 -0.29 0.00 -1.82 0.00 0.00 55.36 52.91 2k3y s GLN 51 Cb 0.10 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.29 2k3y s GLN 51 CO 0.87 -0.33 1.21 0.00 -1.32 0.00 0.00 175.29 175.71 2k3y s ALA 52 N -2.81 3.45 -0.28 2.60 0.00 -0.50 -4.93 121.76 119.29 2k3y s ALA 52 Ca 0.04 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.11 2k3y s ALA 52 Cb -0.01 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.78 2k3y s ALA 52 CO -0.07 -0.42 -0.02 0.99 0.00 0.00 0.00 175.76 176.24 2k3y s THR 53 N -1.16 1.92 0.00 0.00 2.01 -1.26 -4.18 115.64 112.97 2k3y s THR 53 Ca 0.47 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.73 2k3y s THR 53 Cb -0.36 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 69.92 2k3y s THR 53 CO 0.47 -0.29 0.00 0.29 -0.69 0.00 0.00 174.62 174.40 2k3y n LYS 54 N 4.47 -0.02 -1.88 4.92 5.02 -1.26 -4.24 118.16 125.17 2k3y n LYS 54 Ca -0.06 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 2k3y n LYS 54 Cb 0.43 -0.03 -0.03 0.00 -0.02 0.00 0.00 35.03 35.38 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 -0.02 3.05 0.05 1.97 2.12 -1.26 -3.84 118.70 120.77 2k3y s GLU 55 Ca 0.00 1.43 -0.31 0.00 0.36 0.00 0.00 54.97 56.45 2k3y s GLU 55 Cb 0.00 -4.30 -0.06 0.00 0.26 0.00 0.00 34.13 30.03 2k3y s GLU 55 CO 0.00 -2.19 1.23 0.42 -0.54 0.00 0.00 175.26 174.18 2k3y s ILE 56 N 8.08 3.98 0.32 -3.70 1.01 -0.37 -4.97 121.20 125.54 2k3y s ILE 56 Ca 0.84 1.41 -0.29 0.00 0.00 0.00 0.00 60.65 62.61 2k3y s ILE 56 Cb -0.23 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 2k3y s ILE 56 CO 0.31 0.09 1.31 -0.54 0.00 0.00 0.00 174.94 176.11 2k3y s LYS 57 N 1.26 4.36 0.31 2.79 -0.14 -1.26 -4.06 119.74 122.99 2k3y s LYS 57 Ca 0.59 2.21 -0.28 0.00 -1.36 0.00 0.00 55.97 57.13 2k3y s LYS 57 Cb -0.30 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.68 2k3y s LYS 57 CO 0.28 -0.19 1.04 -1.25 -0.76 0.00 0.00 175.35 174.48 2k3y s PRO 58 N -1.67 4.54 0.22 -1.68 0.04 -1.26 -4.94 135.00 130.24 2k3y s PRO 58 Ca 0.49 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.20 2k3y s PRO 58 Cb -0.40 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2k3y s PRO 58 CO 0.52 0.17 -0.03 -0.65 0.04 0.00 0.00 177.00 177.04 2k3y s GLN 59 N -1.76 1.31 0.43 4.56 -0.21 -1.26 -4.96 119.66 117.78 2k3y s GLN 59 Ca 0.48 -1.64 0.29 0.00 0.02 0.00 0.00 55.36 54.51 2k3y s GLN 59 Cb -0.27 -0.70 1.53 0.00 1.00 0.00 0.00 33.01 34.57 2k3y s GLN 59 CO 0.34 -0.04 1.89 -0.22 -2.12 0.00 0.00 175.29 175.15 2k3y h LYS 60 N 2.51 0.00 -1.89 2.91 1.63 -1.95 -3.25 116.57 116.52 2k3y h LYS 60 Ca -0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 2k3y h LYS 60 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2k3y h LYS 60 CO 0.65 0.00 -0.45 -0.11 -3.45 0.00 0.00 179.45 176.08 2k3y n LEU 61 N -2.54 -2.57 0.00 5.20 7.94 -1.26 -4.71 117.00 119.05 2k3y n LEU 61 Ca -0.01 1.54 0.00 0.00 -1.11 0.00 0.00 56.01 56.42 2k3y n LEU 61 Cb 0.08 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.05 2k3y n LEU 61 CO 0.15 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 2k3y n GLY 62 N -0.59 -0.30 0.13 -3.96 0.00 -1.19 -5.05 105.19 94.22 2k3y n GLY 62 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.30 0.00 1.61 5.08 -2.02 -3.44 114.58 116.10 2k3y h GLU 63 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2k3y h GLU 63 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k3y h GLU 63 CO 0.00 1.09 0.00 -3.47 -1.00 0.00 0.00 179.01 175.63 2k3y n ASP 64 N -3.65 0.00 -4.75 1.42 2.03 -1.26 -5.08 116.55 105.25 2k3y n ASP 64 Ca -0.06 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.84 2k3y n ASP 64 Cb 0.88 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.26 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3y s GLU 65 N -1.01 4.33 0.04 -0.67 1.03 -1.26 -5.04 118.70 116.13 2k3y s GLU 65 Ca 0.00 2.21 -0.01 0.00 0.03 0.00 0.00 54.97 57.20 2k3y s GLU 65 Cb 0.00 -3.11 -0.03 0.00 -0.80 0.00 0.00 34.13 30.19 2k3y s GLU 65 CO 0.00 -0.28 -0.02 -1.12 -1.33 0.00 0.00 175.26 172.52 2k3y s SER 66 N -0.02 0.40 -0.14 0.83 0.01 -1.26 -3.20 113.70 110.32 2k3y s SER 66 Ca 0.54 -0.84 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 2k3y s SER 66 Cb -0.40 0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.06 2k3y s SER 66 CO 0.46 -0.53 0.35 -0.51 0.41 0.00 0.00 173.24 173.43 2k3y s ILE 67 N -3.27 -0.01 0.56 1.44 2.07 -1.26 -4.83 121.20 115.90 2k3y s ILE 67 Ca 0.01 0.04 -0.18 0.00 -1.41 0.00 0.00 60.65 59.11 2k3y s ILE 67 Cb 0.03 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 2k3y s ILE 67 CO -0.08 0.02 1.08 -2.16 -1.91 0.00 0.00 174.94 171.89 2k3y s PRO 68 N 0.59 3.39 0.48 3.50 0.04 -1.26 -4.88 135.00 136.86 2k3y s PRO 68 Ca -0.03 1.40 0.26 0.00 0.04 0.00 0.00 61.00 62.67 2k3y s PRO 68 Cb -0.05 -2.03 1.43 0.00 0.04 0.00 0.00 34.50 33.89 2k3y s PRO 68 CO -0.04 -0.78 1.78 0.93 0.04 0.00 0.00 177.00 178.94 2k3y h GLU 69 N 0.93 0.00 0.00 4.56 5.08 -2.01 -0.68 114.58 122.46 2k3y h GLU 69 Ca -0.49 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 2k3y h GLU 69 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2k3y h GLU 69 CO 0.57 0.00 -0.18 0.93 -1.00 0.00 0.00 179.01 179.33 2k3y h GLU 70 N 0.00 0.00 0.00 2.33 4.39 -2.02 -3.32 114.58 115.95 2k3y h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k3y h GLU 70 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k3y h GLU 70 CO 0.00 0.18 -0.21 0.44 -1.16 0.00 0.00 179.01 178.26 2k3y n ILE 71 N -3.60 0.00 -0.25 3.13 -5.35 -0.31 -4.56 119.36 108.43 2k3y n ILE 71 Ca -0.01 -0.29 0.04 0.00 -0.27 0.00 0.00 62.75 62.22 2k3y n ILE 71 Cb 0.32 0.84 0.16 0.00 -1.74 0.00 0.00 39.64 39.22 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 0.73 -0.04 7.28 1.08 -1.52 -2.80 117.51 122.23 2k3y h ILE 72 Ca 0.00 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2k3y h ILE 72 Cb 0.00 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 33.94 2k3y h ILE 72 CO 0.00 0.09 0.00 -0.46 -0.69 0.00 0.00 178.15 177.09 2k3y n ASN 73 N -4.96 0.23 -1.56 1.72 0.23 -1.25 -3.92 115.26 105.75 2k3y n ASN 73 Ca 0.13 -1.95 -0.03 0.00 -0.53 0.00 0.00 54.58 52.20 2k3y n ASN 73 Cb 0.36 -0.03 0.01 0.00 -2.08 0.00 0.00 39.78 38.04 2k3y n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k3y n GLY 74 N 0.59 1.81 3.75 4.83 0.00 -1.06 -4.74 105.19 110.38 2k3y n GLY 74 Ca 0.03 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.05 4.13 0.05 1.61 -0.14 -1.26 -4.05 119.74 118.03 2k3y s LYS 75 Ca 0.05 2.56 0.01 0.00 -1.36 0.00 0.00 55.97 57.24 2k3y s LYS 75 Cb -0.01 -3.03 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 2k3y s LYS 75 CO 0.04 -0.63 -0.06 -1.12 -0.76 0.00 0.00 175.35 172.83 2k3y s SER 76 N 0.52 0.73 -0.11 2.83 0.01 -0.65 -3.84 113.70 113.19 2k3y s SER 76 Ca 0.64 -0.73 -0.03 0.00 1.31 0.00 0.00 55.95 57.14 2k3y s SER 76 Cb -0.48 0.09 0.05 0.00 0.21 0.00 0.00 66.02 65.89 2k3y s SER 76 CO 0.47 -0.35 0.07 -0.36 0.41 0.00 0.00 173.24 173.47 2k3y s PHE 77 N -2.37 0.26 -0.08 2.43 0.08 -0.87 -0.80 117.98 116.63 2k3y s PHE 77 Ca -0.03 -0.13 -0.29 0.00 0.12 0.00 0.00 56.93 56.60 2k3y s PHE 77 Cb -0.03 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2k3y s PHE 77 CO -0.03 -0.38 0.95 0.12 -0.10 0.00 0.00 175.22 175.77 2k3y s PHE 78 N 2.11 3.55 0.04 0.36 5.36 0.47 -1.57 117.98 128.30 2k3y s PHE 78 Ca 0.03 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 2k3y s PHE 78 Cb -0.14 -3.11 -0.03 0.00 -0.34 0.00 0.00 43.02 39.40 2k3y s PHE 78 CO -0.06 -0.13 -0.05 0.96 -1.46 0.00 0.00 175.22 174.48 2k3y s ILE 79 N 1.59 0.32 -0.28 3.12 -4.36 -0.37 -1.82 121.20 119.40 2k3y s ILE 79 Ca 0.47 -1.33 -0.11 0.00 -0.26 0.00 0.00 60.65 59.41 2k3y s ILE 79 Cb -0.19 -0.88 -0.05 0.00 1.25 0.00 0.00 42.46 42.60 2k3y s ILE 79 CO 0.20 -0.66 0.21 -2.28 0.24 0.00 0.00 174.94 172.65 2k3y s HIS 80 N -2.40 3.22 -0.19 1.37 5.65 -0.50 -2.97 115.29 119.47 2k3y s HIS 80 Ca -0.05 0.11 -0.29 0.00 0.25 0.00 0.00 55.06 55.08 2k3y s HIS 80 Cb -0.03 -2.40 -0.02 0.00 -1.18 0.00 0.00 32.58 28.95 2k3y s HIS 80 CO -0.04 -0.18 1.40 0.71 -0.65 0.00 0.00 174.74 175.99 2k3y s TYR 81 N 1.78 2.52 0.33 3.88 2.02 -1.26 -1.44 117.35 125.17 2k3y s TYR 81 Ca 0.07 0.75 -0.14 0.00 -0.37 0.00 0.00 57.07 57.39 2k3y s TYR 81 Cb -0.16 -3.77 -0.09 0.00 -0.40 0.00 0.00 41.96 37.55 2k3y s TYR 81 CO 0.11 -2.28 0.73 -0.65 -1.57 0.00 0.00 175.55 171.88 2k3y s GLN 82 N 3.99 3.96 0.00 -0.62 -0.21 -0.12 -3.04 119.66 123.62 2k3y s GLN 82 Ca 0.61 0.62 0.00 0.00 0.02 0.00 0.00 55.36 56.61 2k3y s GLN 82 Cb -0.23 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.35 2k3y s GLN 82 CO 0.22 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 2k3y n GLY 83 N -0.48 0.40 3.40 3.09 0.00 -1.26 -4.19 105.19 106.14 2k3y n GLY 83 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.01 1.70 1.16 1.61 0.52 -1.17 -5.03 118.94 115.72 2k3y s TRP 84 Ca 0.00 -1.26 -0.16 0.00 0.02 0.00 0.00 56.10 54.70 2k3y s TRP 84 Cb 0.00 -1.01 0.27 0.00 -1.15 0.00 0.00 33.47 31.57 2k3y s TRP 84 CO 0.00 -0.35 1.07 0.15 0.02 0.00 0.00 176.95 177.84 2k3y s LYS 85 N -3.83 -0.87 0.00 4.98 1.02 -1.26 -4.89 119.74 114.89 2k3y s LYS 85 Ca 0.33 0.26 0.28 0.00 0.02 0.00 0.00 55.97 56.86 2k3y s LYS 85 Cb 0.05 -1.61 1.09 0.00 -0.52 0.00 0.00 37.83 36.84 2k3y s LYS 85 CO 0.16 -3.55 1.78 0.43 -0.92 0.00 0.00 175.35 173.26 2k3y n SER 86 N -4.70 0.44 0.07 2.83 7.64 -1.26 -3.66 113.62 114.97 2k3y n SER 86 Ca 0.09 -0.38 0.13 0.00 1.01 0.00 0.00 58.87 59.71 2k3y n SER 86 Cb 0.58 -0.08 0.60 0.00 -1.01 0.00 0.00 64.21 64.31 2k3y n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3y h SER 87 N 0.44 0.13 -0.28 6.43 0.02 -1.97 -2.55 113.55 115.78 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 0.41 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2k3y h SER 87 CO 0.00 0.09 0.00 0.79 -1.14 0.00 0.00 176.83 176.57 2k3y n TRP 88 N -4.46 1.02 -1.92 3.45 7.02 -1.24 -4.79 117.44 116.51 2k3y n TRP 88 Ca 0.05 -0.36 -0.38 0.00 -1.02 0.00 0.00 57.50 55.80 2k3y n TRP 88 Cb 0.33 -0.30 -0.03 0.00 -2.42 0.00 0.00 31.31 28.88 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 -0.37 5.06 0.21 -0.99 1.01 -0.96 -4.26 116.67 116.37 2k3y s ASP 89 Ca 0.26 0.49 -0.13 0.00 0.71 0.00 0.00 52.55 53.89 2k3y s ASP 89 Cb 0.20 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.61 2k3y s ASP 89 CO 0.08 -2.51 0.43 -0.70 0.21 0.00 0.00 175.17 172.67 2k3y s GLU 90 N 7.34 1.40 0.17 8.23 2.56 -1.16 -4.97 118.70 132.27 2k3y s GLU 90 Ca 0.74 -1.15 0.05 0.00 0.00 0.00 0.00 54.97 54.61 2k3y s GLU 90 Cb -0.14 0.45 -0.04 0.00 2.00 0.00 0.00 34.13 36.41 2k3y s GLU 90 CO 0.21 -0.57 0.18 -1.58 -0.56 0.00 0.00 175.26 172.95 2k3y s TRP 91 N -3.97 3.23 0.12 5.30 0.52 -1.26 -1.24 118.94 121.65 2k3y s TRP 91 Ca 0.18 0.01 0.04 0.00 0.02 0.00 0.00 56.10 56.36 2k3y s TRP 91 Cb 0.00 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 2k3y s TRP 91 CO 0.04 0.52 -0.11 0.14 0.02 0.00 0.00 176.95 177.56 2k3y s VAL 92 N -1.77 1.10 0.40 4.03 -7.23 -0.61 -4.95 120.40 111.37 2k3y s VAL 92 Ca 0.32 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.62 2k3y s VAL 92 Cb -0.10 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2k3y s VAL 92 CO 0.25 -0.64 0.63 -0.83 -0.31 0.00 0.00 175.10 174.20 2k3y s GLY 93 N -2.81 1.41 0.00 2.32 0.00 -1.26 -2.06 107.32 104.92 2k3y s GLY 93 Ca 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2k3y s GLY 93 CO 0.01 -0.72 0.57 2.98 0.00 0.00 0.00 173.10 175.94 2k3y n TYR 94 N -1.96 0.00 0.75 1.90 9.36 -1.25 -0.97 117.16 125.00 2k3y n TYR 94 Ca -0.03 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.31 2k3y n TYR 94 Cb 0.56 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.39 2k3y n TYR 94 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2k3y n ASP 95 N -0.51 0.62 0.00 2.98 2.03 -1.26 -4.58 116.55 115.83 2k3y n ASP 95 Ca 0.00 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.10 2k3y n ASP 95 Cb 0.00 0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2k3y n ASP 95 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2k3y n ARG 96 N -1.80 0.82 -3.74 -0.67 0.63 -0.14 -5.01 116.66 106.75 2k3y n ARG 96 Ca 0.04 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.69 2k3y n ARG 96 Cb 0.39 -0.85 -0.03 0.00 0.45 0.00 0.00 32.46 32.42 2k3y n ARG 96 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2k3y s ILE 97 N -1.70 5.23 0.07 5.15 2.07 -0.66 -1.90 121.20 129.45 2k3y s ILE 97 Ca 0.00 -0.41 -0.07 0.00 -1.41 0.00 0.00 60.65 58.76 2k3y s ILE 97 Cb 0.00 -3.73 -0.01 0.00 0.13 0.00 0.00 42.46 38.85 2k3y s ILE 97 CO 0.00 -0.15 0.15 -0.13 -1.91 0.00 0.00 174.94 172.90 2k3y s ARG 98 N -3.29 0.75 0.76 3.50 0.52 0.04 -4.53 118.95 116.71 2k3y s ARG 98 Ca 0.38 -0.90 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 2k3y s ARG 98 Cb -0.11 0.30 0.05 0.00 0.52 0.00 0.00 34.95 35.71 2k3y s ARG 98 CO 0.29 -0.22 1.08 0.00 0.02 0.00 0.00 175.30 176.47 2k3y s ALA 99 N -3.44 2.35 -0.20 2.13 0.00 -1.26 -0.09 121.76 121.26 2k3y s ALA 99 Ca 0.02 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2k3y s ALA 99 Cb 0.03 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2k3y s ALA 99 CO -0.09 -1.60 1.61 -0.47 0.00 0.00 0.00 175.76 175.22 2k3y s TYR 100 N -3.01 2.11 0.18 0.00 6.14 0.31 -4.63 117.35 118.45 2k3y s TYR 100 Ca 0.60 0.52 -0.22 0.00 0.64 0.00 0.00 57.07 58.60 2k3y s TYR 100 Cb -0.15 -3.95 0.06 0.00 0.42 0.00 0.00 41.96 38.33 2k3y s TYR 100 CO 0.55 -3.02 0.62 0.54 0.64 0.00 0.00 175.55 174.89 2k3y s ASN 101 N 4.05 -0.50 0.40 4.32 2.20 -1.26 -4.45 114.94 119.69 2k3y s ASN 101 Ca 0.71 -0.13 0.16 0.00 -0.94 0.00 0.00 52.86 52.66 2k3y s ASN 101 Cb -0.26 0.62 1.02 0.00 -2.00 0.00 0.00 41.25 40.64 2k3y s ASN 101 CO 0.29 -1.05 1.84 -0.08 -2.94 0.00 0.00 177.10 175.17 2k3y h GLU 102 N 2.01 0.46 -0.44 3.55 4.81 -1.96 0.11 114.58 123.10 2k3y h GLU 102 Ca -0.31 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2k3y h GLU 102 Cb 1.30 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2k3y h GLU 102 CO 0.35 0.30 0.16 1.49 -0.73 0.00 0.00 179.01 180.58 2k3y h GLU 103 N 0.47 0.66 0.00 1.92 4.81 -1.98 0.09 114.58 120.56 2k3y h GLU 103 Ca 0.48 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.52 2k3y h GLU 103 Cb 1.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2k3y h GLU 103 CO -0.21 0.62 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.47 2k3y h ASN 104 N 0.56 0.00 -0.12 1.04 2.35 -1.35 -1.59 115.58 116.47 2k3y h ASN 104 Ca 0.14 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 2k3y h ASN 104 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2k3y h ASN 104 CO -0.01 0.32 -0.32 0.40 -1.65 0.00 0.00 177.43 176.17 2k3y h ILE 105 N 0.00 1.28 -0.64 2.81 1.08 -0.77 0.19 117.51 121.47 2k3y h ILE 105 Ca -0.00 -1.44 -0.06 0.00 -0.39 0.00 0.00 64.86 62.96 2k3y h ILE 105 Cb 1.06 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 2k3y h ILE 105 CO 0.04 0.46 0.15 0.00 -0.69 0.00 0.00 178.15 178.11 2k3y h ALA 106 N 1.13 0.84 -0.28 1.87 0.00 -0.30 0.21 119.26 122.73 2k3y h ALA 106 Ca 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2k3y h ALA 106 Cb 0.81 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k3y h ALA 106 CO 0.07 0.56 0.09 1.98 0.00 0.00 0.00 179.25 181.95 2k3y h MET 107 N 0.94 0.21 -0.04 0.00 1.85 -1.13 -1.59 114.93 115.17 2k3y h MET 107 Ca 0.20 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.27 2k3y h MET 107 Cb 0.37 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.35 2k3y h MET 107 CO 0.00 0.14 0.02 -0.22 -0.40 0.00 0.00 176.91 176.45 2k3y h LYS 108 N 0.22 0.06 -0.02 0.39 3.64 0.14 -1.29 116.57 119.71 2k3y h LYS 108 Ca 0.13 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 2k3y h LYS 108 Cb 0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2k3y h LYS 108 CO -0.13 0.19 -0.82 1.57 -2.27 0.00 0.00 179.45 177.99 2k3y h LYS 109 N -0.09 0.24 -0.00 1.90 2.10 -0.57 0.17 116.57 120.32 2k3y h LYS 109 Ca 0.01 -0.23 0.03 0.00 -2.00 0.00 0.00 60.65 58.46 2k3y h LYS 109 Cb 0.16 0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.50 2k3y h LYS 109 CO -0.00 0.93 -0.23 -0.09 -2.00 0.00 0.00 179.45 178.06 2k3y h ARG 110 N 0.14 -0.34 -0.24 0.07 2.43 -1.19 -2.49 114.38 112.76 2k3y h ARG 110 Ca -0.04 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2k3y h ARG 110 Cb 1.42 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2k3y h ARG 110 CO 0.13 -0.23 -0.42 -0.07 -1.51 0.00 0.00 179.97 177.87 2k3y h LEU 111 N -0.36 0.78 -1.06 3.80 3.38 -0.81 0.99 115.31 122.04 2k3y h LEU 111 Ca 0.06 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3y h LEU 111 Cb 0.44 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k3y h LEU 111 CO -0.21 1.16 0.28 0.00 0.09 0.00 0.00 178.44 179.77 2k3y h ALA 112 N 0.64 1.20 0.00 1.53 0.00 -0.67 0.01 119.26 121.96 2k3y h ALA 112 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 2k3y h ALA 112 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2k3y h ALA 112 CO 0.09 -0.20 -1.93 -1.71 0.00 0.00 0.00 179.25 175.50 2k3y n ASN 113 N -2.18 1.25 0.19 0.00 5.15 -0.67 -3.87 115.26 115.13 2k3y n ASN 113 Ca -0.01 0.22 0.07 0.00 -0.60 0.00 0.00 54.58 54.26 2k3y n ASN 113 Cb 0.31 -0.52 0.27 0.00 -0.53 0.00 0.00 39.78 39.31 2k3y n ASN 113 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2k3y h GLU 114 N -0.63 0.00 0.00 1.20 5.08 -0.68 -3.37 114.58 116.18 2k3y h GLU 114 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2k3y h GLU 114 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2k3y h GLU 114 CO -0.26 0.30 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 2k3y n ALA 115 N -2.21 0.54 0.15 3.43 0.00 -0.07 -4.85 120.51 117.51 2k3y n ALA 115 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k3y n ALA 115 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.02 2.20 0.26 0.00 0.00 -0.84 -4.61 105.19 102.18 2k3y n GLY 116 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2k3y n GLY 116 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k3y h SER 117 N 0.66 0.00 -3.73 1.61 0.02 -1.87 -3.43 113.55 106.81 2k3y h SER 117 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2k3y h SER 117 Cb 0.96 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.24 2k3y h SER 117 CO 0.00 0.10 -0.40 -0.89 -1.14 0.00 0.00 176.83 174.50 2k3y s THR 118 N -4.52 -0.01 -2.51 -2.27 2.01 -1.26 -5.15 115.64 101.92 2k3y s THR 118 Ca -0.04 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2k3y s THR 118 Cb 0.15 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.26 2k3y s THR 118 CO 0.62 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 2k3y n GLY 119 N 3.20 -1.27 0.05 4.40 0.00 -1.26 -3.33 105.19 106.98 2k3y n GLY 119 Ca -0.15 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 44.87 2k3y n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 120 N 1.42 1.07 -3.64 1.61 7.64 -1.22 -4.96 113.62 115.54 2k3y n SER 120 Ca 0.00 -1.71 -0.15 0.00 1.01 0.00 0.00 58.87 58.01 2k3y n SER 120 Cb 0.00 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.07 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3y s ALA 121 N -0.70 -1.25 -1.94 -0.43 0.00 -1.25 -5.04 121.76 111.15 2k3y s ALA 121 Ca 0.03 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2k3y s ALA 121 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2k3y s ALA 121 CO 0.00 -0.32 0.63 -0.35 0.00 0.00 0.00 175.76 175.72 2k3y n PRO 122 N 1.07 0.65 0.00 0.00 -0.04 -1.26 -2.15 135.00 133.27 2k3y n PRO 122 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k3y n PRO 122 Cb 0.57 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3y n ALA 123 N -0.46 0.78 -3.41 0.55 0.00 -1.26 -4.92 120.51 111.79 2k3y n ALA 123 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 2k3y n ALA 123 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 2k3y n ALA 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k3y s THR 124 N -0.06 0.05 -1.18 0.00 2.01 -0.91 -4.91 115.64 110.64 2k3y s THR 124 Ca 0.00 -1.75 -0.05 0.00 0.31 0.00 0.00 61.69 60.20 2k3y s THR 124 Cb 0.00 -1.02 0.10 0.00 0.01 0.00 0.00 72.50 71.58 2k3y s THR 124 CO 0.00 -0.94 2.49 0.61 -0.69 0.00 0.00 174.62 176.09 2k3y n GLY 125 N 3.80 5.02 3.57 4.40 0.00 -1.26 -3.37 105.19 117.34 2k3y n GLY 125 Ca 0.16 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 2k3y n GLY 125 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3y s GLY 126 N 0.46 -0.65 -1.11 -0.02 0.00 -1.21 -4.74 107.32 100.05 2k3y s GLY 126 Ca 0.56 -1.15 -0.14 0.00 0.00 0.00 0.00 44.72 43.99 2k3y s GLY 126 CO -0.11 4.07 1.26 -1.34 0.00 0.00 0.00 173.10 176.97 2k3y s VAL 127 N 14.19 5.25 0.00 1.40 -7.23 -1.26 -4.80 120.40 127.95 2k3y s VAL 127 Ca 0.85 -2.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2k3y s VAL 127 Cb -0.09 -4.79 0.00 0.00 0.56 0.00 0.00 36.38 32.06 2k3y s VAL 127 CO 0.09 -1.46 0.00 0.29 -0.31 0.00 0.00 175.10 173.71 2k3y n LYS 129 N 4.99 0.00 0.15 4.82 4.76 -1.26 -5.12 118.16 126.50 2k3y n LYS 129 Ca 0.30 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.77 2k3y n LYS 129 Cb 0.43 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.71 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 -3.35 1.97 0.13 -2.04 -3.46 132.00 125.25 2k3y h PRO 130 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2k3y h PRO 130 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2k3y h PRO 130 CO 0.00 0.48 0.06 -3.38 -0.23 0.00 0.00 178.00 174.93 2k3y s HIS 131 N -3.08 0.16 -0.74 1.56 -3.43 -1.26 -4.94 115.29 103.55 2k3y s HIS 131 Ca 0.03 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 2k3y s HIS 131 Cb 0.08 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 2k3y s HIS 131 CO 0.73 -1.17 0.00 0.54 -2.00 0.00 0.00 174.74 172.85 2k3y n ARG 132 N -0.44 -1.54 0.25 -0.38 5.12 -1.26 -4.85 116.66 113.55 2k3y n ARG 132 Ca -0.03 0.70 0.17 0.00 -1.93 0.00 0.00 57.85 56.76 2k3y n ARG 132 Cb 0.60 -4.98 0.75 0.00 -1.16 0.00 0.00 32.46 27.68 2k3y n ARG 132 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 2k3y h TYR 133 N 0.00 0.00 0.00 -1.55 -0.00 -1.92 -3.52 116.97 109.99 2k3y h TYR 133 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.59 2k3y h TYR 133 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.71 2k3y h TYR 133 CO 0.53 0.00 0.00 -2.13 -0.00 0.00 0.00 178.16 176.56