#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 0.22 0.00 2.03 -7.23 -1.26 -5.06 120.40 109.10 2k3y s VAL 2 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2k3y s VAL 2 Cb 0.00 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.56 2k3y s VAL 2 CO 0.00 -0.94 0.00 -0.67 -0.31 0.00 0.00 175.10 173.18 2k3y n ASP 3 N 0.27 0.00 0.03 4.85 2.03 -1.26 -4.95 116.55 117.52 2k3y n ASP 3 Ca -0.15 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.37 2k3y n ASP 3 Cb 0.60 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.73 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 -2.21 -2.67 5.85 -1.97 -2.09 115.31 112.23 2k3y h LEU 4 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2k3y h LEU 4 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k3y h LEU 4 CO 0.00 0.00 0.06 1.05 -0.34 0.00 0.00 178.44 179.21 2k3y h GLU 5 N 0.00 0.00 0.00 1.25 4.11 -1.93 -1.79 114.58 116.22 2k3y h GLU 5 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 2k3y h GLU 5 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2k3y h GLU 5 CO -0.00 0.00 -0.38 0.37 0.07 0.00 0.00 179.01 179.07 2k3y h GLN 6 N 0.00 0.00 -7.26 1.06 4.15 -1.59 -3.41 115.11 108.06 2k3y h GLN 6 Ca 0.03 0.00 -0.48 0.00 0.77 0.00 0.00 58.65 58.97 2k3y h GLN 6 Cb 0.16 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.92 2k3y h GLN 6 CO -0.00 0.00 0.27 -1.21 -1.93 0.00 0.00 178.83 175.96 2k3y s GLU 7 N -3.20 2.89 0.12 1.69 2.02 -0.67 -4.54 118.70 117.01 2k3y s GLU 7 Ca 0.06 0.18 -0.32 0.00 0.02 0.00 0.00 54.97 54.92 2k3y s GLU 7 Cb 0.10 -2.17 -0.11 0.00 0.10 0.00 0.00 34.13 32.05 2k3y s GLU 7 CO 0.69 -0.84 1.80 1.97 0.02 0.00 0.00 175.26 178.89 2k3y n PHE 8 N -2.76 2.58 -4.98 1.61 -1.74 -1.26 -4.74 117.46 106.17 2k3y n PHE 8 Ca 0.05 -0.06 -0.31 0.00 -0.56 0.00 0.00 57.45 56.57 2k3y n PHE 8 Cb 0.57 -2.70 -0.17 0.00 1.52 0.00 0.00 39.48 38.71 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 2.40 2.01 -1.69 1.98 0.00 -1.26 -5.01 121.76 120.18 2k3y s ALA 9 Ca 0.81 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2k3y s ALA 9 Cb -0.52 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2k3y s ALA 9 CO 0.38 0.19 0.59 1.28 0.00 0.00 0.00 175.76 178.19 2k3y n LEU 10 N 3.70 0.00 -1.40 0.00 4.77 -1.26 -1.08 117.00 121.74 2k3y n LEU 10 Ca -0.20 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 55.84 2k3y n LEU 10 Cb 0.52 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2k3y n LEU 10 CO 0.27 -0.11 0.41 0.61 -1.33 0.00 0.00 177.39 177.24 2k3y n GLY 11 N -1.09 0.83 0.00 -0.72 0.00 -1.26 -4.48 105.19 98.46 2k3y n GLY 11 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.38 -0.32 3.70 -0.02 0.00 -0.24 -5.02 105.19 102.91 2k3y n GLY 12 Ca -0.24 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 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 0.01 2.53 0.20 1.61 0.52 -1.26 -4.50 118.95 118.06 2k3y s ARG 13 Ca 0.00 -1.04 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 2k3y s ARG 13 Cb 0.00 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.99 2k3y s ARG 13 CO 0.00 0.46 -0.08 0.14 0.02 0.00 0.00 175.30 175.84 2k3y s VAL 14 N -1.72 1.37 -0.02 3.52 -7.23 -0.55 -0.62 120.40 115.14 2k3y s VAL 14 Ca 0.28 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2k3y s VAL 14 Cb -0.10 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.76 2k3y s VAL 14 CO 0.20 -0.54 0.02 -0.76 -0.31 0.00 0.00 175.10 173.71 2k3y s LEU 15 N -3.28 1.15 -0.03 1.32 1.43 0.87 -0.62 118.68 119.53 2k3y s LEU 15 Ca 0.23 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2k3y s LEU 15 Cb 0.03 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.10 2k3y s LEU 15 CO 0.06 -0.11 -0.25 0.00 0.23 0.00 0.00 176.35 176.28 2k3y s ALA 16 N 1.01 2.22 -0.29 4.21 0.00 -0.62 -0.96 121.76 127.33 2k3y s ALA 16 Ca -0.09 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 2k3y s ALA 16 Cb -0.13 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.39 2k3y s ALA 16 CO -0.02 0.53 0.08 0.12 0.00 0.00 0.00 175.76 176.46 2k3y s PHE 17 N -0.60 3.14 -0.95 0.00 5.36 -0.82 -1.30 117.98 122.81 2k3y s PHE 17 Ca 0.09 -0.93 0.22 0.00 -0.96 0.00 0.00 56.93 55.36 2k3y s PHE 17 Cb -0.10 -2.25 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 2k3y s PHE 17 CO -0.01 -0.56 1.07 0.72 -1.46 0.00 0.00 175.22 174.98 2k3y n HIS 18 N 4.87 0.02 0.00 10.12 8.25 0.07 -4.84 115.22 133.71 2k3y n HIS 18 Ca -0.15 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2k3y n HIS 18 Cb 0.48 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 1.49 1.48 0.16 -1.41 0.00 -1.26 -4.85 105.19 100.79 2k3y n GLY 19 Ca 0.04 -0.35 -0.00 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 0.02 0.00 1.61 0.13 -1.95 -3.48 132.00 128.33 2k3y h PRO 20 Ca 0.00 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.98 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 0.55 0.05 -0.11 -0.23 0.00 0.00 178.00 178.26 2k3y n LEU 21 N -3.91 0.00 -4.05 1.56 0.00 -1.26 -5.02 117.00 104.31 2k3y n LEU 21 Ca -0.01 -2.36 -0.09 0.00 0.00 0.00 0.00 56.01 53.55 2k3y n LEU 21 Cb 0.54 2.74 -0.11 0.00 0.00 0.00 0.00 43.42 46.59 2k3y n LEU 21 CO 0.41 -0.65 -0.37 -0.32 0.00 0.00 0.00 177.39 176.46 2k3y s MET 22 N -2.40 0.51 0.19 1.96 -2.45 -1.26 -0.75 119.30 115.09 2k3y s MET 22 Ca 0.20 -0.95 -0.00 0.00 -1.25 0.00 0.00 55.69 53.69 2k3y s MET 22 Cb -0.02 0.08 -0.04 0.00 1.25 0.00 0.00 34.83 36.09 2k3y s MET 22 CO 0.14 -0.06 0.08 0.71 1.05 0.00 0.00 175.02 176.94 2k3y s TYR 23 N -2.69 1.16 0.34 4.11 2.02 -0.42 -4.98 117.35 116.90 2k3y s TYR 23 Ca -0.03 -1.24 -0.26 0.00 -0.37 0.00 0.00 57.07 55.17 2k3y s TYR 23 Cb -0.01 -0.63 -0.10 0.00 -0.40 0.00 0.00 41.96 40.83 2k3y s TYR 23 CO -0.05 -0.47 0.99 -1.21 -1.57 0.00 0.00 175.55 173.24 2k3y s GLU 24 N -4.06 4.46 0.07 -0.62 8.01 -1.26 -1.59 118.70 123.71 2k3y s GLU 24 Ca 0.32 1.42 0.01 0.00 0.01 0.00 0.00 54.97 56.73 2k3y s GLU 24 Cb 0.07 -2.75 -0.03 0.00 -4.31 0.00 0.00 34.13 27.11 2k3y s GLU 24 CO 0.08 0.15 -0.06 0.00 0.01 0.00 0.00 175.26 175.44 2k3y s ALA 25 N -1.60 0.72 -0.26 5.21 0.00 0.21 -1.29 121.76 124.75 2k3y s ALA 25 Ca 0.52 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 2k3y s ALA 25 Cb -0.20 0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.19 2k3y s ALA 25 CO 0.26 -0.19 0.30 0.21 0.00 0.00 0.00 175.76 176.33 2k3y s LYS 26 N -3.04 0.30 0.60 0.00 2.20 -0.69 -1.49 119.74 117.63 2k3y s LYS 26 Ca 0.03 0.04 -0.20 0.00 -0.36 0.00 0.00 55.97 55.48 2k3y s LYS 26 Cb 0.00 -0.74 -0.03 0.00 -1.51 0.00 0.00 37.83 35.56 2k3y s LYS 26 CO -0.04 -0.89 1.34 0.42 -0.36 0.00 0.00 175.35 175.81 2k3y s ILE 27 N 2.39 2.01 0.00 5.43 1.01 -1.26 -1.49 121.20 129.29 2k3y s ILE 27 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2k3y s ILE 27 Cb -0.14 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2k3y s ILE 27 CO -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 174.94 174.68 2k3y n LEU 28 N -1.48 0.00 -4.21 2.97 -0.00 -0.78 -4.55 117.00 108.95 2k3y n LEU 28 Ca 0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.88 2k3y n LEU 28 Cb 0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.73 2k3y n LEU 28 CO 0.50 0.00 -0.52 -0.75 -0.00 0.00 0.00 177.39 176.62 2k3y s LYS 29 N 0.00 1.64 0.07 1.47 2.20 -1.22 -2.53 119.74 121.37 2k3y s LYS 29 Ca 0.00 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 2k3y s LYS 29 Cb 0.00 -1.58 -0.03 0.00 -1.51 0.00 0.00 37.83 34.70 2k3y s LYS 29 CO 0.00 0.43 0.02 0.96 -0.36 0.00 0.00 175.35 176.40 2k3y s ILE 30 N -0.46 0.19 0.01 5.43 -4.36 0.10 -0.35 121.20 121.76 2k3y s ILE 30 Ca 0.07 -1.74 -0.14 0.00 -0.26 0.00 0.00 60.65 58.58 2k3y s ILE 30 Cb -0.08 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 42.05 2k3y s ILE 30 CO -0.01 -0.84 0.29 0.86 0.24 0.00 0.00 174.94 175.48 2k3y s TRP 31 N -3.94 -0.13 -0.10 1.37 -0.11 0.07 -1.63 118.94 114.48 2k3y s TRP 31 Ca 0.10 0.09 -0.09 0.00 1.22 0.00 0.00 56.10 57.43 2k3y s TRP 31 Cb 0.07 0.08 0.03 0.00 -1.50 0.00 0.00 33.47 32.15 2k3y s TRP 31 CO -0.08 -0.44 0.26 0.34 -4.62 0.00 0.00 176.95 172.42 2k3y s ASP 32 N -1.69 -0.27 0.00 5.86 -1.08 -1.26 -1.57 116.67 116.66 2k3y s ASP 32 Ca -0.09 0.53 0.10 0.00 -0.52 0.00 0.00 52.55 52.57 2k3y s ASP 32 Cb -0.03 0.53 0.45 0.00 -1.46 0.00 0.00 42.92 42.41 2k3y s ASP 32 CO 0.00 -0.09 1.33 -0.81 0.52 0.00 0.00 175.17 176.12 2k3y n PRO 33 N 3.00 0.01 0.15 4.34 -0.04 -1.25 -2.09 135.00 139.11 2k3y n PRO 33 Ca -0.13 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2k3y n PRO 33 Cb 0.58 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.09 0.00 3.54 0.02 -1.95 -3.20 113.55 112.06 2k3y h SER 34 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2k3y h SER 34 Cb 0.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2k3y h SER 34 CO 0.00 0.50 -0.57 -1.20 -1.14 0.00 0.00 176.83 174.42 2k3y n SER 35 N -4.04 2.83 -3.97 3.07 7.64 -1.24 -5.02 113.62 112.89 2k3y n SER 35 Ca -0.02 -0.21 -0.27 0.00 1.01 0.00 0.00 58.87 59.38 2k3y n SER 35 Cb 0.45 0.99 -0.01 0.00 -1.01 0.00 0.00 64.21 64.64 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 -1.28 -3.69 -3.84 1.43 5.02 -0.89 -4.99 118.16 109.92 2k3y n LYS 36 Ca 0.00 0.44 -0.12 0.00 -2.02 0.00 0.00 58.31 56.62 2k3y n LYS 36 Cb 0.00 -4.81 -0.10 0.00 -0.02 0.00 0.00 35.03 30.11 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 -6.56 0.49 0.53 1.97 -1.94 -1.26 -4.79 119.30 107.74 2k3y s MET 37 Ca 0.20 -0.27 0.08 0.00 -1.71 0.00 0.00 55.69 53.99 2k3y s MET 37 Cb -0.11 0.21 0.06 0.00 2.01 0.00 0.00 34.83 37.00 2k3y s MET 37 CO 0.88 -0.12 0.73 1.52 -0.01 0.00 0.00 175.02 178.02 2k3y s TYR 38 N -1.19 2.03 0.06 -0.03 1.13 -1.26 -4.17 117.35 113.93 2k3y s TYR 38 Ca -0.13 -0.52 -0.04 0.00 -1.41 0.00 0.00 57.07 54.98 2k3y s TYR 38 Cb -0.06 -2.38 -0.03 0.00 -1.10 0.00 0.00 41.96 38.39 2k3y s TYR 38 CO 0.02 -0.92 0.04 0.95 -2.51 0.00 0.00 175.55 173.13 2k3y s THR 39 N -2.60 0.19 0.16 -3.49 -4.23 -0.65 -4.05 115.64 100.98 2k3y s THR 39 Ca 0.59 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.41 2k3y s THR 39 Cb -0.08 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 2k3y s THR 39 CO 0.37 -0.88 0.27 -0.44 -0.54 0.00 0.00 174.62 173.40 2k3y s SER 40 N -2.90 0.06 0.11 3.99 0.01 -1.26 -0.72 113.70 112.98 2k3y s SER 40 Ca 0.07 -0.88 -0.06 0.00 1.31 0.00 0.00 55.95 56.38 2k3y s SER 40 Cb 0.07 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 2k3y s SER 40 CO -0.10 -0.88 0.16 0.27 0.41 0.00 0.00 173.24 173.10 2k3y s ILE 41 N -3.97 0.13 -1.05 1.44 -4.36 -1.05 -1.07 121.20 111.27 2k3y s ILE 41 Ca 0.17 -1.44 -0.23 0.00 -0.26 0.00 0.00 60.65 58.90 2k3y s ILE 41 Cb 0.04 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 42.17 2k3y s ILE 41 CO -0.00 -0.59 1.64 -2.16 0.24 0.00 0.00 174.94 174.08 2k3y s PRO 42 N -3.92 3.34 0.00 0.37 0.04 -1.05 -4.55 135.00 129.22 2k3y s PRO 42 Ca 0.11 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.09 2k3y s PRO 42 Cb 0.05 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2k3y s PRO 42 CO -0.06 -2.61 0.52 -1.71 0.04 0.00 0.00 177.00 173.18 2k3y n ASN 43 N 10.38 0.57 -3.88 6.66 2.85 -1.26 -4.96 115.26 125.61 2k3y n ASN 43 Ca 0.38 -1.24 -0.09 0.00 -0.11 0.00 0.00 54.58 53.52 2k3y n ASN 43 Cb 0.49 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.44 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3y s ASP 44 N -0.24 0.10 -0.44 1.20 2.15 -1.26 -5.01 116.67 113.17 2k3y s ASP 44 Ca 0.00 -0.70 0.07 0.00 0.43 0.00 0.00 52.55 52.35 2k3y s ASP 44 Cb 0.00 0.36 0.24 0.00 -0.30 0.00 0.00 42.92 43.22 2k3y s ASP 44 CO 0.00 -0.77 0.55 0.29 -0.17 0.00 0.00 175.17 175.07 2k3y n LYS 45 N -0.10 1.02 -1.72 4.34 5.02 -1.26 -1.06 118.16 124.40 2k3y n LYS 45 Ca -0.13 -3.51 -0.42 0.00 -2.02 0.00 0.00 58.31 52.23 2k3y n LYS 45 Cb 0.63 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 2k3y n LYS 45 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k3y s PRO 46 N -1.31 4.14 0.00 1.97 0.04 -1.26 -1.17 135.00 137.40 2k3y s PRO 46 Ca 0.36 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.98 2k3y s PRO 46 Cb 0.15 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2k3y s PRO 46 CO -0.10 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2k3y n GLY 47 N 4.30 0.02 0.15 0.56 0.00 -1.26 -1.16 105.19 107.80 2k3y n GLY 47 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.07 0.94 3.48 -0.02 0.00 -0.32 -5.10 105.19 104.23 2k3y n GLY 48 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2k3y n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3y n SER 49 N 0.00 -1.36 0.34 1.61 7.64 -0.31 -4.95 113.62 116.59 2k3y n SER 49 Ca 0.00 0.09 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 2k3y n SER 49 Cb 0.00 -1.25 -0.10 0.00 -1.01 0.00 0.00 64.21 61.85 2k3y n SER 49 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3y h SER 50 N -2.16 -1.33 -3.21 6.43 0.02 -1.92 -3.40 113.55 107.97 2k3y h SER 50 Ca -0.52 0.10 0.21 0.00 -0.84 0.00 0.00 61.79 60.73 2k3y h SER 50 Cb 1.31 0.42 -0.27 0.00 0.14 0.00 0.00 62.40 64.00 2k3y h SER 50 CO 0.42 -0.70 0.87 -1.58 -1.14 0.00 0.00 176.83 174.70 2k3y s GLN 51 N -5.83 0.16 0.99 3.45 0.74 -1.26 -4.85 119.66 113.06 2k3y s GLN 51 Ca -0.18 0.05 -0.12 0.00 0.05 0.00 0.00 55.36 55.16 2k3y s GLN 51 Cb 0.04 0.08 0.19 0.00 1.10 0.00 0.00 33.01 34.41 2k3y s GLN 51 CO 0.59 -0.05 1.08 0.00 -0.55 0.00 0.00 175.29 176.36 2k3y s ALA 52 N -0.92 0.86 0.29 1.58 0.00 -0.23 -4.98 121.76 118.36 2k3y s ALA 52 Ca 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.04 2k3y s ALA 52 Cb -0.01 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2k3y s ALA 52 CO -0.07 -2.91 0.26 0.95 0.00 0.00 0.00 175.76 173.98 2k3y s THR 53 N -2.78 4.06 0.78 0.00 -4.23 -1.26 -4.50 115.64 107.71 2k3y s THR 53 Ca 0.66 -1.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.66 2k3y s THR 53 Cb -0.21 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.29 2k3y s THR 53 CO 0.59 -0.26 0.52 0.29 -0.54 0.00 0.00 174.62 175.22 2k3y n LYS 54 N -1.29 0.17 -0.24 3.99 5.02 -1.26 -2.54 118.16 122.01 2k3y n LYS 54 Ca -0.05 0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.28 2k3y n LYS 54 Cb 0.59 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 2k3y n LYS 54 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k3y n GLU 55 N -1.01 0.00 -2.25 1.97 2.13 -1.26 -4.72 120.64 115.50 2k3y n GLU 55 Ca 0.09 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.49 2k3y n GLU 55 Cb 0.51 -0.23 -0.03 0.00 0.27 0.00 0.00 31.44 31.96 2k3y n GLU 55 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2k3y s ILE 56 N 1.22 3.56 0.27 6.31 1.01 -0.23 -4.95 121.20 128.39 2k3y s ILE 56 Ca 0.22 1.10 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 2k3y s ILE 56 Cb -0.19 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 2k3y s ILE 56 CO 0.08 0.07 1.35 -0.54 0.00 0.00 0.00 174.94 175.90 2k3y s LYS 57 N 1.25 4.34 0.10 2.79 3.01 -1.26 -3.99 119.74 125.97 2k3y s LYS 57 Ca 0.63 2.20 -0.31 0.00 -1.01 0.00 0.00 55.97 57.48 2k3y s LYS 57 Cb -0.34 -3.11 -0.07 0.00 -1.01 0.00 0.00 37.83 33.30 2k3y s LYS 57 CO 0.29 -0.27 1.26 -1.25 0.51 0.00 0.00 175.35 175.90 2k3y s PRO 58 N -0.95 4.40 0.21 -1.68 0.04 -1.26 -4.92 135.00 130.85 2k3y s PRO 58 Ca 0.54 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.48 2k3y s PRO 58 Cb -0.40 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 2k3y s PRO 58 CO 0.46 -0.29 0.06 -0.65 0.04 0.00 0.00 177.00 176.63 2k3y s GLN 59 N 0.81 1.25 0.64 4.56 -0.21 -1.26 -4.97 119.66 120.48 2k3y s GLN 59 Ca 0.59 -1.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.16 2k3y s GLN 59 Cb -0.33 -0.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.49 2k3y s GLN 59 CO 0.31 -0.24 1.19 0.21 -2.12 0.00 0.00 175.29 174.64 2k3y s LYS 60 N -4.00 2.71 0.04 2.91 2.47 -1.26 -4.01 119.74 118.60 2k3y s LYS 60 Ca 0.32 1.74 0.03 0.00 -1.56 0.00 0.00 55.97 56.50 2k3y s LYS 60 Cb 0.07 -1.91 -0.04 0.00 -1.46 0.00 0.00 37.83 34.50 2k3y s LYS 60 CO 0.09 -1.39 0.01 -1.17 0.16 0.00 0.00 175.35 173.05 2k3y s LEU 61 N -4.50 3.51 0.00 5.43 0.20 -1.26 -4.83 118.68 117.23 2k3y s LEU 61 Ca 0.75 -0.08 0.00 0.00 0.69 0.00 0.00 54.13 55.49 2k3y s LEU 61 Cb -0.28 -2.12 0.00 0.00 -0.43 0.00 0.00 46.19 43.35 2k3y s LEU 61 CO 0.38 0.23 0.00 0.61 -0.29 0.00 0.00 176.35 177.28 2k3y n GLY 62 N 0.99 0.96 0.00 7.98 0.00 -1.26 -5.05 105.19 108.82 2k3y n GLY 62 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k3y n GLY 62 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k3y n GLU 63 N 0.00 2.64 -0.04 1.61 0.28 -1.26 -4.80 120.64 119.08 2k3y n GLU 63 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2k3y n GLU 63 Cb 0.00 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 32.59 2k3y n GLU 63 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k3y n ASP 64 N -0.39 0.00 -2.39 -1.84 2.03 -1.26 -5.11 116.55 107.59 2k3y n ASP 64 Ca 0.00 -1.08 -0.06 0.00 0.52 0.00 0.00 54.79 54.17 2k3y n ASP 64 Cb 0.02 -0.02 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3y n GLU 65 N 0.00 0.81 -3.61 -0.67 0.00 -1.26 -5.09 120.64 110.81 2k3y n GLU 65 Ca 0.00 -1.60 -0.14 0.00 0.00 0.00 0.00 57.16 55.42 2k3y n GLU 65 Cb 0.52 2.01 -0.07 0.00 0.00 0.00 0.00 31.44 33.90 2k3y n GLU 65 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2k3y s SER 66 N -2.59 -0.68 -0.09 -1.84 0.01 -1.26 -4.37 113.70 102.88 2k3y s SER 66 Ca 0.13 1.21 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 2k3y s SER 66 Cb -0.04 1.19 0.03 0.00 0.21 0.00 0.00 66.02 67.42 2k3y s SER 66 CO 0.08 -0.29 -0.02 -0.51 0.41 0.00 0.00 173.24 172.91 2k3y s ILE 67 N 0.06 0.54 0.52 1.44 2.07 -1.26 -4.73 121.20 119.83 2k3y s ILE 67 Ca -0.01 -0.01 -0.22 0.00 -1.41 0.00 0.00 60.65 59.00 2k3y s ILE 67 Cb -0.04 -0.68 -0.07 0.00 0.13 0.00 0.00 42.46 41.80 2k3y s ILE 67 CO 0.01 0.27 1.18 -2.65 -1.91 0.00 0.00 174.94 171.84 2k3y n PRO 68 N 5.09 1.47 0.28 3.50 -0.02 -1.26 -4.80 135.00 139.27 2k3y n PRO 68 Ca -0.08 0.54 0.18 0.00 -2.02 0.00 0.00 63.50 62.12 2k3y n PRO 68 Cb 0.50 -2.34 0.91 0.00 -0.02 0.00 0.00 33.50 32.55 2k3y n PRO 68 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k3y h GLU 69 N 1.33 0.00 -0.30 -0.52 5.08 -2.00 -0.02 114.58 118.15 2k3y h GLU 69 Ca -0.49 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 2k3y h GLU 69 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2k3y h GLU 69 CO 0.56 0.00 0.21 0.93 -1.00 0.00 0.00 179.01 179.71 2k3y h GLU 70 N 0.00 0.16 0.00 2.33 3.07 -2.02 -3.27 114.58 114.85 2k3y h GLU 70 Ca 0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2k3y h GLU 70 Cb 0.50 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2k3y h GLU 70 CO -0.00 0.10 -0.86 0.44 -1.40 0.00 0.00 179.01 177.29 2k3y n ILE 71 N -4.48 0.00 -0.27 3.13 -5.35 -0.09 -4.50 119.36 107.80 2k3y n ILE 71 Ca 0.03 -0.15 0.05 0.00 -0.27 0.00 0.00 62.75 62.41 2k3y n ILE 71 Cb 0.27 0.58 0.19 0.00 -1.74 0.00 0.00 39.64 38.94 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 0.76 -0.07 7.28 1.08 -1.43 -2.84 117.51 122.29 2k3y h ILE 72 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2k3y h ILE 72 Cb 0.10 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 2k3y h ILE 72 CO 0.00 0.11 0.00 -0.46 -0.69 0.00 0.00 178.15 177.11 2k3y n ASN 73 N -4.89 0.57 -1.20 1.72 0.23 -1.24 -3.94 115.26 106.51 2k3y n ASN 73 Ca 0.15 -2.02 -0.01 0.00 -0.53 0.00 0.00 54.58 52.17 2k3y n ASN 73 Cb 0.38 -0.13 0.00 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 0.52 1.83 3.71 4.83 0.00 -1.07 -4.78 105.19 110.22 2k3y n GLY 74 Ca 0.02 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2k3y n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k3y n LYS 75 N -0.06 2.33 -4.04 1.61 4.76 -1.26 -4.10 118.16 117.41 2k3y n LYS 75 Ca -0.01 0.83 -0.11 0.00 -2.87 0.00 0.00 58.31 56.15 2k3y n LYS 75 Cb 0.07 -2.52 -0.11 0.00 -1.84 0.00 0.00 35.03 30.62 2k3y n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k3y s SER 76 N 0.23 0.59 -0.12 4.39 0.01 -0.61 -4.02 113.70 114.18 2k3y s SER 76 Ca 0.63 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 57.28 2k3y s SER 76 Cb -0.57 0.08 0.05 0.00 0.21 0.00 0.00 66.02 65.78 2k3y s SER 76 CO 0.52 -0.28 0.06 -0.36 0.41 0.00 0.00 173.24 173.59 2k3y s PHE 77 N -1.70 0.35 -0.03 2.43 0.08 -0.87 -0.75 117.98 117.49 2k3y s PHE 77 Ca -0.10 -0.19 -0.28 0.00 0.12 0.00 0.00 56.93 56.48 2k3y s PHE 77 Cb -0.08 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 2k3y s PHE 77 CO -0.01 -0.39 0.92 0.12 -0.10 0.00 0.00 175.22 175.76 2k3y s PHE 78 N 2.08 3.62 0.03 0.36 5.36 0.53 -1.57 117.98 128.39 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 -3.06 -0.02 0.00 -0.34 0.00 0.00 43.02 39.46 2k3y s PHE 78 CO -0.06 -0.02 -0.05 0.96 -1.46 0.00 0.00 175.22 174.58 2k3y s ILE 79 N 1.13 0.32 -0.21 3.12 -4.36 -1.15 -1.87 121.20 118.17 2k3y s ILE 79 Ca 0.48 -0.91 -0.17 0.00 -0.26 0.00 0.00 60.65 59.79 2k3y s ILE 79 Cb -0.20 -0.41 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 2k3y s ILE 79 CO 0.24 -0.39 0.47 -2.28 0.24 0.00 0.00 174.94 173.22 2k3y s HIS 80 N -1.29 3.35 -0.28 1.37 5.65 -0.56 -3.72 115.29 119.82 2k3y s HIS 80 Ca -0.12 0.69 -0.29 0.00 0.25 0.00 0.00 55.06 55.59 2k3y s HIS 80 Cb -0.09 -2.62 -0.01 0.00 -1.18 0.00 0.00 32.58 28.67 2k3y s HIS 80 CO -0.00 -0.10 1.56 0.71 -0.65 0.00 0.00 174.74 176.26 2k3y s TYR 81 N 1.63 2.20 0.49 3.88 2.02 -1.26 -1.71 117.35 124.61 2k3y s TYR 81 Ca 0.22 0.63 -0.21 0.00 -0.37 0.00 0.00 57.07 57.34 2k3y s TYR 81 Cb -0.15 -4.04 -0.08 0.00 -0.40 0.00 0.00 41.96 37.29 2k3y s TYR 81 CO 0.09 -2.58 1.06 -0.65 -1.57 0.00 0.00 175.55 171.90 2k3y s GLN 82 N 4.78 3.74 -1.13 -0.62 -1.52 -0.41 -2.74 119.66 121.76 2k3y s GLN 82 Ca 0.69 1.45 0.00 0.00 -1.95 0.00 0.00 55.36 55.54 2k3y s GLN 82 Cb -0.21 -2.13 0.00 0.00 -0.22 0.00 0.00 33.01 30.45 2k3y s GLN 82 CO 0.29 -0.50 0.00 0.41 -0.25 0.00 0.00 175.29 175.24 2k3y n GLY 83 N -0.08 1.06 3.30 3.09 0.00 -1.26 -4.56 105.19 106.74 2k3y n GLY 83 Ca 0.09 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.02 1.49 0.79 1.61 0.52 -1.11 -5.16 118.94 115.07 2k3y s TRP 84 Ca 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 56.10 54.69 2k3y s TRP 84 Cb 0.00 -0.81 0.06 0.00 -1.15 0.00 0.00 33.47 31.58 2k3y s TRP 84 CO 0.00 -0.49 1.09 0.15 0.02 0.00 0.00 176.95 177.71 2k3y s LYS 85 N -3.95 2.15 0.18 4.98 1.02 -1.26 -4.86 119.74 118.01 2k3y s LYS 85 Ca 0.37 1.01 0.23 0.00 0.02 0.00 0.00 55.97 57.60 2k3y s LYS 85 Cb 0.06 -1.90 0.90 0.00 -0.52 0.00 0.00 37.83 36.37 2k3y s LYS 85 CO 0.15 -1.67 1.69 0.43 -0.92 0.00 0.00 175.35 175.04 2k3y n SER 86 N -3.52 0.52 -0.08 2.83 7.64 -1.26 -3.20 113.62 116.55 2k3y n SER 86 Ca 0.08 0.61 0.16 0.00 1.01 0.00 0.00 58.87 60.73 2k3y n SER 86 Cb 0.54 -0.73 0.57 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.25 -0.08 6.43 0.02 -2.00 -1.53 113.55 116.65 2k3y h SER 87 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3y h SER 87 Cb 0.42 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2k3y h SER 87 CO 0.00 0.14 0.00 0.79 -1.14 0.00 0.00 176.83 176.62 2k3y n TRP 88 N -4.44 0.10 -1.85 3.45 7.02 -1.20 -4.91 117.44 115.61 2k3y n TRP 88 Ca 0.11 -0.05 -0.42 0.00 -1.02 0.00 0.00 57.50 56.12 2k3y n TRP 88 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 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 -1.76 6.51 0.03 -0.99 1.01 -0.58 -4.79 116.67 116.11 2k3y s ASP 89 Ca 0.35 2.40 -0.26 0.00 0.71 0.00 0.00 52.55 55.74 2k3y s ASP 89 Cb 0.18 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.65 2k3y s ASP 89 CO 0.29 -1.04 0.61 -0.70 0.21 0.00 0.00 175.17 174.54 2k3y s GLU 90 N 4.34 1.10 0.22 8.23 2.12 -1.24 -5.02 118.70 128.45 2k3y s GLU 90 Ca 0.81 -0.08 -0.10 0.00 0.36 0.00 0.00 54.97 55.97 2k3y s GLU 90 Cb -0.37 0.51 -0.07 0.00 0.26 0.00 0.00 34.13 34.46 2k3y s GLU 90 CO 0.35 -0.40 0.53 -1.58 -0.54 0.00 0.00 175.26 173.63 2k3y s TRP 91 N -2.21 3.44 0.05 5.30 0.52 -1.26 -2.93 118.94 121.85 2k3y s TRP 91 Ca -0.06 0.86 0.04 0.00 0.02 0.00 0.00 56.10 56.95 2k3y s TRP 91 Cb -0.01 -2.25 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 2k3y s TRP 91 CO 0.01 0.29 -0.11 0.14 0.02 0.00 0.00 176.95 177.29 2k3y s VAL 92 N -1.78 0.87 0.57 4.03 -7.23 -0.61 -4.91 120.40 111.34 2k3y s VAL 92 Ca 0.46 -1.14 -0.07 0.00 -1.81 0.00 0.00 61.98 59.42 2k3y s VAL 92 Cb -0.11 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 2k3y s VAL 92 CO 0.21 -0.24 0.90 -0.83 -0.31 0.00 0.00 175.10 174.83 2k3y s GLY 93 N -1.55 1.58 0.00 2.32 0.00 -1.26 -2.04 107.32 106.37 2k3y s GLY 93 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2k3y s GLY 93 CO 0.01 -0.22 0.45 2.98 0.00 0.00 0.00 173.10 176.32 2k3y n TYR 94 N -2.54 0.00 -0.01 1.90 9.36 -1.26 -1.10 117.16 123.52 2k3y n TYR 94 Ca 0.04 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.11 2k3y n TYR 94 Cb 0.56 -0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.13 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 -0.50 1.50 -0.08 2.98 2.03 -1.26 -4.54 116.55 116.68 2k3y n ASP 95 Ca 0.00 0.31 -0.23 0.00 0.52 0.00 0.00 54.79 55.40 2k3y n ASP 95 Cb 0.00 -0.46 -0.12 0.00 -0.72 0.00 0.00 41.12 39.82 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 -3.26 0.65 -3.83 -0.67 0.63 -0.26 -4.95 116.66 104.97 2k3y n ARG 96 Ca -0.24 0.35 -0.25 0.00 -0.92 0.00 0.00 57.85 56.79 2k3y n ARG 96 Cb 1.05 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 32.28 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 -2.48 5.26 0.05 5.15 2.07 -0.73 -1.93 121.20 128.58 2k3y s ILE 97 Ca -0.29 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 58.18 2k3y s ILE 97 Cb 0.08 -3.78 0.01 0.00 0.13 0.00 0.00 42.46 38.90 2k3y s ILE 97 CO 0.63 -0.21 0.24 -0.13 -1.91 0.00 0.00 174.94 173.57 2k3y s ARG 98 N -3.53 0.76 0.80 3.50 0.52 -0.13 -4.47 118.95 116.40 2k3y s ARG 98 Ca 0.36 -0.60 -0.11 0.00 -0.52 0.00 0.00 55.73 54.86 2k3y s ARG 98 Cb -0.10 0.32 0.07 0.00 0.52 0.00 0.00 34.95 35.76 2k3y s ARG 98 CO 0.29 -0.23 1.09 0.00 0.02 0.00 0.00 175.30 176.47 2k3y s ALA 99 N -2.66 2.10 -0.15 2.13 0.00 -1.26 -0.09 121.76 121.83 2k3y s ALA 99 Ca -0.04 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 2k3y s ALA 99 Cb -0.01 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2k3y s ALA 99 CO -0.04 -1.87 1.54 -0.47 0.00 0.00 0.00 175.76 174.92 2k3y s TYR 100 N -2.94 2.24 0.13 0.00 6.14 0.21 -4.65 117.35 118.47 2k3y s TYR 100 Ca 0.61 0.53 -0.24 0.00 0.64 0.00 0.00 57.07 58.61 2k3y s TYR 100 Cb -0.17 -3.85 0.07 0.00 0.42 0.00 0.00 41.96 38.44 2k3y s TYR 100 CO 0.56 -2.96 0.70 0.54 0.64 0.00 0.00 175.55 175.03 2k3y s ASN 101 N 3.36 -0.48 0.39 4.32 2.20 -1.26 -4.43 114.94 119.04 2k3y s ASN 101 Ca 0.68 -0.07 0.15 0.00 -0.94 0.00 0.00 52.86 52.67 2k3y s ASN 101 Cb -0.27 0.55 1.00 0.00 -2.00 0.00 0.00 41.25 40.53 2k3y s ASN 101 CO 0.26 -0.92 1.84 -0.08 -2.94 0.00 0.00 177.10 175.26 2k3y h GLU 102 N 2.00 0.48 -0.42 3.55 4.81 -1.98 0.35 114.58 123.38 2k3y h GLU 102 Ca -0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2k3y h GLU 102 Cb 1.28 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2k3y h GLU 102 CO 0.34 0.32 0.21 1.49 -0.73 0.00 0.00 179.01 180.64 2k3y h GLU 103 N 0.50 0.59 0.00 1.92 4.81 -1.98 0.16 114.58 120.59 2k3y h GLU 103 Ca 0.49 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.59 2k3y h GLU 103 Cb 1.10 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2k3y h GLU 103 CO -0.22 0.51 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.41 2k3y h ASN 104 N 0.53 0.00 -0.05 1.04 2.35 -1.31 -1.58 115.58 116.56 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 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2k3y h ASN 104 CO -0.02 0.25 -0.37 0.40 -1.65 0.00 0.00 177.43 176.04 2k3y h ILE 105 N 0.00 1.29 -0.68 2.81 1.08 -0.72 0.23 117.51 121.52 2k3y h ILE 105 Ca -0.00 -1.50 -0.06 0.00 -0.39 0.00 0.00 64.86 62.91 2k3y h ILE 105 Cb 1.01 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 2k3y h ILE 105 CO 0.03 0.48 0.21 0.00 -0.69 0.00 0.00 178.15 178.18 2k3y h ALA 106 N 1.14 0.89 -0.10 1.87 0.00 -0.26 0.18 119.26 122.99 2k3y h ALA 106 Ca 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2k3y h ALA 106 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k3y h ALA 106 CO 0.07 0.58 -0.03 1.98 0.00 0.00 0.00 179.25 181.85 2k3y h MET 107 N 1.00 -0.01 -0.23 0.00 1.85 -1.11 -1.58 114.93 114.85 2k3y h MET 107 Ca 0.22 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.32 2k3y h MET 107 Cb 0.31 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 2k3y h MET 107 CO -0.01 -0.01 0.12 -0.22 -0.40 0.00 0.00 176.91 176.40 2k3y h LYS 108 N -0.01 0.25 0.14 0.39 3.64 0.23 -0.98 116.57 120.23 2k3y h LYS 108 Ca 0.05 -0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.13 2k3y h LYS 108 Cb 0.09 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2k3y h LYS 108 CO -0.11 0.17 -1.27 1.57 -2.27 0.00 0.00 179.45 177.54 2k3y h LYS 109 N 0.26 0.34 -0.12 1.90 2.10 -0.63 0.22 116.57 120.63 2k3y h LYS 109 Ca 0.09 -0.55 0.03 0.00 -2.00 0.00 0.00 60.65 58.22 2k3y h LYS 109 Cb 0.01 0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2k3y h LYS 109 CO -0.06 1.26 0.10 -0.09 -2.00 0.00 0.00 179.45 178.66 2k3y h ARG 110 N 0.10 0.00 0.05 0.07 1.12 -1.12 0.02 114.38 114.63 2k3y h ARG 110 Ca -0.15 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.40 2k3y h ARG 110 Cb 1.98 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.91 2k3y h ARG 110 CO 0.22 0.00 -1.75 1.28 -3.11 0.00 0.00 179.97 176.61 2k3y n LEU 111 N -4.23 2.24 0.04 3.80 4.77 -0.39 -4.04 117.00 119.19 2k3y n LEU 111 Ca -0.00 0.30 0.22 0.00 -0.03 0.00 0.00 56.01 56.49 2k3y n LEU 111 Cb 0.22 -1.01 0.73 0.00 -2.33 0.00 0.00 43.42 41.03 2k3y n LEU 111 CO 0.32 0.57 1.19 0.00 -1.33 0.00 0.00 177.39 178.14 2k3y h ALA 112 N -0.30 2.28 -0.80 -1.18 0.00 -0.50 0.60 119.26 119.37 2k3y h ALA 112 Ca -0.43 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2k3y h ALA 112 Cb 1.65 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 2k3y h ALA 112 CO -0.11 -0.72 0.50 -0.97 0.00 0.00 0.00 179.25 177.95 2k3y h ASN 113 N 0.00 0.81 0.00 0.00 -1.24 -1.12 -3.25 115.58 110.78 2k3y h ASN 113 Ca 0.24 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.25 2k3y h ASN 113 Cb 1.16 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 40.05 2k3y h ASN 113 CO -0.00 0.54 -0.78 -1.84 -1.29 0.00 0.00 177.43 174.06 2k3y n GLU 114 N -4.62 1.55 -0.27 6.67 0.28 0.03 -4.73 120.64 119.54 2k3y n GLU 114 Ca 0.10 -0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.19 2k3y n GLU 114 Cb 0.12 -1.28 0.23 0.00 1.43 0.00 0.00 31.44 31.94 2k3y n GLU 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3y h ALA 115 N 2.34 1.10 0.00 -1.84 0.00 -1.11 -3.46 119.26 116.29 2k3y h ALA 115 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k3y h ALA 115 Cb 0.39 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k3y h ALA 115 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2k3y n GLY 116 N -1.37 2.02 2.41 0.00 0.00 -1.26 -4.28 105.19 102.71 2k3y n GLY 116 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 0.11 -5.01 0.00 1.61 7.64 -1.26 -4.87 113.62 111.84 2k3y n SER 117 Ca 0.00 0.10 0.09 0.00 1.01 0.00 0.00 58.87 60.07 2k3y n SER 117 Cb 0.00 -4.22 0.53 0.00 -1.01 0.00 0.00 64.21 59.51 2k3y n SER 117 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k3y n THR 118 N -3.64 0.03 0.17 0.44 -2.24 -1.26 -3.56 114.28 104.22 2k3y n THR 118 Ca -0.20 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 2k3y n THR 118 Cb 0.65 -0.73 0.59 0.00 -2.10 0.00 0.00 70.33 68.74 2k3y n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3y n GLY 119 N 0.13 -0.86 0.00 3.38 0.00 -1.26 -1.47 105.19 105.12 2k3y n GLY 119 Ca 0.13 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.42 2k3y n GLY 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3y n SER 120 N -2.26 0.00 -4.25 1.61 3.41 -1.23 -4.80 113.62 106.10 2k3y n SER 120 Ca -0.01 -1.08 -0.15 0.00 -0.26 0.00 0.00 58.87 57.36 2k3y n SER 120 Cb 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k3y s ALA 121 N -2.00 1.59 -1.69 7.33 0.00 -0.54 -5.04 121.76 121.41 2k3y s ALA 121 Ca 0.21 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2k3y s ALA 121 Cb 0.10 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.38 2k3y s ALA 121 CO 0.16 -0.50 0.09 -2.30 0.00 0.00 0.00 175.76 173.22 2k3y n PRO 122 N -0.42 0.11 -2.41 0.00 -0.02 -1.26 -4.86 135.00 126.14 2k3y n PRO 122 Ca 0.01 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 2k3y n PRO 122 Cb 0.66 -1.02 -0.03 0.00 -0.02 0.00 0.00 33.50 33.09 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3y s ALA 123 N -1.69 3.22 0.00 3.55 0.00 -1.26 -4.96 121.76 120.62 2k3y s ALA 123 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2k3y s ALA 123 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2k3y s ALA 123 CO 0.00 -0.34 0.43 0.25 0.00 0.00 0.00 175.76 176.10 2k3y n THR 124 N 0.37 0.19 0.31 0.00 -2.24 -1.26 -4.69 114.28 106.95 2k3y n THR 124 Ca 0.03 -0.30 0.17 0.00 -2.27 0.00 0.00 64.05 61.67 2k3y n THR 124 Cb 0.47 1.23 0.99 0.00 -2.10 0.00 0.00 70.33 70.92 2k3y n THR 124 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2k3y h GLY 125 N 0.00 0.00 -2.24 3.38 0.00 -1.99 -3.33 103.07 98.90 2k3y h GLY 125 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2k3y h GLY 125 CO 0.00 0.00 -0.18 0.61 0.00 0.00 0.00 176.54 176.97 2k3y n GLY 126 N -1.26 0.30 0.00 4.60 0.00 -1.26 -5.06 105.19 102.51 2k3y n GLY 126 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2k3y n GLY 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k3y n VAL 127 N -0.23 0.00 0.00 1.61 3.14 -1.25 -4.36 118.33 117.24 2k3y n VAL 127 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2k3y n VAL 127 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 2k3y n VAL 127 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2k3y n LYS 129 N 0.00 0.00 0.06 1.45 4.76 -1.26 -4.64 118.16 118.53 2k3y n LYS 129 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2k3y n LYS 129 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 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 -3.33 1.97 0.13 -2.00 -3.51 132.00 125.26 2k3y h PRO 130 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k3y h PRO 130 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k3y h PRO 130 CO 0.00 0.64 -0.85 1.58 -0.23 0.00 0.00 178.00 179.15 2k3y n HIS 131 N -3.18 -3.87 -1.54 1.56 -0.00 -1.26 -4.98 115.22 101.96 2k3y n HIS 131 Ca -0.04 2.08 -0.35 0.00 0.46 0.00 0.00 57.72 59.87 2k3y n HIS 131 Cb 0.89 -3.27 0.09 0.00 -0.12 0.00 0.00 29.99 27.58 2k3y n HIS 131 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2k3y s ARG 132 N -4.82 2.26 0.43 1.57 1.70 -1.26 -4.94 118.95 113.90 2k3y s ARG 132 Ca 0.00 1.90 0.18 0.00 -0.47 0.00 0.00 55.73 57.35 2k3y s ARG 132 Cb 0.00 -1.83 0.98 0.00 -0.57 0.00 0.00 34.95 33.53 2k3y s ARG 132 CO 0.00 -1.78 1.91 0.10 -1.08 0.00 0.00 175.30 174.46 2k3y h TYR 133 N 0.02 0.00 0.00 5.89 -0.00 -2.07 -3.55 116.97 117.25 2k3y h TYR 133 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.24 2k3y h TYR 133 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 2k3y h TYR 133 CO 0.44 0.26 0.00 -2.13 -0.00 0.00 0.00 178.16 176.74