#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 0.58 0.21 1.12 -7.23 -1.26 -5.07 120.40 108.75 2k3y s VAL 2 Ca 0.00 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2k3y s VAL 2 Cb 0.00 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2k3y s VAL 2 CO 0.00 -0.90 0.00 -0.67 -0.31 0.00 0.00 175.10 173.22 2k3y n ASP 3 N 0.00 -1.53 -0.20 4.85 2.03 -1.26 -4.95 116.55 115.49 2k3y n ASP 3 Ca -0.13 0.40 -0.10 0.00 0.52 0.00 0.00 54.79 55.48 2k3y n ASP 3 Cb 0.61 1.62 0.02 0.00 -0.72 0.00 0.00 41.12 42.65 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 1.04 -1.74 -2.67 5.85 -1.97 -2.94 115.31 112.88 2k3y h LEU 4 Ca 0.00 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 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 1.11 -0.07 -0.08 -0.34 0.00 0.00 178.44 179.07 2k3y h GLU 5 N 0.95 0.08 0.00 1.25 4.81 -1.93 -2.13 114.58 117.60 2k3y h GLU 5 Ca 0.16 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2k3y h GLU 5 Cb 0.60 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2k3y h GLU 5 CO 0.04 0.15 -0.17 0.37 -0.73 0.00 0.00 179.01 178.66 2k3y h GLN 6 N 0.08 0.00 -7.17 1.92 4.15 -1.74 -3.41 115.11 108.94 2k3y h GLN 6 Ca 0.02 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.96 2k3y h GLN 6 Cb 0.17 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.88 2k3y h GLN 6 CO 0.01 0.17 0.35 -1.21 -1.93 0.00 0.00 178.83 176.23 2k3y s GLU 7 N -3.62 3.90 0.10 1.69 2.02 -0.80 -4.46 118.70 117.52 2k3y s GLU 7 Ca 0.01 0.89 -0.33 0.00 0.02 0.00 0.00 54.97 55.56 2k3y s GLU 7 Cb 0.10 -2.16 -0.12 0.00 0.10 0.00 0.00 34.13 32.04 2k3y s GLU 7 CO 0.62 -0.27 1.72 1.97 0.02 0.00 0.00 175.26 179.33 2k3y n PHE 8 N -1.64 2.41 -5.17 1.61 -1.74 -1.26 -4.75 117.46 106.91 2k3y n PHE 8 Ca 0.06 0.09 -0.30 0.00 -0.56 0.00 0.00 57.45 56.73 2k3y n PHE 8 Cb 0.54 -2.63 -0.16 0.00 1.52 0.00 0.00 39.48 38.75 2k3y n PHE 8 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k3y s ALA 9 N 2.12 2.02 -1.55 1.98 0.00 -1.26 -5.02 121.76 120.05 2k3y s ALA 9 Ca 0.83 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2k3y s ALA 9 Cb -0.62 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2k3y s ALA 9 CO 0.41 0.40 0.65 -0.11 0.00 0.00 0.00 175.76 177.10 2k3y n LEU 10 N 2.94 0.00 -0.84 0.00 0.00 -1.26 -1.23 117.00 116.61 2k3y n LEU 10 Ca -0.17 0.17 -0.05 0.00 0.00 0.00 0.00 56.01 55.96 2k3y n LEU 10 Cb 0.52 -0.17 -0.05 0.00 0.00 0.00 0.00 43.42 43.72 2k3y n LEU 10 CO 0.25 -0.17 0.29 0.61 0.00 0.00 0.00 177.39 178.37 2k3y n GLY 11 N -1.15 0.49 2.49 -3.96 0.00 -1.26 -4.19 105.19 97.60 2k3y n GLY 11 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.06 3.88 -0.02 0.00 -0.36 -4.96 105.19 102.67 2k3y n GLY 12 Ca -0.20 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 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 -4.76 3.79 0.24 1.61 0.52 -1.26 -4.06 118.95 115.02 2k3y s ARG 13 Ca 0.48 0.42 0.03 0.00 -0.52 0.00 0.00 55.73 56.13 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 0.33 0.04 0.03 0.14 0.02 0.00 0.00 175.30 175.86 2k3y s VAL 14 N -2.26 0.86 0.03 3.52 -7.23 -0.60 -0.72 120.40 114.00 2k3y s VAL 14 Ca 0.50 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.69 2k3y s VAL 14 Cb -0.10 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2k3y s VAL 14 CO 0.29 -0.24 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.99 2k3y s LEU 15 N -3.30 2.15 -0.03 1.32 2.01 0.67 -0.64 118.68 120.86 2k3y s LEU 15 Ca 0.31 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 54.08 2k3y s LEU 15 Cb 0.07 -0.38 0.01 0.00 0.01 0.00 0.00 46.19 45.90 2k3y s LEU 15 CO 0.10 -0.03 -0.05 0.00 1.01 0.00 0.00 176.35 177.38 2k3y s ALA 16 N -0.81 0.59 -0.18 4.21 0.00 -0.50 -1.10 121.76 123.97 2k3y s ALA 16 Ca -0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 2k3y s ALA 16 Cb -0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2k3y s ALA 16 CO 0.01 0.05 0.40 0.12 0.00 0.00 0.00 175.76 176.33 2k3y s PHE 17 N 0.47 3.41 -1.44 0.00 5.36 -0.54 -1.20 117.98 124.03 2k3y s PHE 17 Ca -0.06 0.65 0.19 0.00 -0.96 0.00 0.00 56.93 56.75 2k3y s PHE 17 Cb -0.10 -2.51 -0.07 0.00 -0.34 0.00 0.00 43.02 40.01 2k3y s PHE 17 CO -0.00 0.05 0.90 0.72 -1.46 0.00 0.00 175.22 175.42 2k3y n HIS 18 N 4.24 0.00 0.00 10.12 8.25 0.01 -4.75 115.22 133.09 2k3y n HIS 18 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2k3y n HIS 18 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 1.33 1.64 0.16 -1.41 0.00 -1.26 -4.85 105.19 100.80 2k3y n GLY 19 Ca 0.06 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 0.38 -4.43 1.61 0.13 -1.96 -3.48 132.00 124.25 2k3y h PRO 20 Ca 0.00 -0.35 -0.35 0.00 -0.87 0.00 0.00 66.00 64.44 2k3y h PRO 20 Cb 0.00 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 31.11 2k3y h PRO 20 CO 0.00 1.00 -0.32 -1.17 -0.23 0.00 0.00 178.00 177.28 2k3y s LEU 21 N -7.83 1.29 0.14 1.56 0.20 -1.26 -5.01 118.68 107.78 2k3y s LEU 21 Ca -0.05 -1.58 0.02 0.00 0.69 0.00 0.00 54.13 53.21 2k3y s LEU 21 Cb 0.10 1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 46.90 2k3y s LEU 21 CO 0.85 -1.19 -0.04 0.00 -0.29 0.00 0.00 176.35 175.67 2k3y s MET 22 N -3.25 1.01 0.16 1.98 0.23 -1.26 -0.81 119.30 117.36 2k3y s MET 22 Ca 0.35 -1.45 0.02 0.00 -1.03 0.00 0.00 55.69 53.57 2k3y s MET 22 Cb 0.01 -0.33 -0.05 0.00 -1.53 0.00 0.00 34.83 32.94 2k3y s MET 22 CO 0.23 -0.05 -0.00 0.71 -2.03 0.00 0.00 175.02 173.88 2k3y s TYR 23 N -3.57 1.17 0.39 3.16 2.02 -0.34 -4.96 117.35 115.22 2k3y s TYR 23 Ca 0.18 -1.01 -0.24 0.00 -0.37 0.00 0.00 57.07 55.63 2k3y s TYR 23 Cb 0.05 -0.67 -0.09 0.00 -0.40 0.00 0.00 41.96 40.85 2k3y s TYR 23 CO 0.00 -0.21 1.05 -1.21 -1.57 0.00 0.00 175.55 173.61 2k3y s GLU 24 N -3.91 4.19 0.08 -0.62 8.01 -1.26 -1.41 118.70 123.78 2k3y s GLU 24 Ca 0.23 1.53 0.01 0.00 0.01 0.00 0.00 54.97 56.75 2k3y s GLU 24 Cb 0.06 -2.58 -0.04 0.00 -4.31 0.00 0.00 34.13 27.26 2k3y s GLU 24 CO 0.03 -0.12 -0.06 0.00 0.01 0.00 0.00 175.26 175.12 2k3y s ALA 25 N -1.62 0.78 -0.34 5.21 0.00 0.18 -1.50 121.76 124.47 2k3y s ALA 25 Ca 0.57 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2k3y s ALA 25 Cb -0.23 0.17 0.15 0.00 0.00 0.00 0.00 23.12 23.22 2k3y s ALA 25 CO 0.29 -0.24 0.36 0.21 0.00 0.00 0.00 175.76 176.38 2k3y s LYS 26 N -3.51 0.53 0.64 0.00 2.20 -0.86 -1.55 119.74 117.20 2k3y s LYS 26 Ca 0.07 -0.55 -0.18 0.00 -0.36 0.00 0.00 55.97 54.95 2k3y s LYS 26 Cb 0.04 -0.64 -0.02 0.00 -1.51 0.00 0.00 37.83 35.69 2k3y s LYS 26 CO -0.05 -1.13 1.19 -0.89 -0.36 0.00 0.00 175.35 174.11 2k3y n ILE 27 N 4.66 4.61 -0.05 5.43 5.41 -1.26 -1.51 119.36 136.65 2k3y n ILE 27 Ca 0.06 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2k3y n ILE 27 Cb 0.46 -1.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 2k3y n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3y n LEU 28 N -1.59 0.00 -4.07 1.39 -0.00 -0.85 -4.34 117.00 107.55 2k3y n LEU 28 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.96 2k3y n LEU 28 Cb 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.75 2k3y n LEU 28 CO 0.48 0.00 -0.45 -0.75 -0.00 0.00 0.00 177.39 176.66 2k3y s LYS 29 N 0.00 0.96 0.05 1.47 2.20 -1.22 -2.12 119.74 121.08 2k3y s LYS 29 Ca 0.00 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 2k3y s LYS 29 Cb 0.00 -0.92 -0.04 0.00 -1.51 0.00 0.00 37.83 35.36 2k3y s LYS 29 CO 0.00 0.24 -0.02 0.96 -0.36 0.00 0.00 175.35 176.18 2k3y s ILE 30 N -0.25 0.21 0.02 5.43 -4.36 0.26 -0.38 121.20 122.14 2k3y s ILE 30 Ca 0.04 -1.78 -0.06 0.00 -0.26 0.00 0.00 60.65 58.60 2k3y s ILE 30 Cb -0.05 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 2k3y s ILE 30 CO -0.00 -0.97 0.10 0.86 0.24 0.00 0.00 174.94 175.16 2k3y s TRP 31 N -3.92 0.15 -0.09 1.37 -0.11 0.04 -0.97 118.94 115.41 2k3y s TRP 31 Ca 0.07 -0.38 -0.13 0.00 1.22 0.00 0.00 56.10 56.88 2k3y s TRP 31 Cb 0.08 -0.11 0.03 0.00 -1.50 0.00 0.00 33.47 31.96 2k3y s TRP 31 CO -0.10 -0.32 0.33 0.34 -4.62 0.00 0.00 176.95 172.59 2k3y s ASP 32 N -1.79 -0.30 0.00 5.86 -1.08 -1.24 -1.58 116.67 116.54 2k3y s ASP 32 Ca -0.10 0.48 0.18 0.00 -0.52 0.00 0.00 52.55 52.59 2k3y s ASP 32 Cb -0.04 0.57 1.00 0.00 -1.46 0.00 0.00 42.92 42.98 2k3y s ASP 32 CO -0.02 -0.24 1.48 -0.81 0.52 0.00 0.00 175.17 176.10 2k3y n PRO 33 N 2.31 0.45 0.05 4.34 -0.04 -1.25 -3.17 135.00 137.69 2k3y n PRO 33 Ca -0.16 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.36 2k3y n PRO 33 Cb 0.57 -1.50 0.36 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 0.38 0.00 3.54 0.02 -1.92 -3.30 113.55 112.27 2k3y h SER 34 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2k3y h SER 34 Cb 0.06 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2k3y h SER 34 CO 0.00 0.44 0.00 -1.54 -1.14 0.00 0.00 176.83 174.59 2k3y n SER 35 N -4.32 0.20 -3.91 3.07 3.41 -1.25 -5.02 113.62 105.80 2k3y n SER 35 Ca 0.01 -0.95 -0.28 0.00 -0.26 0.00 0.00 58.87 57.39 2k3y n SER 35 Cb 0.21 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.73 -3.87 4.33 4.01 -1.19 -5.00 118.16 113.70 2k3y n LYS 36 Ca 0.00 0.40 -0.10 0.00 -0.51 0.00 0.00 58.31 58.10 2k3y n LYS 36 Cb 0.19 -4.35 -0.08 0.00 -0.51 0.00 0.00 35.03 30.28 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 -6.48 0.73 0.51 1.97 -1.94 -1.25 -4.64 119.30 108.18 2k3y s MET 37 Ca 0.12 -0.77 0.07 0.00 -1.71 0.00 0.00 55.69 53.39 2k3y s MET 37 Cb -0.05 0.30 0.03 0.00 2.01 0.00 0.00 34.83 37.12 2k3y s MET 37 CO 0.89 -0.21 0.46 1.52 -0.01 0.00 0.00 175.02 177.66 2k3y s TYR 38 N -3.04 1.96 0.03 -0.03 1.13 -1.25 -3.66 117.35 112.48 2k3y s TYR 38 Ca -0.01 -0.70 -0.03 0.00 -1.41 0.00 0.00 57.07 54.92 2k3y s TYR 38 Cb 0.01 -2.05 -0.02 0.00 -1.10 0.00 0.00 41.96 38.80 2k3y s TYR 38 CO -0.07 -0.47 0.03 0.95 -2.51 0.00 0.00 175.55 173.49 2k3y s THR 39 N -2.65 0.13 0.08 -3.49 -4.23 -0.15 -4.03 115.64 101.29 2k3y s THR 39 Ca 0.43 -1.06 -0.16 0.00 -1.18 0.00 0.00 61.69 59.73 2k3y s THR 39 Cb -0.03 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.20 2k3y s THR 39 CO 0.26 -0.58 0.37 -0.44 -0.54 0.00 0.00 174.62 173.69 2k3y s SER 40 N -1.84 -0.20 0.10 3.99 0.01 -1.26 -0.57 113.70 113.93 2k3y s SER 40 Ca -0.09 -0.21 -0.10 0.00 1.31 0.00 0.00 55.95 56.86 2k3y s SER 40 Cb -0.05 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2k3y s SER 40 CO -0.03 -0.73 0.24 0.27 0.41 0.00 0.00 173.24 173.40 2k3y s ILE 41 N -3.09 0.12 0.00 1.44 -4.36 -0.90 -1.39 121.20 113.02 2k3y s ILE 41 Ca -0.01 -1.11 -0.05 0.00 -0.26 0.00 0.00 60.65 59.22 2k3y s ILE 41 Cb 0.01 -1.38 -0.23 0.00 1.25 0.00 0.00 42.46 42.11 2k3y s ILE 41 CO -0.07 -0.55 3.21 -0.81 0.24 0.00 0.00 174.94 176.96 2k3y n PRO 42 N -0.11 1.74 0.05 0.37 -0.04 -1.26 -4.42 135.00 131.33 2k3y n PRO 42 Ca -0.14 -0.84 -0.12 0.00 -0.04 0.00 0.00 63.50 62.36 2k3y n PRO 42 Cb 0.63 -1.89 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 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 3.16 -0.04 -5.04 3.54 -0.73 -1.89 -3.48 115.58 111.11 2k3y h ASN 43 Ca 0.16 -0.07 0.15 0.00 1.87 0.00 0.00 56.30 58.40 2k3y h ASN 43 Cb 1.33 0.01 -0.11 0.00 0.27 0.00 0.00 38.32 39.82 2k3y h ASN 43 CO 0.24 0.05 0.49 -0.62 -0.37 0.00 0.00 177.43 177.22 2k3y s ASP 44 N -5.23 -0.26 0.50 1.15 2.15 -1.26 -5.10 116.67 108.62 2k3y s ASP 44 Ca -0.14 -0.22 -0.21 0.00 0.43 0.00 0.00 52.55 52.41 2k3y s ASP 44 Cb 0.05 0.44 -0.07 0.00 -0.30 0.00 0.00 42.92 43.05 2k3y s ASP 44 CO 0.66 -0.78 1.15 -1.59 -0.17 0.00 0.00 175.17 174.45 2k3y s LYS 45 N -3.21 3.54 0.26 4.34 -2.85 -1.26 -4.30 119.74 116.26 2k3y s LYS 45 Ca 0.09 1.71 0.18 0.00 -1.00 0.00 0.00 55.97 56.94 2k3y s LYS 45 Cb -0.01 -2.21 0.95 0.00 -2.06 0.00 0.00 37.83 34.50 2k3y s LYS 45 CO -0.03 -0.72 1.54 -2.30 0.10 0.00 0.00 175.35 173.94 2k3y n PRO 46 N -0.90 0.11 0.00 1.78 -0.02 -1.26 -4.89 135.00 129.82 2k3y n PRO 46 Ca 0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2k3y n PRO 46 Cb 0.49 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.31 2.96 1.00 -1.23 0.00 -1.26 -4.80 105.19 100.54 2k3y n GLY 47 Ca -0.01 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.32 2k3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 48 N 0.00 3.14 3.15 -0.02 0.00 -1.26 -4.95 105.19 105.25 2k3y n GLY 48 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2k3y n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 49 N -1.26 0.98 0.05 1.61 0.01 -1.26 -5.09 113.70 108.74 2k3y s SER 49 Ca 0.37 -1.00 -0.22 0.00 1.31 0.00 0.00 55.95 56.41 2k3y s SER 49 Cb 0.25 0.12 -0.14 0.00 0.21 0.00 0.00 66.02 66.45 2k3y s SER 49 CO 0.17 -0.49 1.47 0.28 0.41 0.00 0.00 173.24 175.07 2k3y h SER 50 N 3.03 0.18 -4.56 2.44 0.02 -1.99 -3.41 113.55 109.25 2k3y h SER 50 Ca -0.35 -0.31 0.14 0.00 -0.84 0.00 0.00 61.79 60.44 2k3y h SER 50 Cb 1.16 -0.05 -0.16 0.00 0.14 0.00 0.00 62.40 63.49 2k3y h SER 50 CO 0.65 0.44 0.57 0.00 -1.14 0.00 0.00 176.83 177.35 2k3y s GLN 51 N -4.97 0.71 0.72 3.45 -2.07 -1.26 -4.71 119.66 111.53 2k3y s GLN 51 Ca -0.14 -0.26 -0.11 0.00 -1.82 0.00 0.00 55.36 53.02 2k3y s GLN 51 Cb 0.05 0.32 0.03 0.00 -1.09 0.00 0.00 33.01 32.32 2k3y s GLN 51 CO 0.70 -0.31 1.07 0.00 -1.32 0.00 0.00 175.29 175.44 2k3y s ALA 52 N -2.96 2.51 -0.48 2.60 0.00 -1.26 -4.94 121.76 117.23 2k3y s ALA 52 Ca 0.06 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.23 2k3y s ALA 52 Cb -0.01 -3.22 0.14 0.00 0.00 0.00 0.00 23.12 20.03 2k3y s ALA 52 CO -0.08 -1.43 0.29 0.95 0.00 0.00 0.00 175.76 175.49 2k3y s THR 53 N -2.95 1.58 0.00 0.00 -4.23 -1.26 -4.60 115.64 104.19 2k3y s THR 53 Ca 0.60 -2.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 2k3y s THR 53 Cb -0.15 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2k3y s THR 53 CO 0.54 -0.94 0.00 0.29 -0.54 0.00 0.00 174.62 173.97 2k3y n LYS 54 N 3.20 0.00 -1.73 3.99 5.02 -1.26 -4.18 118.16 123.19 2k3y n LYS 54 Ca 0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 2k3y n LYS 54 Cb 0.36 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 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 3.38 0.25 1.97 2.12 -1.26 -3.98 118.70 121.18 2k3y s GLU 55 Ca 0.00 1.98 -0.30 0.00 0.36 0.00 0.00 54.97 57.01 2k3y s GLU 55 Cb 0.00 -4.28 -0.09 0.00 0.26 0.00 0.00 34.13 30.02 2k3y s GLU 55 CO 0.00 -1.82 1.08 0.42 -0.54 0.00 0.00 175.26 174.40 2k3y s ILE 56 N 7.20 3.65 0.29 -3.70 1.01 -0.49 -5.00 121.20 124.17 2k3y s ILE 56 Ca 0.92 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.89 2k3y s ILE 56 Cb -0.32 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.03 2k3y s ILE 56 CO 0.35 0.36 1.31 -0.54 0.00 0.00 0.00 174.94 176.43 2k3y s LYS 57 N -1.19 4.37 0.24 2.79 -0.14 -1.26 -4.25 119.74 120.29 2k3y s LYS 57 Ca 0.45 2.17 -0.30 0.00 -1.36 0.00 0.00 55.97 56.93 2k3y s LYS 57 Cb -0.31 -3.11 -0.09 0.00 -1.68 0.00 0.00 37.83 32.65 2k3y s LYS 57 CO 0.38 -0.20 1.25 -1.25 -0.76 0.00 0.00 175.35 174.77 2k3y s PRO 58 N -1.28 4.44 0.06 -1.68 0.04 -1.26 -4.93 135.00 130.40 2k3y s PRO 58 Ca 0.51 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.56 2k3y s PRO 58 Cb -0.39 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2k3y s PRO 58 CO 0.48 -0.13 -0.04 -0.65 0.04 0.00 0.00 177.00 176.70 2k3y s GLN 59 N -0.69 0.67 0.19 4.56 -0.21 -1.26 -4.96 119.66 117.96 2k3y s GLN 59 Ca 0.52 -1.23 -0.31 0.00 0.02 0.00 0.00 55.36 54.36 2k3y s GLN 59 Cb -0.36 0.08 -0.10 0.00 1.00 0.00 0.00 33.01 33.63 2k3y s GLN 59 CO 0.41 -0.08 1.51 0.15 -2.12 0.00 0.00 175.29 175.17 2k3y s LYS 60 N -3.79 4.24 0.52 2.91 -0.14 -1.26 -3.87 119.74 118.35 2k3y s LYS 60 Ca 0.08 2.33 -0.15 0.00 -1.36 0.00 0.00 55.97 56.86 2k3y s LYS 60 Cb 0.06 -3.14 -0.07 0.00 -1.68 0.00 0.00 37.83 33.00 2k3y s LYS 60 CO -0.08 -0.53 0.97 -1.17 -0.76 0.00 0.00 175.35 173.78 2k3y s LEU 61 N 0.58 3.57 0.00 3.17 0.20 -1.26 -4.65 118.68 120.28 2k3y s LEU 61 Ca 0.66 1.50 0.00 0.00 0.69 0.00 0.00 54.13 56.98 2k3y s LEU 61 Cb -0.43 -4.46 0.00 0.00 -0.43 0.00 0.00 46.19 40.88 2k3y s LEU 61 CO 0.36 -0.62 0.00 0.61 -0.29 0.00 0.00 176.35 176.40 2k3y n GLY 62 N -1.78 1.87 0.13 7.98 0.00 -1.26 -5.03 105.19 107.10 2k3y n GLY 62 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 0.34 0.00 1.61 4.39 -2.01 -3.41 114.58 115.49 2k3y h GLU 63 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2k3y h GLU 63 Cb 0.00 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2k3y h GLU 63 CO 0.00 1.19 0.00 -3.47 -1.16 0.00 0.00 179.01 175.57 2k3y n ASP 64 N -3.62 0.00 -4.41 1.42 2.03 -1.26 -5.14 116.55 105.56 2k3y n ASP 64 Ca -0.08 -1.00 -0.25 0.00 0.52 0.00 0.00 54.79 53.98 2k3y n ASP 64 Cb 0.95 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 41.26 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 0.00 1.84 -0.18 -0.67 8.01 -1.26 -5.11 118.70 121.32 2k3y s GLU 65 Ca 0.00 -2.08 -0.17 0.00 0.01 0.00 0.00 54.97 52.73 2k3y s GLU 65 Cb 0.00 -0.96 0.05 0.00 -4.31 0.00 0.00 34.13 28.91 2k3y s GLU 65 CO 0.00 -0.28 0.50 -1.12 0.01 0.00 0.00 175.26 174.36 2k3y s SER 66 N -3.60 -0.51 -0.03 -0.19 0.01 -1.26 -4.40 113.70 103.72 2k3y s SER 66 Ca 0.28 0.98 0.01 0.00 1.31 0.00 0.00 55.95 58.53 2k3y s SER 66 Cb 0.06 0.99 0.02 0.00 0.21 0.00 0.00 66.02 67.30 2k3y s SER 66 CO 0.14 -0.19 -0.05 0.27 0.41 0.00 0.00 173.24 173.82 2k3y s ILE 67 N 0.20 0.53 0.80 1.44 -4.36 -1.26 -4.81 121.20 113.73 2k3y s ILE 67 Ca -0.01 -0.16 -0.10 0.00 -0.26 0.00 0.00 60.65 60.12 2k3y s ILE 67 Cb -0.03 -0.53 0.07 0.00 1.25 0.00 0.00 42.46 43.22 2k3y s ILE 67 CO 0.01 0.20 1.10 -2.16 0.24 0.00 0.00 174.94 174.34 2k3y s PRO 68 N 0.64 2.03 0.30 0.37 0.04 -1.26 -4.83 135.00 132.29 2k3y s PRO 68 Ca -0.08 1.24 0.16 0.00 0.04 0.00 0.00 61.00 62.35 2k3y s PRO 68 Cb -0.12 -1.87 0.89 0.00 0.04 0.00 0.00 34.50 33.44 2k3y s PRO 68 CO 0.00 -1.83 1.44 0.39 0.04 0.00 0.00 177.00 177.05 2k3y n GLU 69 N -3.65 0.11 0.12 4.56 1.02 -1.26 -1.58 120.64 119.95 2k3y n GLU 69 Ca 0.10 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 2k3y n GLU 69 Cb 0.53 -2.00 0.31 0.00 -0.02 0.00 0.00 31.44 30.26 2k3y n GLU 69 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k3y h GLU 70 N 0.00 0.21 0.00 3.49 4.39 -2.02 -3.32 114.58 117.33 2k3y h GLU 70 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k3y h GLU 70 Cb 0.29 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2k3y h GLU 70 CO 0.00 0.49 -0.29 0.44 -1.16 0.00 0.00 179.01 178.49 2k3y n ILE 71 N -4.13 0.00 -0.19 3.13 -5.35 -0.61 -4.49 119.36 107.72 2k3y n ILE 71 Ca -0.01 -0.36 -0.00 0.00 -0.27 0.00 0.00 62.75 62.10 2k3y n ILE 71 Cb 0.39 0.87 0.10 0.00 -1.74 0.00 0.00 39.64 39.25 2k3y n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3y h ILE 72 N 0.00 0.67 -0.05 7.28 1.08 -1.60 -2.64 117.51 122.25 2k3y h ILE 72 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2k3y h ILE 72 Cb 0.02 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 2k3y h ILE 72 CO 0.00 0.05 0.00 -0.46 -0.69 0.00 0.00 178.15 177.05 2k3y n ASN 73 N -5.12 0.29 -2.70 1.72 0.23 -1.25 -3.93 115.26 104.51 2k3y n ASN 73 Ca 0.08 -1.86 -0.12 0.00 -0.53 0.00 0.00 54.58 52.15 2k3y n ASN 73 Cb 0.30 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.66 2.06 3.73 4.83 0.00 -1.00 -4.71 105.19 110.76 2k3y n GLY 74 Ca 0.05 -1.52 -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 0.54 0.00 0.00 0.00 173.32 173.86 2k3y s LYS 75 N -2.59 4.22 0.05 1.61 -0.14 -1.26 -4.18 119.74 117.45 2k3y s LYS 75 Ca 0.23 2.37 0.02 0.00 -1.36 0.00 0.00 55.97 57.23 2k3y s LYS 75 Cb -0.01 -3.13 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2k3y s LYS 75 CO 0.17 -0.56 -0.07 -1.12 -0.76 0.00 0.00 175.35 173.01 2k3y s SER 76 N 0.87 0.86 -0.12 2.83 0.01 -0.61 -4.14 113.70 113.40 2k3y s SER 76 Ca 0.67 -0.68 -0.03 0.00 1.31 0.00 0.00 55.95 57.21 2k3y s SER 76 Cb -0.44 0.06 0.05 0.00 0.21 0.00 0.00 66.02 65.90 2k3y s SER 76 CO 0.36 -0.30 0.05 -0.36 0.41 0.00 0.00 173.24 173.40 2k3y s PHE 77 N -2.07 0.46 -0.09 2.43 0.08 -0.86 -0.78 117.98 117.15 2k3y s PHE 77 Ca -0.04 -0.27 -0.29 0.00 0.12 0.00 0.00 56.93 56.45 2k3y s PHE 77 Cb -0.05 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2k3y s PHE 77 CO -0.01 -0.42 0.98 0.12 -0.10 0.00 0.00 175.22 175.79 2k3y s PHE 78 N 2.04 3.54 0.06 0.36 5.36 0.49 -1.65 117.98 128.18 2k3y s PHE 78 Ca 0.03 1.58 0.01 0.00 -0.96 0.00 0.00 56.93 57.59 2k3y s PHE 78 Cb -0.14 -3.15 -0.04 0.00 -0.34 0.00 0.00 43.02 39.35 2k3y s PHE 78 CO -0.06 -0.17 -0.05 0.96 -1.46 0.00 0.00 175.22 174.43 2k3y s ILE 79 N 1.79 0.47 -0.25 3.12 -4.36 -0.83 -2.00 121.20 119.13 2k3y s ILE 79 Ca 0.48 -1.61 -0.08 0.00 -0.26 0.00 0.00 60.65 59.19 2k3y s ILE 79 Cb -0.19 -1.25 -0.03 0.00 1.25 0.00 0.00 42.46 42.24 2k3y s ILE 79 CO 0.20 -0.76 0.08 -2.28 0.24 0.00 0.00 174.94 172.41 2k3y s HIS 80 N -2.99 3.10 -0.11 1.37 5.65 -0.57 -3.30 115.29 118.44 2k3y s HIS 80 Ca 0.03 -0.36 -0.29 0.00 0.25 0.00 0.00 55.06 54.68 2k3y s HIS 80 Cb 0.01 -2.25 -0.03 0.00 -1.18 0.00 0.00 32.58 29.13 2k3y s HIS 80 CO -0.05 -0.33 1.40 0.71 -0.65 0.00 0.00 174.74 175.82 2k3y s TYR 81 N 1.61 2.58 0.48 3.88 2.02 -1.26 -2.02 117.35 124.64 2k3y s TYR 81 Ca 0.06 0.73 -0.21 0.00 -0.37 0.00 0.00 57.07 57.29 2k3y s TYR 81 Cb -0.15 -3.65 -0.08 0.00 -0.40 0.00 0.00 41.96 37.69 2k3y s TYR 81 CO 0.04 -2.44 1.10 -0.65 -1.57 0.00 0.00 175.55 172.03 2k3y s GLN 82 N 3.54 3.74 0.00 -0.62 -0.21 -0.56 -2.63 119.66 122.92 2k3y s GLN 82 Ca 0.61 1.56 0.00 0.00 0.02 0.00 0.00 55.36 57.55 2k3y s GLN 82 Cb -0.26 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 31.52 2k3y s GLN 82 CO 0.21 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 173.27 2k3y n GLY 83 N 0.14 0.20 3.33 3.09 0.00 -1.26 -4.67 105.19 106.02 2k3y n GLY 83 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.42 1.56 0.73 1.61 0.52 -1.08 -5.15 118.94 115.71 2k3y s TRP 84 Ca 0.00 -0.89 -0.11 0.00 0.02 0.00 0.00 56.10 55.12 2k3y s TRP 84 Cb 0.00 -0.90 0.03 0.00 -1.15 0.00 0.00 33.47 31.45 2k3y s TRP 84 CO 0.00 -0.00 1.07 0.15 0.02 0.00 0.00 176.95 178.19 2k3y s LYS 85 N -3.84 2.69 0.62 4.98 1.02 -1.26 -4.84 119.74 119.10 2k3y s LYS 85 Ca 0.27 0.84 0.38 0.00 0.02 0.00 0.00 55.97 57.49 2k3y s LYS 85 Cb 0.05 -1.97 2.05 0.00 -0.52 0.00 0.00 37.83 37.44 2k3y s LYS 85 CO 0.08 -1.25 2.26 0.77 -0.92 0.00 0.00 175.35 176.30 2k3y h SER 86 N -0.82 0.00 -0.25 2.83 0.02 -1.93 -2.08 113.55 111.31 2k3y h SER 86 Ca -0.45 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.57 2k3y h SER 86 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2k3y h SER 86 CO 0.58 0.02 0.28 0.28 -1.14 0.00 0.00 176.83 176.84 2k3y h SER 87 N 0.00 0.00 -0.15 3.07 0.02 -1.97 -1.85 113.55 112.67 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 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k3y h SER 87 CO 0.00 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.48 2k3y n TRP 88 N -3.77 0.17 -2.02 3.45 7.02 -0.78 -4.90 117.44 116.60 2k3y n TRP 88 Ca 0.03 -0.09 -0.43 0.00 -1.02 0.00 0.00 57.50 56.00 2k3y n TRP 88 Cb 0.41 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.28 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 -1.69 6.33 0.26 -0.99 1.11 -0.70 -4.70 116.67 116.29 2k3y s ASP 89 Ca 0.29 1.79 -0.18 0.00 0.18 0.00 0.00 52.55 54.64 2k3y s ASP 89 Cb 0.19 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.67 2k3y s ASP 89 CO 0.28 -1.27 0.62 -0.70 1.18 0.00 0.00 175.17 175.28 2k3y s GLU 90 N 4.75 1.67 0.07 8.23 2.56 -1.21 -5.00 118.70 129.76 2k3y s GLU 90 Ca 0.76 -1.06 0.00 0.00 0.00 0.00 0.00 54.97 54.67 2k3y s GLU 90 Cb -0.28 0.56 -0.04 0.00 2.00 0.00 0.00 34.13 36.37 2k3y s GLU 90 CO 0.31 -0.74 0.22 -1.58 -0.56 0.00 0.00 175.26 172.91 2k3y s TRP 91 N -3.95 3.51 0.14 5.30 0.52 -1.26 -1.95 118.94 121.25 2k3y s TRP 91 Ca 0.14 0.24 0.06 0.00 0.02 0.00 0.00 56.10 56.56 2k3y s TRP 91 Cb -0.04 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 2k3y s TRP 91 CO 0.06 0.58 -0.15 0.14 0.02 0.00 0.00 176.95 177.61 2k3y s VAL 92 N -1.53 1.44 0.55 4.03 -7.23 -0.66 -4.92 120.40 112.08 2k3y s VAL 92 Ca 0.35 -1.80 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 2k3y s VAL 92 Cb -0.13 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.19 2k3y s VAL 92 CO 0.28 -0.42 0.80 -0.83 -0.31 0.00 0.00 175.10 174.62 2k3y s GLY 93 N -2.57 1.65 0.50 2.32 0.00 -1.26 -2.03 107.32 105.93 2k3y s GLY 93 Ca 0.11 -1.00 0.30 0.00 0.00 0.00 0.00 44.72 44.13 2k3y s GLY 93 CO 0.04 -0.74 1.90 -1.82 0.00 0.00 0.00 173.10 172.47 2k3y h TYR 94 N 0.03 0.00 -0.09 1.90 5.03 -1.79 -0.42 116.97 121.64 2k3y h TYR 94 Ca -0.45 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.89 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 0.42 0.00 0.17 0.22 -1.32 0.00 0.00 178.16 177.66 2k3y h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.30 116.42 112.65 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 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2k3y h ASP 95 CO 0.00 0.00 -0.86 0.54 -2.88 0.00 0.00 179.24 176.04 2k3y n ARG 96 N -3.41 0.35 -3.60 0.28 1.74 -0.25 -4.96 116.66 106.82 2k3y n ARG 96 Ca -0.01 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 2k3y n ARG 96 Cb 0.26 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 30.75 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 -1.86 5.16 0.06 0.55 2.07 -0.67 -1.47 121.20 125.05 2k3y s ILE 97 Ca 0.00 -0.37 -0.20 0.00 -1.41 0.00 0.00 60.65 58.67 2k3y s ILE 97 Cb 0.00 -3.77 0.05 0.00 0.13 0.00 0.00 42.46 38.87 2k3y s ILE 97 CO 0.00 -0.29 0.48 -0.13 -1.91 0.00 0.00 174.94 173.09 2k3y s ARG 98 N -3.61 1.01 0.76 3.50 0.52 -0.25 -4.49 118.95 116.39 2k3y s ARG 98 Ca 0.39 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 2k3y s ARG 98 Cb -0.10 0.46 0.05 0.00 0.52 0.00 0.00 34.95 35.87 2k3y s ARG 98 CO 0.31 -0.36 1.08 0.00 0.02 0.00 0.00 175.30 176.34 2k3y s ALA 99 N -2.63 2.40 -0.16 2.13 0.00 -1.26 -0.24 121.76 122.00 2k3y s ALA 99 Ca -0.04 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 2k3y s ALA 99 Cb -0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2k3y s ALA 99 CO -0.03 -1.55 1.74 -0.47 0.00 0.00 0.00 175.76 175.44 2k3y s TYR 100 N -3.12 1.87 0.15 0.00 6.14 0.10 -4.67 117.35 117.82 2k3y s TYR 100 Ca 0.60 0.36 -0.24 0.00 0.64 0.00 0.00 57.07 58.43 2k3y s TYR 100 Cb -0.14 -3.99 0.07 0.00 0.42 0.00 0.00 41.96 38.31 2k3y s TYR 100 CO 0.54 -3.55 0.69 0.54 0.64 0.00 0.00 175.55 174.42 2k3y s ASN 101 N 4.58 -0.47 0.45 4.32 2.20 -1.26 -4.48 114.94 120.28 2k3y s ASN 101 Ca 0.77 -0.11 0.18 0.00 -0.94 0.00 0.00 52.86 52.77 2k3y s ASN 101 Cb -0.29 0.57 1.14 0.00 -2.00 0.00 0.00 41.25 40.67 2k3y s ASN 101 CO 0.31 -0.95 1.93 -0.33 -2.94 0.00 0.00 177.10 175.12 2k3y h GLU 102 N 2.00 0.30 -0.44 3.55 3.07 -1.98 -0.29 114.58 120.79 2k3y h GLU 102 Ca -0.29 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.51 2k3y h GLU 102 Cb 1.28 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 2k3y h GLU 102 CO 0.34 0.20 0.10 1.49 -1.40 0.00 0.00 179.01 179.74 2k3y h GLU 103 N 0.31 0.71 0.00 2.33 4.81 -1.97 0.44 114.58 121.20 2k3y h GLU 103 Ca 0.35 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2k3y h GLU 103 Cb 0.94 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2k3y h GLU 103 CO -0.09 0.71 -0.50 -0.91 -0.73 0.00 0.00 179.01 177.49 2k3y h ASN 104 N 0.58 0.00 -0.25 1.04 2.35 -1.42 -1.59 115.58 116.29 2k3y h ASN 104 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2k3y h ASN 104 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2k3y h ASN 104 CO 0.00 0.50 -0.05 0.40 -1.65 0.00 0.00 177.43 176.64 2k3y h ILE 105 N 0.00 1.28 -0.63 2.81 1.08 -0.93 0.78 117.51 121.90 2k3y h ILE 105 Ca -0.01 -1.03 0.06 0.00 -0.39 0.00 0.00 64.86 63.50 2k3y h ILE 105 Cb 1.10 1.45 -0.06 0.00 -3.07 0.00 0.00 36.82 36.24 2k3y h ILE 105 CO 0.07 0.32 0.33 0.00 -0.69 0.00 0.00 178.15 178.17 2k3y h ALA 106 N 0.77 0.84 -0.16 1.87 0.00 -0.43 0.23 119.26 122.39 2k3y h ALA 106 Ca 0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k3y h ALA 106 Cb 0.50 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2k3y h ALA 106 CO 0.02 -0.02 -0.15 1.98 0.00 0.00 0.00 179.25 181.08 2k3y h MET 107 N 0.60 -0.17 -0.13 0.00 1.85 -1.23 -1.61 114.93 114.24 2k3y h MET 107 Ca 0.29 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.40 2k3y h MET 107 Cb 0.22 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 2k3y h MET 107 CO -0.20 -0.11 0.07 -0.22 -0.40 0.00 0.00 176.91 176.05 2k3y h LYS 108 N -0.17 0.15 -0.46 0.39 3.64 0.11 -1.44 116.57 118.79 2k3y h LYS 108 Ca 0.10 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 2k3y h LYS 108 Cb 0.33 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2k3y h LYS 108 CO -0.26 0.10 -0.21 0.87 -2.27 0.00 0.00 179.45 177.68 2k3y h LYS 109 N 0.15 0.95 -0.10 1.90 1.57 -0.47 0.22 116.57 120.79 2k3y h LYS 109 Ca 0.05 -0.41 0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2k3y h LYS 109 Cb 0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 2k3y h LYS 109 CO -0.03 1.07 -0.28 0.00 -0.57 0.00 0.00 179.45 179.64 2k3y h ARG 110 N 0.79 -0.36 -0.13 3.15 3.08 -1.13 -2.19 114.38 117.60 2k3y h ARG 110 Ca 0.10 0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 2k3y h ARG 110 Cb 0.78 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.93 2k3y h ARG 110 CO 0.06 -0.24 -0.75 -0.07 -1.07 0.00 0.00 179.97 177.90 2k3y h LEU 111 N -0.37 0.89 0.00 3.04 3.38 -0.86 0.10 115.31 121.48 2k3y h LEU 111 Ca 0.09 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2k3y h LEU 111 Cb 0.51 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2k3y h LEU 111 CO -0.31 1.39 0.09 0.00 0.09 0.00 0.00 178.44 179.70 2k3y n ALA 112 N -2.60 0.84 -0.04 1.53 0.00 0.73 -1.47 120.51 119.50 2k3y n ALA 112 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.29 2k3y n ALA 112 Cb 0.73 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 2k3y n ALA 112 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k3y n ASN 113 N -1.36 1.70 0.08 0.00 5.15 -0.65 -4.74 115.26 115.44 2k3y n ASN 113 Ca 0.00 0.04 -0.04 0.00 -0.60 0.00 0.00 54.58 53.98 2k3y n ASN 113 Cb 0.09 -0.19 0.16 0.00 -0.53 0.00 0.00 39.78 39.30 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 -0.18 0.27 -5.24 1.20 5.08 -0.71 -3.44 114.58 111.56 2k3y h GLU 114 Ca -0.20 -0.16 -0.65 0.00 -1.00 0.00 0.00 59.36 57.35 2k3y h GLU 114 Cb 1.22 0.01 -0.33 0.00 0.50 0.00 0.00 28.75 30.15 2k3y h GLU 114 CO -0.09 0.72 -0.87 0.00 -1.00 0.00 0.00 179.01 177.77 2k3y s ALA 115 N -3.96 2.02 -0.31 3.43 0.00 -0.54 -4.97 121.76 117.43 2k3y s ALA 115 Ca -0.05 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2k3y s ALA 115 Cb 0.13 -0.77 0.17 0.00 0.00 0.00 0.00 23.12 22.65 2k3y s ALA 115 CO 0.79 0.27 1.22 0.41 0.00 0.00 0.00 175.76 178.45 2k3y n GLY 116 N 3.55 -1.33 2.18 0.00 0.00 -1.26 -4.56 105.19 103.77 2k3y n GLY 116 Ca -0.20 0.46 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.02 3.82 0.31 1.61 7.64 -1.25 -4.95 113.62 120.78 2k3y n SER 117 Ca -0.19 -3.25 0.12 0.00 1.01 0.00 0.00 58.87 56.55 2k3y n SER 117 Cb 0.69 -0.39 0.62 0.00 -1.01 0.00 0.00 64.21 64.13 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 3.16 0.00 -2.02 0.44 2.02 -1.90 -3.38 112.91 111.22 2k3y h THR 118 Ca 0.21 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.41 2k3y h THR 118 Cb 1.45 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2k3y h THR 118 CO 0.56 0.00 0.12 0.61 0.37 0.00 0.00 175.52 177.18 2k3y n GLY 119 N -1.27 1.40 3.36 2.16 0.00 -1.26 -4.83 105.19 104.75 2k3y n GLY 119 Ca -0.02 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.93 -5.38 -3.90 1.61 7.64 -1.26 -5.01 113.62 106.38 2k3y n SER 120 Ca -0.01 -0.44 -0.11 0.00 1.01 0.00 0.00 58.87 59.32 2k3y n SER 120 Cb 0.15 -4.33 -0.11 0.00 -1.01 0.00 0.00 64.21 58.91 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 -3.17 -0.16 0.00 -0.43 0.00 -1.26 -5.06 121.76 111.69 2k3y s ALA 121 Ca 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2k3y s ALA 121 Cb -0.21 0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2k3y s ALA 121 CO 0.55 -0.16 1.62 -0.35 0.00 0.00 0.00 175.76 177.41 2k3y n PRO 122 N 1.77 0.99 -3.41 0.00 -0.04 -1.26 -4.80 135.00 128.24 2k3y n PRO 122 Ca -0.21 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.13 2k3y n PRO 122 Cb 0.56 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.98 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 1.15 -0.11 -0.11 0.55 0.00 -1.26 -5.03 120.51 115.69 2k3y n ALA 123 Ca 0.00 -1.25 0.10 0.00 0.00 0.00 0.00 53.44 52.29 2k3y n ALA 123 Cb 0.49 1.01 0.45 0.00 0.00 0.00 0.00 19.45 21.40 2k3y n ALA 123 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2k3y h THR 124 N 1.76 0.94 0.00 0.00 1.35 -1.88 -3.46 112.91 111.62 2k3y h THR 124 Ca -0.20 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2k3y h THR 124 Cb 0.88 0.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2k3y h THR 124 CO 0.27 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2k3y n GLY 125 N -1.49 0.62 2.11 5.82 0.00 -1.26 -4.05 105.19 106.93 2k3y n GLY 125 Ca 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.69 0.32 0.00 -0.02 0.00 -1.26 -3.81 105.19 97.73 2k3y n GLY 126 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.70 0.00 0.00 1.61 0.24 -1.26 -4.01 118.33 111.21 2k3y n VAL 127 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2k3y n VAL 127 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 2k3y n VAL 127 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2k3y n LYS 129 N 0.00 0.00 0.05 7.34 0.00 -1.26 -4.85 118.16 119.44 2k3y n LYS 129 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 2k3y n LYS 129 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 2k3y n LYS 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2k3y h PRO 130 N 0.00 0.59 0.00 1.64 0.13 -2.02 -3.35 132.00 128.99 2k3y h PRO 130 Ca 0.00 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2k3y h PRO 130 Cb 0.00 0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.34 2k3y h PRO 130 CO 0.00 1.29 0.00 -2.39 -0.23 0.00 0.00 178.00 176.67 2k3y n HIS 131 N -3.94 0.00 -0.74 1.56 1.44 -1.26 -4.82 115.22 107.46 2k3y n HIS 131 Ca -0.12 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.28 2k3y n HIS 131 Cb 0.87 0.00 0.16 0.00 0.12 0.00 0.00 29.99 31.14 2k3y n HIS 131 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k3y s ARG 132 N -2.00 1.05 0.60 -1.40 0.52 -1.26 -4.96 118.95 111.50 2k3y s ARG 132 Ca 0.24 1.48 -0.19 0.00 -0.52 0.00 0.00 55.73 56.74 2k3y s ARG 132 Cb 0.11 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2k3y s ARG 132 CO 0.18 -2.59 1.18 0.66 0.02 0.00 0.00 175.30 174.76 2k3y n TYR 133 N -4.20 1.60 -1.50 -0.53 4.01 -1.26 -5.20 117.16 110.08 2k3y n TYR 133 Ca 0.11 0.43 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 2k3y n TYR 133 Cb 0.52 -2.25 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 2k3y n TYR 133 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27