#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 0.06 0.29 2.03 0.11 -1.26 -5.18 120.40 116.44 2k3y s VAL 2 Ca 0.00 -0.45 -0.15 0.00 -2.93 0.00 0.00 61.98 58.45 2k3y s VAL 2 Cb 0.00 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2k3y s VAL 2 CO 0.00 -0.25 0.60 -0.62 -3.33 0.00 0.00 175.10 171.50 2k3y s ASP 3 N -1.90 -0.04 -1.44 3.54 -1.08 -1.26 -4.95 116.67 109.54 2k3y s ASP 3 Ca -0.06 -0.91 -0.00 0.00 -0.52 0.00 0.00 52.55 51.06 2k3y s ASP 3 Cb -0.01 0.68 0.00 0.00 -1.46 0.00 0.00 42.92 42.13 2k3y s ASP 3 CO -0.01 -1.30 0.04 0.18 0.52 0.00 0.00 175.17 174.60 2k3y n LEU 4 N -0.44 -1.62 -0.21 -1.34 4.77 -1.26 -4.86 117.00 112.03 2k3y n LEU 4 Ca -0.03 0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2k3y n LEU 4 Cb 0.61 -2.58 0.10 0.00 -2.33 0.00 0.00 43.42 39.21 2k3y n LEU 4 CO 0.21 -0.15 1.03 -0.08 -1.33 0.00 0.00 177.39 177.07 2k3y h GLU 5 N -0.09 0.51 -2.75 3.23 4.81 -1.97 -3.35 114.58 114.96 2k3y h GLU 5 Ca -0.41 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 58.46 2k3y h GLU 5 Cb 1.30 -0.11 -0.37 0.00 0.63 0.00 0.00 28.75 30.20 2k3y h GLU 5 CO 0.48 0.34 -0.65 -1.14 -0.73 0.00 0.00 179.01 177.31 2k3y s GLN 6 N -6.10 0.13 0.99 1.92 0.74 -1.26 -5.11 119.66 110.98 2k3y s GLN 6 Ca -0.13 0.25 -0.12 0.00 0.05 0.00 0.00 55.36 55.42 2k3y s GLN 6 Cb 0.16 -1.07 0.19 0.00 1.10 0.00 0.00 33.01 33.39 2k3y s GLN 6 CO 0.75 -0.57 1.08 -1.21 -0.55 0.00 0.00 175.29 174.79 2k3y s GLU 7 N 2.29 0.44 0.19 1.67 2.02 -1.26 -4.57 118.70 119.47 2k3y s GLU 7 Ca 0.05 0.93 -0.33 0.00 0.02 0.00 0.00 54.97 55.64 2k3y s GLU 7 Cb -0.15 -1.70 -0.13 0.00 0.10 0.00 0.00 34.13 32.25 2k3y s GLU 7 CO -0.10 -2.84 1.62 1.97 0.02 0.00 0.00 175.26 175.93 2k3y n PHE 8 N -4.31 2.46 -4.52 1.61 1.16 -1.26 -4.76 117.46 107.84 2k3y n PHE 8 Ca 0.06 0.20 -0.30 0.00 -1.87 0.00 0.00 57.45 55.55 2k3y n PHE 8 Cb 0.54 -2.58 -0.17 0.00 -1.61 0.00 0.00 39.48 35.66 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 0.87 1.84 -0.85 1.98 0.00 -1.26 -5.02 121.76 119.32 2k3y s ALA 9 Ca 0.76 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2k3y s ALA 9 Cb -0.61 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2k3y s ALA 9 CO 0.37 -0.06 0.90 1.28 0.00 0.00 0.00 175.76 178.26 2k3y n LEU 10 N 4.16 0.00 -1.86 0.00 4.77 -1.26 -0.89 117.00 121.91 2k3y n LEU 10 Ca -0.19 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 2k3y n LEU 10 Cb 0.51 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2k3y n LEU 10 CO 0.25 -0.41 0.31 0.61 -1.33 0.00 0.00 177.39 176.83 2k3y n GLY 11 N -1.40 1.24 0.00 -0.72 0.00 -1.26 -4.30 105.19 98.75 2k3y n GLY 11 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.43 0.28 3.60 -0.02 0.00 -0.07 -5.02 105.19 103.53 2k3y n GLY 12 Ca -0.13 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 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 2.18 0.11 1.61 0.52 -1.26 -4.56 118.95 117.55 2k3y s ARG 13 Ca 0.00 -1.28 0.04 0.00 -0.52 0.00 0.00 55.73 53.97 2k3y s ARG 13 Cb 0.00 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 2k3y s ARG 13 CO 0.00 0.42 -0.11 0.14 0.02 0.00 0.00 175.30 175.77 2k3y s VAL 14 N -1.88 1.03 0.12 3.52 -7.23 -1.14 -0.43 120.40 114.39 2k3y s VAL 14 Ca 0.27 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 2k3y s VAL 14 Cb -0.08 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2k3y s VAL 14 CO 0.17 -0.56 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.48 2k3y s LEU 15 N -2.53 2.38 -0.06 1.32 1.43 0.10 -0.75 118.68 120.57 2k3y s LEU 15 Ca 0.07 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2k3y s LEU 15 Cb -0.03 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.55 2k3y s LEU 15 CO 0.01 -0.08 -0.04 0.00 0.23 0.00 0.00 176.35 176.47 2k3y s ALA 16 N -1.85 0.75 -0.29 4.21 0.00 -0.53 -1.02 121.76 123.02 2k3y s ALA 16 Ca 0.09 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 2k3y s ALA 16 Cb -0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2k3y s ALA 16 CO 0.04 -0.13 0.61 0.12 0.00 0.00 0.00 175.76 176.40 2k3y s PHE 17 N 1.18 3.24 -0.64 0.00 5.36 -0.35 -1.29 117.98 125.48 2k3y s PHE 17 Ca -0.07 0.63 0.23 0.00 -0.96 0.00 0.00 56.93 56.76 2k3y s PHE 17 Cb -0.14 -2.91 -0.00 0.00 -0.34 0.00 0.00 43.02 39.62 2k3y s PHE 17 CO -0.01 -0.41 0.98 0.72 -1.46 0.00 0.00 175.22 175.03 2k3y n HIS 18 N 5.79 0.19 0.00 10.12 8.25 0.38 -4.78 115.22 135.17 2k3y n HIS 18 Ca -0.01 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2k3y n HIS 18 Cb 0.49 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 1.63 0.15 -1.41 0.00 -1.26 -4.85 105.19 100.84 2k3y n GLY 19 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.00 1.61 0.13 -1.96 -3.48 132.00 128.31 2k3y h PRO 20 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 2k3y h PRO 20 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2k3y h PRO 20 CO 0.00 0.55 0.06 -0.11 -0.23 0.00 0.00 178.00 178.27 2k3y n LEU 21 N -3.69 0.00 -3.83 1.56 0.00 -1.26 -4.99 117.00 104.79 2k3y n LEU 21 Ca -0.01 -1.97 -0.12 0.00 0.00 0.00 0.00 56.01 53.91 2k3y n LEU 21 Cb 0.59 2.38 -0.10 0.00 0.00 0.00 0.00 43.42 46.29 2k3y n LEU 21 CO 0.40 -0.56 -0.11 -0.32 0.00 0.00 0.00 177.39 176.80 2k3y s MET 22 N -2.29 0.47 0.27 1.96 -2.45 -1.26 -0.47 119.30 115.52 2k3y s MET 22 Ca 0.16 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.44 2k3y s MET 22 Cb -0.02 0.20 -0.05 0.00 1.25 0.00 0.00 34.83 36.21 2k3y s MET 22 CO 0.12 -0.11 0.10 0.71 1.05 0.00 0.00 175.02 176.89 2k3y s TYR 23 N -1.00 1.57 0.26 4.11 2.02 -0.41 -4.96 117.35 118.94 2k3y s TYR 23 Ca -0.11 -1.19 -0.16 0.00 -0.37 0.00 0.00 57.07 55.24 2k3y s TYR 23 Cb -0.06 -0.92 -0.08 0.00 -0.40 0.00 0.00 41.96 40.50 2k3y s TYR 23 CO 0.02 -0.34 0.69 -1.21 -1.57 0.00 0.00 175.55 173.14 2k3y s GLU 24 N -4.00 4.06 0.16 -0.62 8.01 -1.26 -1.46 118.70 123.60 2k3y s GLU 24 Ca 0.37 0.68 0.00 0.00 0.01 0.00 0.00 54.97 56.03 2k3y s GLU 24 Cb 0.07 -2.66 -0.04 0.00 -4.31 0.00 0.00 34.13 27.19 2k3y s GLU 24 CO 0.14 0.29 0.05 0.00 0.01 0.00 0.00 175.26 175.75 2k3y s ALA 25 N -1.75 1.13 -0.26 5.21 0.00 0.08 -1.03 121.76 125.13 2k3y s ALA 25 Ca 0.48 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2k3y s ALA 25 Cb -0.13 0.83 0.15 0.00 0.00 0.00 0.00 23.12 23.97 2k3y s ALA 25 CO 0.19 -0.44 0.44 0.21 0.00 0.00 0.00 175.76 176.16 2k3y s LYS 26 N -4.02 0.41 0.62 0.00 2.20 -0.59 -2.88 119.74 115.49 2k3y s LYS 26 Ca 0.27 0.59 -0.18 0.00 -0.36 0.00 0.00 55.97 56.29 2k3y s LYS 26 Cb 0.07 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.14 2k3y s LYS 26 CO 0.04 -0.70 0.97 -0.89 -0.36 0.00 0.00 175.35 174.42 2k3y n ILE 27 N 5.38 3.82 0.00 5.43 5.41 -1.26 -1.44 119.36 136.69 2k3y n ILE 27 Ca -0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.23 2k3y n ILE 27 Cb 0.50 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 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 -0.92 0.00 -4.37 1.39 -0.00 -0.67 -4.61 117.00 107.82 2k3y n LEU 28 Ca 0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.85 2k3y n LEU 28 Cb 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.76 2k3y n LEU 28 CO 0.49 0.00 -0.57 -0.54 -0.00 0.00 0.00 177.39 176.77 2k3y s LYS 29 N -1.00 1.62 0.19 1.47 1.02 -1.21 -1.86 119.74 119.97 2k3y s LYS 29 Ca 0.00 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 54.79 2k3y s LYS 29 Cb 0.00 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 2k3y s LYS 29 CO 0.00 0.48 0.02 0.96 -0.92 0.00 0.00 175.35 175.89 2k3y s ILE 30 N -0.92 0.68 0.01 2.17 -0.00 0.04 -0.78 121.20 122.39 2k3y s ILE 30 Ca 0.13 -1.99 -0.07 0.00 -0.00 0.00 0.00 60.65 58.72 2k3y s ILE 30 Cb -0.10 -2.23 0.00 0.00 -0.00 0.00 0.00 42.46 40.13 2k3y s ILE 30 CO 0.04 -0.38 0.14 0.86 -0.00 0.00 0.00 174.94 175.60 2k3y s TRP 31 N -3.66 0.06 -0.12 1.37 -0.11 0.01 -0.93 118.94 115.57 2k3y s TRP 31 Ca 0.27 -0.17 -0.14 0.00 1.22 0.00 0.00 56.10 57.27 2k3y s TRP 31 Cb 0.06 -0.05 0.04 0.00 -1.50 0.00 0.00 33.47 32.01 2k3y s TRP 31 CO 0.06 -0.30 0.38 0.34 -4.62 0.00 0.00 176.95 172.81 2k3y s ASP 32 N -1.49 -0.37 0.00 5.86 -1.08 -1.24 -1.54 116.67 116.81 2k3y s ASP 32 Ca -0.14 0.65 0.17 0.00 -0.52 0.00 0.00 52.55 52.71 2k3y s ASP 32 Cb -0.07 0.70 0.94 0.00 -1.46 0.00 0.00 42.92 43.03 2k3y s ASP 32 CO 0.01 -0.21 1.46 -0.81 0.52 0.00 0.00 175.17 176.14 2k3y n PRO 33 N 2.51 0.39 -0.12 4.34 -0.04 -1.25 -3.27 135.00 137.57 2k3y n PRO 33 Ca -0.15 0.07 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2k3y n PRO 33 Cb 0.57 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.74 0.00 3.54 0.02 -1.93 -3.29 113.55 112.63 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 0.08 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2k3y h SER 34 CO 0.00 0.73 -0.09 -1.20 -1.14 0.00 0.00 176.83 175.13 2k3y n SER 35 N -4.28 0.54 -4.11 3.07 7.64 -1.25 -5.04 113.62 110.18 2k3y n SER 35 Ca 0.04 -1.50 -0.38 0.00 1.01 0.00 0.00 58.87 58.04 2k3y n SER 35 Cb 0.22 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.34 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3y n LYS 36 N -0.19 -0.88 -3.72 1.43 4.01 -1.20 -4.97 118.16 112.65 2k3y n LYS 36 Ca 0.01 0.15 -0.10 0.00 -0.51 0.00 0.00 58.31 57.86 2k3y n LYS 36 Cb 0.49 -3.22 -0.04 0.00 -0.51 0.00 0.00 35.03 31.76 2k3y n LYS 36 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k3y s MET 37 N -7.20 1.37 0.41 1.97 0.23 -1.25 -4.64 119.30 110.18 2k3y s MET 37 Ca 0.28 -0.84 0.08 0.00 -1.03 0.00 0.00 55.69 54.18 2k3y s MET 37 Cb -0.15 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2k3y s MET 37 CO 0.96 -0.58 0.35 1.52 -2.03 0.00 0.00 175.02 175.24 2k3y s TYR 38 N -3.86 2.71 0.07 3.16 1.13 -1.26 -3.65 117.35 115.65 2k3y s TYR 38 Ca 0.09 -0.49 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 2k3y s TYR 38 Cb -0.01 -2.12 -0.03 0.00 -1.10 0.00 0.00 41.96 38.69 2k3y s TYR 38 CO -0.04 -0.07 -0.07 0.95 -2.51 0.00 0.00 175.55 173.82 2k3y s THR 39 N -2.47 0.60 0.04 -3.49 -4.23 -0.10 -4.09 115.64 101.90 2k3y s THR 39 Ca 0.47 -1.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.18 2k3y s THR 39 Cb -0.03 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.60 2k3y s THR 39 CO 0.27 -0.69 0.45 -0.44 -0.54 0.00 0.00 174.62 173.67 2k3y s SER 40 N -2.47 -0.34 0.11 3.99 0.01 -1.26 -0.78 113.70 112.95 2k3y s SER 40 Ca 0.03 0.06 -0.10 0.00 1.31 0.00 0.00 55.95 57.25 2k3y s SER 40 Cb -0.00 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2k3y s SER 40 CO -0.03 -0.68 0.24 0.27 0.41 0.00 0.00 173.24 173.45 2k3y s ILE 41 N -2.44 0.12 -0.58 1.44 -4.36 -0.78 -1.32 121.20 113.28 2k3y s ILE 41 Ca -0.05 -1.11 -0.27 0.00 -0.26 0.00 0.00 60.65 58.96 2k3y s ILE 41 Cb -0.01 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.30 2k3y s ILE 41 CO -0.02 -0.54 1.78 -2.16 0.24 0.00 0.00 174.94 174.24 2k3y s PRO 42 N -3.87 2.80 0.00 0.37 0.04 -0.76 -4.62 135.00 128.96 2k3y s PRO 42 Ca 0.06 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2k3y s PRO 42 Cb 0.04 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2k3y s PRO 42 CO -0.09 -2.53 0.00 -1.71 0.04 0.00 0.00 177.00 172.71 2k3y n ASN 43 N 12.02 0.01 -1.95 6.66 5.15 -1.26 -5.02 115.26 130.87 2k3y n ASN 43 Ca 0.19 -0.59 -0.04 0.00 -0.60 0.00 0.00 54.58 53.54 2k3y n ASN 43 Cb 0.51 0.01 0.02 0.00 -0.53 0.00 0.00 39.78 39.78 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 -0.01 -1.19 -3.18 1.20 2.03 -1.26 -5.04 116.55 109.10 2k3y n ASP 44 Ca 0.00 -1.81 -0.20 0.00 0.52 0.00 0.00 54.79 53.30 2k3y n ASP 44 Cb 0.15 1.98 -0.04 0.00 -0.72 0.00 0.00 41.12 42.49 2k3y n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k3y n LYS 45 N -0.29 1.02 -0.19 -0.67 5.02 -1.26 -3.25 118.16 118.55 2k3y n LYS 45 Ca -0.04 -3.42 0.30 0.00 -2.02 0.00 0.00 58.31 53.12 2k3y n LYS 45 Cb 0.31 -1.61 0.72 0.00 -0.02 0.00 0.00 35.03 34.43 2k3y n LYS 45 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2k3y h PRO 46 N 3.27 0.00 0.00 1.97 0.10 -1.86 -3.46 132.00 132.01 2k3y h PRO 46 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.20 2k3y h PRO 46 Cb 0.92 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.02 2k3y h PRO 46 CO 0.51 0.00 0.00 0.41 0.10 0.00 0.00 178.00 179.02 2k3y n GLY 47 N -1.70 2.91 0.24 -0.55 0.00 -1.26 -4.83 105.19 100.01 2k3y n GLY 47 Ca 0.19 -0.88 0.16 0.00 0.00 0.00 0.00 46.02 45.50 2k3y n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k3y h GLY 48 N 0.00 0.00 -5.87 -0.02 0.00 -2.04 -3.40 103.07 91.74 2k3y h GLY 48 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2k3y h GLY 48 CO 0.00 0.00 -0.75 -0.56 0.00 0.00 0.00 176.54 175.23 2k3y s SER 49 N -5.07 0.50 0.11 0.19 0.01 -1.26 -5.09 113.70 103.09 2k3y s SER 49 Ca 0.01 -0.06 -0.23 0.00 1.31 0.00 0.00 55.95 56.98 2k3y s SER 49 Cb 0.09 -0.16 -0.09 0.00 0.21 0.00 0.00 66.02 66.07 2k3y s SER 49 CO 0.45 -0.02 1.70 0.28 0.41 0.00 0.00 173.24 176.07 2k3y h SER 50 N 6.63 -0.22 -0.35 2.44 0.02 -1.95 -3.36 113.55 116.76 2k3y h SER 50 Ca -0.34 0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 60.41 2k3y h SER 50 Cb 1.17 0.10 -0.31 0.00 0.14 0.00 0.00 62.40 63.50 2k3y h SER 50 CO 0.49 -0.11 -0.82 0.00 -1.14 0.00 0.00 176.83 175.25 2k3y n GLN 51 N -5.20 1.49 -4.24 3.45 10.64 -1.26 -4.66 117.38 117.61 2k3y n GLN 51 Ca -0.05 -2.67 -0.32 0.00 -1.83 0.00 0.00 57.00 52.13 2k3y n GLN 51 Cb 0.12 -0.84 -0.07 0.00 -0.86 0.00 0.00 30.24 28.60 2k3y n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k3y n ALA 52 N -0.79 -1.80 -1.43 2.61 0.00 -1.20 -4.33 120.51 113.55 2k3y n ALA 52 Ca -0.01 -0.30 -0.47 0.00 0.00 0.00 0.00 53.44 52.67 2k3y n ALA 52 Cb 0.83 -1.56 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 2k3y n ALA 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3y n THR 53 N -4.44 0.01 -2.99 0.00 -1.04 -1.26 -1.83 114.28 102.73 2k3y n THR 53 Ca -0.21 -0.08 0.09 0.00 -2.04 0.00 0.00 64.05 61.81 2k3y n THR 53 Cb 0.64 -0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 2k3y n THR 53 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k3y n LYS 54 N 8.24 -1.30 -1.79 -2.82 5.02 -1.26 -4.40 118.16 119.85 2k3y n LYS 54 Ca 0.59 0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 57.31 2k3y n LYS 54 Cb 0.06 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 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 -1.03 3.49 0.17 1.97 2.12 -1.26 -4.00 118.70 120.16 2k3y s GLU 55 Ca 0.00 1.95 -0.30 0.00 0.36 0.00 0.00 54.97 56.98 2k3y s GLU 55 Cb 0.00 -4.23 -0.07 0.00 0.26 0.00 0.00 34.13 30.08 2k3y s GLU 55 CO 0.00 -1.68 0.96 0.42 -0.54 0.00 0.00 175.26 174.42 2k3y s ILE 56 N 6.70 4.29 0.37 -3.70 1.01 -0.43 -5.01 121.20 124.42 2k3y s ILE 56 Ca 0.89 2.06 -0.27 0.00 0.00 0.00 0.00 60.65 63.33 2k3y s ILE 56 Cb -0.31 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.75 2k3y s ILE 56 CO 0.35 0.40 1.24 -0.54 0.00 0.00 0.00 174.94 176.39 2k3y s LYS 57 N -0.54 4.18 0.27 2.79 3.01 -1.26 -4.21 119.74 123.98 2k3y s LYS 57 Ca 0.44 2.04 -0.29 0.00 -1.01 0.00 0.00 55.97 57.15 2k3y s LYS 57 Cb -0.25 -2.87 -0.09 0.00 -1.01 0.00 0.00 37.83 33.61 2k3y s LYS 57 CO 0.31 -0.28 1.17 -1.25 0.51 0.00 0.00 175.35 175.82 2k3y s PRO 58 N -2.04 4.54 0.08 -1.68 0.04 -1.26 -4.93 135.00 129.75 2k3y s PRO 58 Ca 0.53 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2k3y s PRO 58 Cb -0.36 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2k3y s PRO 58 CO 0.46 0.05 -0.05 -0.65 0.04 0.00 0.00 177.00 176.85 2k3y s GLN 59 N -1.20 0.74 -0.09 4.56 -1.52 -1.26 -4.98 119.66 115.90 2k3y s GLN 59 Ca 0.48 -1.28 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 2k3y s GLN 59 Cb -0.34 -0.03 -0.05 0.00 -0.22 0.00 0.00 33.01 32.37 2k3y s GLN 59 CO 0.42 -0.06 1.65 0.15 -0.25 0.00 0.00 175.29 177.21 2k3y s LYS 60 N -3.85 4.08 0.67 2.91 -0.14 -1.26 -4.09 119.74 118.07 2k3y s LYS 60 Ca 0.10 2.08 -0.16 0.00 -1.36 0.00 0.00 55.97 56.63 2k3y s LYS 60 Cb 0.06 -4.00 0.01 0.00 -1.68 0.00 0.00 37.83 32.22 2k3y s LYS 60 CO -0.07 -0.96 1.16 -1.17 -0.76 0.00 0.00 175.35 173.55 2k3y s LEU 61 N 4.35 3.41 0.00 3.17 0.20 -1.26 -4.73 118.68 123.82 2k3y s LEU 61 Ca 0.73 2.19 0.00 0.00 0.69 0.00 0.00 54.13 57.74 2k3y s LEU 61 Cb -0.31 -4.57 0.00 0.00 -0.43 0.00 0.00 46.19 40.87 2k3y s LEU 61 CO 0.29 -1.84 0.00 0.61 -0.29 0.00 0.00 176.35 175.12 2k3y n GLY 62 N -0.02 1.88 0.14 7.98 0.00 -1.26 -5.04 105.19 108.87 2k3y n GLY 62 Ca 0.12 0.00 -0.24 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 0.50 0.00 1.61 5.08 -2.03 -3.45 114.58 116.29 2k3y h GLU 63 Ca 0.00 -0.85 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 2k3y h GLU 63 Cb 0.00 0.32 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k3y h GLU 63 CO 0.00 1.41 0.00 -3.47 -1.00 0.00 0.00 179.01 175.95 2k3y n ASP 64 N -3.77 0.00 -2.35 1.42 2.03 -1.26 -5.01 116.55 107.61 2k3y n ASP 64 Ca -0.17 -0.95 -0.24 0.00 0.52 0.00 0.00 54.79 53.94 2k3y n ASP 64 Cb 1.07 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.48 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 3.32 -0.83 -0.67 0.00 -1.26 -5.08 120.64 116.12 2k3y n GLU 65 Ca 0.00 -4.30 -0.29 0.00 0.00 0.00 0.00 57.16 52.57 2k3y n GLU 65 Cb 0.24 -2.19 -0.02 0.00 0.00 0.00 0.00 31.44 29.47 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 -0.54 -0.67 -3.85 -1.84 7.64 -1.26 -4.72 113.62 108.38 2k3y n SER 66 Ca 0.38 0.67 -0.21 0.00 1.01 0.00 0.00 58.87 60.72 2k3y n SER 66 Cb 0.77 -0.56 -0.17 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.53 0.48 0.82 0.44 -4.36 -1.26 -4.88 121.20 111.91 2k3y s ILE 67 Ca 0.39 -0.05 -0.14 0.00 -0.26 0.00 0.00 60.65 60.60 2k3y s ILE 67 Cb -0.57 -0.55 0.05 0.00 1.25 0.00 0.00 42.46 42.64 2k3y s ILE 67 CO 0.33 0.23 0.86 -2.65 0.24 0.00 0.00 174.94 173.96 2k3y n PRO 68 N 4.38 0.08 0.29 0.37 -0.02 -1.26 -4.75 135.00 134.09 2k3y n PRO 68 Ca -0.20 0.09 0.15 0.00 -2.02 0.00 0.00 63.50 61.53 2k3y n PRO 68 Cb 0.51 -2.16 0.82 0.00 -0.02 0.00 0.00 33.50 32.64 2k3y n PRO 68 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k3y h GLU 69 N -0.96 0.00 -0.06 -0.52 3.07 -2.01 -0.67 114.58 113.44 2k3y h GLU 69 Ca -0.45 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.36 2k3y h GLU 69 Cb 1.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 2k3y h GLU 69 CO 0.42 0.00 -0.17 0.93 -1.40 0.00 0.00 179.01 178.80 2k3y h GLU 70 N 0.00 0.10 0.00 2.33 4.39 -2.00 -3.16 114.58 116.23 2k3y h GLU 70 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k3y h GLU 70 Cb 0.40 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2k3y h GLU 70 CO 0.00 0.27 0.00 0.44 -1.16 0.00 0.00 179.01 178.56 2k3y n ILE 71 N -4.30 0.00 0.02 3.13 -5.35 -0.31 -4.46 119.36 108.10 2k3y n ILE 71 Ca -0.02 -0.47 -0.12 0.00 -0.27 0.00 0.00 62.75 61.87 2k3y n ILE 71 Cb 0.26 1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 39.10 2k3y n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3y h ILE 72 N 0.00 1.02 0.00 7.28 1.08 -1.50 -3.07 117.51 122.32 2k3y h ILE 72 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2k3y h ILE 72 Cb 0.00 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2k3y h ILE 72 CO 0.00 0.02 0.00 0.59 -0.69 0.00 0.00 178.15 178.07 2k3y n ASN 73 N -5.05 0.00 -2.73 1.72 3.02 -1.20 -3.79 115.26 107.23 2k3y n ASN 73 Ca -0.06 -1.69 -0.12 0.00 -0.03 0.00 0.00 54.58 52.67 2k3y n ASN 73 Cb 0.03 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.43 2.10 3.76 7.41 0.00 -1.16 -4.80 105.19 112.93 2k3y n GLY 74 Ca 0.02 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.63 4.21 0.03 1.61 -0.14 -1.26 -4.19 119.74 117.38 2k3y s LYS 75 Ca 0.24 2.41 0.00 0.00 -1.36 0.00 0.00 55.97 57.27 2k3y s LYS 75 Cb -0.01 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 33.06 2k3y s LYS 75 CO 0.17 -0.46 -0.04 -1.12 -0.76 0.00 0.00 175.35 173.15 2k3y s SER 76 N 0.15 0.40 -0.14 2.83 0.01 -0.59 -3.49 113.70 112.88 2k3y s SER 76 Ca 0.57 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 57.17 2k3y s SER 76 Cb -0.44 0.11 0.06 0.00 0.21 0.00 0.00 66.02 65.96 2k3y s SER 76 CO 0.50 -0.35 0.10 -0.36 0.41 0.00 0.00 173.24 173.54 2k3y s PHE 77 N -2.03 0.08 -0.01 2.43 0.08 -0.94 -0.81 117.98 116.78 2k3y s PHE 77 Ca -0.10 -0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.61 2k3y s PHE 77 Cb -0.06 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 2k3y s PHE 77 CO -0.03 -0.42 1.02 0.12 -0.10 0.00 0.00 175.22 175.81 2k3y s PHE 78 N 2.18 3.59 0.04 0.36 5.36 0.04 -1.65 117.98 127.90 2k3y s PHE 78 Ca 0.03 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 2k3y s PHE 78 Cb -0.15 -3.18 -0.03 0.00 -0.34 0.00 0.00 43.02 39.33 2k3y s PHE 78 CO -0.08 -0.25 -0.04 0.96 -1.46 0.00 0.00 175.22 174.36 2k3y s ILE 79 N 1.24 0.24 -0.25 3.12 -4.36 -0.75 -1.67 121.20 118.76 2k3y s ILE 79 Ca 0.52 -1.29 -0.14 0.00 -0.26 0.00 0.00 60.65 59.48 2k3y s ILE 79 Cb -0.22 -0.81 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 2k3y s ILE 79 CO 0.26 -0.67 0.33 -2.28 0.24 0.00 0.00 174.94 172.82 2k3y s HIS 80 N -2.39 3.27 -0.30 1.37 5.65 -0.52 -3.51 115.29 118.86 2k3y s HIS 80 Ca -0.06 0.40 -0.29 0.00 0.25 0.00 0.00 55.06 55.36 2k3y s HIS 80 Cb -0.03 -2.51 -0.01 0.00 -1.18 0.00 0.00 32.58 28.85 2k3y s HIS 80 CO -0.04 -0.15 1.58 0.71 -0.65 0.00 0.00 174.74 176.19 2k3y s TYR 81 N 1.78 2.17 0.42 3.88 2.02 -1.26 -1.53 117.35 124.83 2k3y s TYR 81 Ca 0.14 0.63 -0.21 0.00 -0.37 0.00 0.00 57.07 57.25 2k3y s TYR 81 Cb -0.15 -4.08 -0.11 0.00 -0.40 0.00 0.00 41.96 37.22 2k3y s TYR 81 CO 0.09 -2.59 0.95 -0.65 -1.57 0.00 0.00 175.55 171.78 2k3y s GLN 82 N 4.90 4.24 0.00 -0.62 -0.21 -0.19 -2.57 119.66 125.21 2k3y s GLN 82 Ca 0.69 1.15 0.00 0.00 0.02 0.00 0.00 55.36 57.23 2k3y s GLN 82 Cb -0.21 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.56 2k3y s GLN 82 CO 0.30 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 2k3y n GLY 83 N -0.50 0.35 3.40 3.09 0.00 -1.26 -4.39 105.19 105.87 2k3y n GLY 83 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.89 1.72 0.71 1.61 0.52 -1.06 -5.15 118.94 115.39 2k3y s TRP 84 Ca 0.00 -1.18 -0.12 0.00 0.02 0.00 0.00 56.10 54.82 2k3y s TRP 84 Cb 0.00 -1.05 0.02 0.00 -1.15 0.00 0.00 33.47 31.30 2k3y s TRP 84 CO 0.00 -0.28 1.08 0.15 0.02 0.00 0.00 176.95 177.92 2k3y s LYS 85 N -3.88 2.68 0.17 4.98 1.02 -1.26 -4.86 119.74 118.58 2k3y s LYS 85 Ca 0.34 1.13 0.22 0.00 0.02 0.00 0.00 55.97 57.68 2k3y s LYS 85 Cb 0.06 -1.95 0.88 0.00 -0.52 0.00 0.00 37.83 36.30 2k3y s LYS 85 CO 0.15 -1.31 1.66 0.43 -0.92 0.00 0.00 175.35 175.36 2k3y n SER 86 N -3.08 0.46 -0.18 2.83 7.64 -1.26 -3.12 113.62 116.92 2k3y n SER 86 Ca 0.09 0.60 0.14 0.00 1.01 0.00 0.00 58.87 60.70 2k3y n SER 86 Cb 0.53 -0.70 0.47 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.00 0.46 -0.21 6.43 0.02 -1.99 -2.38 113.55 115.88 2k3y h SER 87 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2k3y h SER 87 Cb 0.38 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k3y h SER 87 CO 0.00 0.25 0.00 0.79 -1.14 0.00 0.00 176.83 176.73 2k3y n TRP 88 N -4.49 0.28 -1.93 3.45 7.02 -1.18 -4.90 117.44 115.68 2k3y n TRP 88 Ca 0.14 -0.14 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 2k3y n TRP 88 Cb 0.48 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.34 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 -1.21 6.48 0.24 -0.99 1.11 -0.90 -4.76 116.67 116.64 2k3y s ASP 89 Ca 0.22 2.17 -0.17 0.00 0.18 0.00 0.00 52.55 54.96 2k3y s ASP 89 Cb 0.12 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.59 2k3y s ASP 89 CO 0.17 -1.10 0.57 -0.70 1.18 0.00 0.00 175.17 175.29 2k3y s GLU 90 N 4.42 1.58 0.07 8.23 2.56 -1.23 -5.00 118.70 129.34 2k3y s GLU 90 Ca 0.78 -1.05 0.01 0.00 0.00 0.00 0.00 54.97 54.72 2k3y s GLU 90 Cb -0.33 0.53 -0.04 0.00 2.00 0.00 0.00 34.13 36.29 2k3y s GLU 90 CO 0.32 -0.69 0.16 -1.58 -0.56 0.00 0.00 175.26 172.91 2k3y s TRP 91 N -3.94 3.38 0.14 5.30 0.52 -1.26 -1.82 118.94 121.27 2k3y s TRP 91 Ca 0.15 0.18 0.09 0.00 0.02 0.00 0.00 56.10 56.53 2k3y s TRP 91 Cb -0.03 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 2k3y s TRP 91 CO 0.05 0.56 -0.20 0.14 0.02 0.00 0.00 176.95 177.52 2k3y s VAL 92 N -1.46 1.82 0.43 4.03 -7.23 -0.66 -4.92 120.40 112.42 2k3y s VAL 92 Ca 0.33 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.63 2k3y s VAL 92 Cb -0.13 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2k3y s VAL 92 CO 0.25 -0.21 0.74 -0.83 -0.31 0.00 0.00 175.10 174.75 2k3y s GLY 93 N -2.40 1.66 0.00 2.32 0.00 -1.26 -2.22 107.32 105.42 2k3y s GLY 93 Ca 0.13 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.43 2k3y s GLY 93 CO 0.06 -0.28 0.64 2.98 0.00 0.00 0.00 173.10 176.50 2k3y n TYR 94 N -1.80 0.00 0.11 1.90 9.36 -1.23 -0.98 117.16 124.53 2k3y n TYR 94 Ca 0.01 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 2k3y n TYR 94 Cb 0.55 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.27 2k3y n TYR 94 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2k3y h ASP 95 N 0.00 0.00 0.00 2.98 3.58 -1.93 -3.41 116.42 117.64 2k3y h ASP 95 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2k3y h ASP 95 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2k3y h ASP 95 CO 0.00 0.10 -1.20 0.54 -2.88 0.00 0.00 179.24 175.81 2k3y n ARG 96 N -2.79 1.23 -3.87 0.28 1.74 -0.15 -4.99 116.66 108.11 2k3y n ARG 96 Ca -0.01 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2k3y n ARG 96 Cb 0.60 -1.07 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 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 -2.07 5.33 -0.01 0.55 2.07 -0.67 -1.22 121.20 125.19 2k3y s ILE 97 Ca -0.04 -0.36 -0.04 0.00 -1.41 0.00 0.00 60.65 58.80 2k3y s ILE 97 Cb 0.01 -3.65 -0.00 0.00 0.13 0.00 0.00 42.46 38.95 2k3y s ILE 97 CO 0.09 0.07 0.07 -0.13 -1.91 0.00 0.00 174.94 173.14 2k3y s ARG 98 N -2.69 0.30 0.62 3.50 0.52 -0.19 -4.48 118.95 116.52 2k3y s ARG 98 Ca 0.36 -0.26 -0.18 0.00 -0.52 0.00 0.00 55.73 55.13 2k3y s ARG 98 Cb -0.12 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.44 2k3y s ARG 98 CO 0.28 -0.06 1.19 0.00 0.02 0.00 0.00 175.30 176.72 2k3y s ALA 99 N -0.87 2.48 0.09 2.13 0.00 -1.26 -0.73 121.76 123.60 2k3y s ALA 99 Ca -0.10 0.91 -0.31 0.00 0.00 0.00 0.00 51.96 52.46 2k3y s ALA 99 Cb -0.06 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 2k3y s ALA 99 CO 0.00 -1.25 1.88 0.98 0.00 0.00 0.00 175.76 177.38 2k3y n TYR 100 N -1.85 2.58 -3.80 0.00 4.19 0.42 -4.79 117.16 113.90 2k3y n TYR 100 Ca 0.13 -0.21 -0.12 0.00 3.31 0.00 0.00 57.90 61.01 2k3y n TYR 100 Cb 0.50 -2.75 -0.09 0.00 0.49 0.00 0.00 39.34 37.49 2k3y n TYR 100 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 2k3y s ASN 101 N 3.32 -0.09 0.49 2.98 0.01 -1.26 -4.64 114.94 115.75 2k3y s ASN 101 Ca 0.85 -0.10 0.19 0.00 -0.71 0.00 0.00 52.86 53.08 2k3y s ASN 101 Cb -0.48 0.28 1.23 0.00 0.41 0.00 0.00 41.25 42.70 2k3y s ASN 101 CO 0.39 -0.46 2.07 -0.33 -1.51 0.00 0.00 177.10 177.26 2k3y h GLU 102 N 3.83 0.00 -0.42 -0.60 5.08 -1.99 -1.27 114.58 119.21 2k3y h GLU 102 Ca -0.31 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2k3y h GLU 102 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2k3y h GLU 102 CO 0.42 0.11 0.11 1.49 -1.00 0.00 0.00 179.01 180.15 2k3y h GLU 103 N 0.00 0.67 -0.47 2.33 4.81 -1.96 0.22 114.58 120.18 2k3y h GLU 103 Ca -0.00 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 2k3y h GLU 103 Cb 0.22 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2k3y h GLU 103 CO 0.01 0.67 -0.03 -0.91 -0.73 0.00 0.00 179.01 178.03 2k3y h ASN 104 N 0.55 0.77 0.14 1.04 2.35 -1.63 -1.50 115.58 117.31 2k3y h ASN 104 Ca 0.13 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 2k3y h ASN 104 Cb 0.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2k3y h ASN 104 CO -0.00 0.86 -0.44 0.40 -1.65 0.00 0.00 177.43 176.59 2k3y h ILE 105 N 0.74 1.32 -0.66 2.81 1.08 -0.92 0.26 117.51 122.14 2k3y h ILE 105 Ca 0.14 -1.61 -0.02 0.00 -0.39 0.00 0.00 64.86 62.97 2k3y h ILE 105 Cb 0.49 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 2k3y h ILE 105 CO 0.02 0.49 0.33 0.00 -0.69 0.00 0.00 178.15 178.31 2k3y h ALA 106 N 1.23 0.85 -0.29 1.87 0.00 -0.46 0.15 119.26 122.61 2k3y h ALA 106 Ca 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k3y h ALA 106 Cb 0.90 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k3y h ALA 106 CO 0.07 0.40 0.16 1.98 0.00 0.00 0.00 179.25 181.87 2k3y h MET 107 N 0.91 0.33 -0.20 0.00 1.85 -0.83 -1.67 114.93 115.32 2k3y h MET 107 Ca 0.23 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.30 2k3y h MET 107 Cb 0.10 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 2k3y h MET 107 CO -0.03 0.22 0.13 -0.22 -0.40 0.00 0.00 176.91 176.61 2k3y h LYS 108 N 0.34 0.26 -0.18 0.39 3.64 0.34 -0.54 116.57 120.82 2k3y h LYS 108 Ca 0.11 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2k3y h LYS 108 Cb 0.01 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2k3y h LYS 108 CO -0.06 0.17 -0.27 1.57 -2.27 0.00 0.00 179.45 178.60 2k3y h LYS 109 N 0.27 0.50 -0.45 1.90 2.10 -0.68 0.22 116.57 120.43 2k3y h LYS 109 Ca 0.07 -0.30 0.13 0.00 -2.00 0.00 0.00 60.65 58.56 2k3y h LYS 109 Cb -0.03 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2k3y h LYS 109 CO -0.02 0.89 0.39 -0.09 -2.00 0.00 0.00 179.45 178.63 2k3y h ARG 110 N 0.15 0.00 0.03 0.07 1.12 -1.05 0.10 114.38 114.80 2k3y h ARG 110 Ca 0.02 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.54 2k3y h ARG 110 Cb 0.85 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.76 2k3y h ARG 110 CO 0.06 0.00 -1.98 1.28 -3.11 0.00 0.00 179.97 176.22 2k3y n LEU 111 N -4.01 2.30 -0.14 3.80 4.77 -0.23 -4.05 117.00 119.43 2k3y n LEU 111 Ca 0.08 0.24 0.28 0.00 -0.03 0.00 0.00 56.01 56.58 2k3y n LEU 111 Cb 0.59 -0.97 0.72 0.00 -2.33 0.00 0.00 43.42 41.43 2k3y n LEU 111 CO 0.32 0.62 1.25 0.00 -1.33 0.00 0.00 177.39 178.25 2k3y h ALA 112 N -0.36 2.75 -0.82 -1.18 0.00 -0.45 0.09 119.26 119.28 2k3y h ALA 112 Ca -0.49 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.43 2k3y h ALA 112 Cb 1.69 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 2k3y h ALA 112 CO -0.16 -1.07 0.52 -0.97 0.00 0.00 0.00 179.25 177.57 2k3y h ASN 113 N 0.00 0.85 0.00 0.00 -1.24 -1.11 -3.26 115.58 110.82 2k3y h ASN 113 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.41 2k3y h ASN 113 Cb 1.67 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.54 2k3y h ASN 113 CO -0.00 0.57 -1.23 -1.84 -1.29 0.00 0.00 177.43 173.64 2k3y n GLU 114 N -4.60 0.86 -1.71 6.67 0.28 -0.11 -5.01 120.64 117.01 2k3y n GLU 114 Ca 0.10 -0.06 -0.59 0.00 -0.16 0.00 0.00 57.16 56.45 2k3y n GLU 114 Cb 0.11 -1.39 -0.08 0.00 1.43 0.00 0.00 31.44 31.52 2k3y n GLU 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3y n ALA 115 N -1.70 -0.33 -3.60 -1.84 0.00 -0.46 -4.96 120.51 107.63 2k3y n ALA 115 Ca 0.01 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.81 2k3y n ALA 115 Cb 0.36 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2k3y n ALA 115 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k3y s GLY 116 N 3.58 -0.34 -1.14 0.00 0.00 -1.26 -5.03 107.32 103.12 2k3y s GLY 116 Ca 1.00 1.19 -0.21 0.00 0.00 0.00 0.00 44.72 46.70 2k3y s GLY 116 CO 0.68 0.36 1.62 -0.56 0.00 0.00 0.00 173.10 175.20 2k3y s SER 117 N -2.48 6.51 0.34 1.64 0.01 -1.26 -4.06 113.70 114.38 2k3y s SER 117 Ca 0.10 -1.85 0.03 0.00 1.31 0.00 0.00 55.95 55.55 2k3y s SER 117 Cb 0.01 -2.57 0.63 0.00 0.21 0.00 0.00 66.02 64.29 2k3y s SER 117 CO -0.04 -1.50 1.96 0.71 0.41 0.00 0.00 173.24 174.77 2k3y h THR 118 N 6.27 1.09 0.00 1.44 1.35 -1.91 -3.46 112.91 117.68 2k3y h THR 118 Ca 0.30 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2k3y h THR 118 Cb 0.95 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2k3y h THR 118 CO 1.42 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 177.46 2k3y n GLY 119 N -1.43 1.01 2.07 5.82 0.00 -0.78 -4.72 105.19 107.16 2k3y n GLY 119 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 2.02 5.15 -4.00 1.61 7.64 -1.26 -4.80 113.62 119.99 2k3y n SER 120 Ca 0.00 -2.42 -0.10 0.00 1.01 0.00 0.00 58.87 57.37 2k3y n SER 120 Cb 0.00 -1.33 -0.08 0.00 -1.01 0.00 0.00 64.21 61.80 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 1.27 0.18 -1.70 -0.43 0.00 -1.26 -5.04 121.76 114.77 2k3y s ALA 121 Ca 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2k3y s ALA 121 Cb 0.28 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.26 2k3y s ALA 121 CO -0.01 -0.61 0.53 -0.35 0.00 0.00 0.00 175.76 175.33 2k3y n PRO 122 N -0.19 0.63 -4.02 0.00 -0.04 -1.26 -4.68 135.00 125.44 2k3y n PRO 122 Ca -0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.29 2k3y n PRO 122 Cb 0.63 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.93 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3y s ALA 123 N -1.70 0.04 0.53 0.55 0.00 -1.26 -5.05 121.76 114.87 2k3y s ALA 123 Ca 0.00 -1.01 0.19 0.00 0.00 0.00 0.00 51.96 51.13 2k3y s ALA 123 Cb 0.00 1.09 1.38 0.00 0.00 0.00 0.00 23.12 25.59 2k3y s ALA 123 CO 0.00 -0.77 2.17 1.79 0.00 0.00 0.00 175.76 178.95 2k3y h THR 124 N 2.37 0.91 0.00 0.00 1.35 -1.87 -3.40 112.91 112.26 2k3y h THR 124 Ca -0.29 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2k3y h THR 124 Cb 1.25 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2k3y h THR 124 CO 0.41 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 2k3y n GLY 125 N -1.48 -1.80 1.65 5.82 0.00 -1.26 -1.87 105.19 106.24 2k3y n GLY 125 Ca -0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.29 2.41 0.00 -0.02 0.00 -1.26 -4.94 105.19 101.09 2k3y n GLY 126 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k3y n GLY 126 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k3y n VAL 127 N 1.75 0.00 0.00 1.61 0.31 -1.26 -4.39 118.33 116.35 2k3y n VAL 127 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2k3y n VAL 127 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k3y n LYS 129 N 0.00 0.00 0.00 5.55 5.02 -1.26 -4.94 118.16 122.53 2k3y n LYS 129 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2k3y n LYS 129 Cb 0.00 0.00 0.66 0.00 -0.02 0.00 0.00 35.03 35.67 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k3y n PRO 130 N -0.37 0.39 -0.70 1.97 -0.05 -1.26 -4.82 135.00 130.16 2k3y n PRO 130 Ca 0.00 0.04 -0.32 0.00 -0.05 0.00 0.00 63.50 63.17 2k3y n PRO 130 Cb 0.00 -1.50 0.16 0.00 -0.05 0.00 0.00 33.50 32.11 2k3y n PRO 130 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 175.50 177.03 2k3y n HIS 131 N -1.27 -0.60 0.00 0.54 -0.00 -1.26 -3.59 115.22 109.04 2k3y n HIS 131 Ca 0.13 0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.54 2k3y n HIS 131 Cb 0.20 -1.83 0.00 0.00 -0.12 0.00 0.00 29.99 28.25 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 -3.06 0.00 -1.05 1.57 1.74 -1.26 -4.94 116.66 109.65 2k3y n ARG 132 Ca 0.07 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 2k3y n ARG 132 Cb 0.54 -1.80 0.13 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.00 2.20 0.00 -1.55 2.02 -1.24 -5.26 117.35 113.52 2k3y s TYR 133 Ca 0.00 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.26 2k3y s TYR 133 Cb 0.00 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 2k3y s TYR 133 CO 0.00 -2.28 0.00 -2.13 -1.57 0.00 0.00 175.55 169.57