#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3y s VAL 2 N 0.00 2.85 0.12 1.12 -7.23 -1.26 -4.98 120.40 111.02 2k3y s VAL 2 Ca 0.00 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 2k3y s VAL 2 Cb 0.00 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2k3y s VAL 2 CO 0.00 -0.36 0.00 -0.67 -0.31 0.00 0.00 175.10 173.76 2k3y n ASP 3 N -3.82 -0.71 -0.04 4.85 2.03 -1.26 -4.93 116.55 112.67 2k3y n ASP 3 Ca 0.09 0.22 0.01 0.00 0.52 0.00 0.00 54.79 55.64 2k3y n ASP 3 Cb 0.53 0.87 0.33 0.00 -0.72 0.00 0.00 41.12 42.13 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 0.56 -2.13 -2.67 6.46 -1.96 -2.66 115.31 112.90 2k3y h LEU 4 Ca 0.00 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2k3y h LEU 4 Cb 0.00 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.78 2k3y h LEU 4 CO 0.00 0.51 0.07 -0.08 -0.62 0.00 0.00 178.44 178.32 2k3y h GLU 5 N 0.62 0.00 -0.00 1.25 4.81 -1.93 -2.01 114.58 117.31 2k3y h GLU 5 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2k3y h GLU 5 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k3y h GLU 5 CO -0.02 0.00 -0.31 0.94 -0.73 0.00 0.00 179.01 178.89 2k3y n GLN 6 N -4.28 0.54 -2.32 1.92 7.27 -1.00 -4.54 117.38 114.97 2k3y n GLN 6 Ca -0.01 -0.30 -0.28 0.00 0.07 0.00 0.00 57.00 56.48 2k3y n GLN 6 Cb 0.18 -1.49 0.01 0.00 2.41 0.00 0.00 30.24 31.35 2k3y n GLN 6 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k3y s GLU 7 N -2.67 3.40 -0.99 3.69 0.41 -0.76 -4.52 118.70 117.27 2k3y s GLU 7 Ca 0.20 0.34 -0.27 0.00 -0.41 0.00 0.00 54.97 54.83 2k3y s GLU 7 Cb 0.19 -2.25 -0.20 0.00 -1.78 0.00 0.00 34.13 30.09 2k3y s GLU 7 CO 0.57 -0.46 2.22 -0.59 -0.49 0.00 0.00 175.26 176.52 2k3y s PHE 8 N -2.95 1.16 0.07 1.61 -0.12 -1.26 -4.75 117.98 111.73 2k3y s PHE 8 Ca 0.51 2.30 -0.31 0.00 -0.05 0.00 0.00 56.93 59.39 2k3y s PHE 8 Cb -0.11 -3.33 -0.06 0.00 -0.63 0.00 0.00 43.02 38.90 2k3y s PHE 8 CO 0.48 -0.93 1.20 0.00 -0.05 0.00 0.00 175.22 175.91 2k3y s ALA 9 N 16.62 3.39 -1.59 1.99 0.00 -1.26 -4.89 121.76 136.01 2k3y s ALA 9 Ca 0.86 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.71 2k3y s ALA 9 Cb -0.08 -3.44 0.20 0.00 0.00 0.00 0.00 23.12 19.81 2k3y s ALA 9 CO 0.15 -0.43 0.88 -0.11 0.00 0.00 0.00 175.76 176.25 2k3y n LEU 10 N 3.82 0.00 -1.67 0.00 0.00 -1.26 -1.23 117.00 116.66 2k3y n LEU 10 Ca 0.09 0.20 -0.03 0.00 0.00 0.00 0.00 56.01 56.27 2k3y n LEU 10 Cb 0.46 -0.20 0.01 0.00 0.00 0.00 0.00 43.42 43.68 2k3y n LEU 10 CO 0.55 -0.18 0.34 0.61 0.00 0.00 0.00 177.39 178.71 2k3y n GLY 11 N -0.90 1.09 0.00 -3.96 0.00 -1.26 -4.28 105.19 95.87 2k3y n GLY 11 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.35 -0.61 3.88 -0.02 0.00 -0.37 -4.98 105.19 102.73 2k3y n GLY 12 Ca -0.16 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.22 3.17 0.12 1.61 0.52 -1.26 -4.24 118.95 118.64 2k3y s ARG 13 Ca 0.00 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.46 2k3y s ARG 13 Cb 0.00 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 2k3y s ARG 13 CO 0.00 0.47 -0.12 0.14 0.02 0.00 0.00 175.30 175.82 2k3y s VAL 14 N -1.85 1.15 -0.05 3.52 -7.23 -0.48 -0.53 120.40 114.93 2k3y s VAL 14 Ca 0.33 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 2k3y s VAL 14 Cb -0.10 -1.57 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 2k3y s VAL 14 CO 0.26 -0.57 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.56 2k3y s LEU 15 N -2.67 1.91 -0.08 1.32 1.43 0.19 -0.43 118.68 120.35 2k3y s LEU 15 Ca 0.10 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2k3y s LEU 15 Cb -0.02 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.24 2k3y s LEU 15 CO 0.01 0.15 -0.14 0.00 0.23 0.00 0.00 176.35 176.60 2k3y s ALA 16 N 0.07 1.43 -0.16 4.21 0.00 -0.45 -1.34 121.76 125.53 2k3y s ALA 16 Ca -0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 2k3y s ALA 16 Cb -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 2k3y s ALA 16 CO 0.02 0.10 0.02 0.12 0.00 0.00 0.00 175.76 176.03 2k3y s PHE 17 N 0.68 3.17 -0.01 0.00 5.36 -0.13 -0.86 117.98 126.18 2k3y s PHE 17 Ca -0.14 -0.02 0.07 0.00 -0.96 0.00 0.00 56.93 55.88 2k3y s PHE 17 Cb -0.16 -1.99 -0.11 0.00 -0.34 0.00 0.00 43.02 40.43 2k3y s PHE 17 CO 0.04 0.16 0.15 0.72 -1.46 0.00 0.00 175.22 174.82 2k3y n HIS 18 N 3.27 0.00 0.00 10.12 8.25 -0.66 -4.80 115.22 131.39 2k3y n HIS 18 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2k3y n HIS 18 Cb 0.53 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 2.10 0.98 0.21 -1.41 0.00 -1.26 -4.89 105.19 100.91 2k3y n GLY 19 Ca -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 0.28 0.00 1.61 0.13 -1.98 -3.47 132.00 128.57 2k3y h PRO 20 Ca 0.00 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 2k3y h PRO 20 Cb 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 2k3y h PRO 20 CO 0.00 0.58 0.10 -0.11 -0.23 0.00 0.00 178.00 178.34 2k3y n LEU 21 N -4.09 0.00 -4.07 1.56 0.00 -1.26 -4.94 117.00 104.20 2k3y n LEU 21 Ca -0.01 -2.55 -0.08 0.00 0.00 0.00 0.00 56.01 53.37 2k3y n LEU 21 Cb 0.42 3.13 -0.10 0.00 0.00 0.00 0.00 43.42 46.88 2k3y n LEU 21 CO 0.41 -0.74 -0.32 0.00 0.00 0.00 0.00 177.39 176.75 2k3y s MET 22 N -2.36 0.68 0.07 1.96 0.23 -1.26 -1.66 119.30 116.96 2k3y s MET 22 Ca 0.20 -1.21 -0.00 0.00 -1.03 0.00 0.00 55.69 53.65 2k3y s MET 22 Cb -0.03 0.23 -0.04 0.00 -1.53 0.00 0.00 34.83 33.46 2k3y s MET 22 CO 0.15 -0.15 -0.03 0.71 -2.03 0.00 0.00 175.02 173.67 2k3y s TYR 23 N -3.93 0.63 0.28 3.16 2.02 -0.04 -4.94 117.35 114.52 2k3y s TYR 23 Ca 0.09 -1.05 -0.29 0.00 -0.37 0.00 0.00 57.07 55.45 2k3y s TYR 23 Cb 0.08 -0.43 -0.09 0.00 -0.40 0.00 0.00 41.96 41.12 2k3y s TYR 23 CO -0.09 -0.34 1.02 -1.21 -1.57 0.00 0.00 175.55 173.36 2k3y s GLU 24 N -3.91 4.69 0.05 -0.62 8.01 -1.26 -1.34 118.70 124.32 2k3y s GLU 24 Ca 0.09 1.61 -0.02 0.00 0.01 0.00 0.00 54.97 56.66 2k3y s GLU 24 Cb 0.07 -3.14 -0.04 0.00 -4.31 0.00 0.00 34.13 26.72 2k3y s GLU 24 CO -0.08 0.31 -0.01 0.00 0.01 0.00 0.00 175.26 175.50 2k3y s ALA 25 N -1.25 0.42 -0.28 5.21 0.00 0.43 -1.01 121.76 125.28 2k3y s ALA 25 Ca 0.45 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 2k3y s ALA 25 Cb -0.27 0.29 0.14 0.00 0.00 0.00 0.00 23.12 23.27 2k3y s ALA 25 CO 0.35 -0.38 0.32 0.21 0.00 0.00 0.00 175.76 176.26 2k3y s LYS 26 N -3.83 0.34 0.65 0.00 2.20 -0.64 -1.39 119.74 117.07 2k3y s LYS 26 Ca 0.06 -0.00 -0.18 0.00 -0.36 0.00 0.00 55.97 55.49 2k3y s LYS 26 Cb 0.07 -0.60 -0.01 0.00 -1.51 0.00 0.00 37.83 35.78 2k3y s LYS 26 CO -0.10 -0.97 1.22 -0.89 -0.36 0.00 0.00 175.35 174.25 2k3y n ILE 27 N 5.33 4.63 0.00 5.43 5.41 -1.26 -1.44 119.36 137.46 2k3y n ILE 27 Ca -0.02 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.24 2k3y n ILE 27 Cb 0.48 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.00 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 -1.73 0.00 -4.49 1.39 -0.00 -0.79 -4.47 117.00 106.90 2k3y n LEU 28 Ca 0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.85 2k3y n LEU 28 Cb 0.48 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.78 2k3y n LEU 28 CO 0.47 0.00 -0.46 -0.54 -0.00 0.00 0.00 177.39 176.86 2k3y s LYS 29 N -0.77 2.21 0.08 1.47 1.02 -1.20 -2.11 119.74 120.44 2k3y s LYS 29 Ca 0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 2k3y s LYS 29 Cb 0.00 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2k3y s LYS 29 CO 0.00 0.56 0.06 0.96 -0.92 0.00 0.00 175.35 176.01 2k3y s ILE 30 N -0.94 0.17 0.02 2.17 -4.36 0.26 -0.36 121.20 118.16 2k3y s ILE 30 Ca 0.15 -1.64 -0.14 0.00 -0.26 0.00 0.00 60.65 58.77 2k3y s ILE 30 Cb -0.11 -1.57 0.02 0.00 1.25 0.00 0.00 42.46 42.06 2k3y s ILE 30 CO 0.06 -0.79 0.30 0.86 0.24 0.00 0.00 174.94 175.61 2k3y s TRP 31 N -3.93 -0.13 -0.11 1.37 -0.11 0.06 -1.36 118.94 114.73 2k3y s TRP 31 Ca 0.09 0.09 -0.10 0.00 1.22 0.00 0.00 56.10 57.41 2k3y s TRP 31 Cb 0.07 0.09 0.03 0.00 -1.50 0.00 0.00 33.47 32.16 2k3y s TRP 31 CO -0.08 -0.45 0.29 0.34 -4.62 0.00 0.00 176.95 172.43 2k3y s ASP 32 N -1.74 -0.31 0.00 5.86 -1.08 -1.26 -1.60 116.67 116.56 2k3y s ASP 32 Ca -0.09 0.59 0.10 0.00 -0.52 0.00 0.00 52.55 52.63 2k3y s ASP 32 Cb -0.03 0.58 0.43 0.00 -1.46 0.00 0.00 42.92 42.44 2k3y s ASP 32 CO 0.00 -0.11 1.32 -0.81 0.52 0.00 0.00 175.17 176.09 2k3y n PRO 33 N 3.10 0.00 0.11 4.34 -0.04 -1.25 -2.19 135.00 139.06 2k3y n PRO 33 Ca -0.14 0.33 0.01 0.00 -0.04 0.00 0.00 63.50 63.65 2k3y n PRO 33 Cb 0.57 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.22 0.00 3.54 0.02 -1.94 -3.20 113.55 112.18 2k3y h SER 34 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2k3y h SER 34 Cb 0.17 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k3y h SER 34 CO 0.00 0.49 -0.50 -1.54 -1.14 0.00 0.00 176.83 174.14 2k3y n SER 35 N -4.15 2.51 -3.96 3.07 3.41 -1.24 -5.03 113.62 108.23 2k3y n SER 35 Ca -0.01 -0.22 -0.26 0.00 -0.26 0.00 0.00 58.87 58.12 2k3y n SER 35 Cb 0.37 0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 65.25 2k3y n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k3y n LYS 36 N -1.20 -3.44 -3.90 4.33 5.02 -0.93 -5.00 118.16 113.05 2k3y n LYS 36 Ca 0.00 0.42 -0.10 0.00 -2.02 0.00 0.00 58.31 56.61 2k3y n LYS 36 Cb 0.00 -4.63 -0.09 0.00 -0.02 0.00 0.00 35.03 30.29 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 -6.55 0.63 0.43 1.97 -1.94 -1.26 -4.69 119.30 107.89 2k3y s MET 37 Ca 0.07 -0.70 0.08 0.00 -1.71 0.00 0.00 55.69 53.43 2k3y s MET 37 Cb -0.04 0.25 -0.01 0.00 2.01 0.00 0.00 34.83 37.05 2k3y s MET 37 CO 0.89 -0.17 0.45 1.52 -0.01 0.00 0.00 175.02 177.70 2k3y s TYR 38 N -2.58 2.66 0.04 -0.03 1.13 -1.26 -4.03 117.35 113.29 2k3y s TYR 38 Ca -0.05 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.13 2k3y s TYR 38 Cb -0.01 -2.23 -0.03 0.00 -1.10 0.00 0.00 41.96 38.59 2k3y s TYR 38 CO -0.04 -0.26 -0.04 0.95 -2.51 0.00 0.00 175.55 173.64 2k3y s THR 39 N -2.45 0.29 0.07 -3.49 -4.23 -0.46 -4.07 115.64 101.29 2k3y s THR 39 Ca 0.50 -1.22 -0.16 0.00 -1.18 0.00 0.00 61.69 59.63 2k3y s THR 39 Cb -0.05 -0.72 0.03 0.00 1.34 0.00 0.00 72.50 73.09 2k3y s THR 39 CO 0.30 -0.60 0.37 -0.44 -0.54 0.00 0.00 174.62 173.71 2k3y s SER 40 N -1.92 -0.21 0.09 3.99 0.01 -1.26 -0.57 113.70 113.82 2k3y s SER 40 Ca -0.07 -0.15 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 2k3y s SER 40 Cb -0.05 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2k3y s SER 40 CO -0.03 -0.70 0.20 0.27 0.41 0.00 0.00 173.24 173.40 2k3y s ILE 41 N -2.88 0.14 0.00 1.44 -4.36 -0.90 -1.49 121.20 113.16 2k3y s ILE 41 Ca -0.03 -1.13 -0.03 0.00 -0.26 0.00 0.00 60.65 59.20 2k3y s ILE 41 Cb 0.00 -1.32 -0.15 0.00 1.25 0.00 0.00 42.46 42.24 2k3y s ILE 41 CO -0.05 -0.63 2.78 -0.81 0.24 0.00 0.00 174.94 176.47 2k3y n PRO 42 N -0.06 1.48 0.00 0.37 -0.04 -1.26 -4.44 135.00 131.05 2k3y n PRO 42 Ca -0.15 -0.56 0.14 0.00 -0.04 0.00 0.00 63.50 62.89 2k3y n PRO 42 Cb 0.62 -1.60 0.77 0.00 -0.04 0.00 0.00 33.50 33.25 2k3y n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3y n ASN 43 N 2.16 0.00 -3.63 3.54 5.15 -1.26 -4.80 115.26 116.42 2k3y n ASN 43 Ca 0.24 -0.35 -0.11 0.00 -0.60 0.00 0.00 54.58 53.76 2k3y n ASN 43 Cb 0.69 -0.21 -0.04 0.00 -0.53 0.00 0.00 39.78 39.70 2k3y n ASN 43 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k3y s ASP 44 N -2.41 0.22 -0.48 1.20 2.15 -1.26 -5.03 116.67 111.06 2k3y s ASP 44 Ca 0.32 -1.12 0.04 0.00 0.43 0.00 0.00 52.55 52.22 2k3y s ASP 44 Cb 0.20 0.65 0.16 0.00 -0.30 0.00 0.00 42.92 43.63 2k3y s ASP 44 CO 0.42 -1.26 0.36 -1.59 -0.17 0.00 0.00 175.17 172.92 2k3y s LYS 45 N -3.50 1.29 1.10 4.34 -2.85 -1.26 -1.06 119.74 117.79 2k3y s LYS 45 Ca 0.24 -2.35 -0.12 0.00 -1.00 0.00 0.00 55.97 52.74 2k3y s LYS 45 Cb -0.01 -1.98 0.25 0.00 -2.06 0.00 0.00 37.83 34.03 2k3y s LYS 45 CO 0.13 -1.33 1.06 -1.25 0.10 0.00 0.00 175.35 174.06 2k3y s PRO 46 N -0.21 -0.43 0.61 1.78 0.04 -1.21 -4.83 135.00 130.75 2k3y s PRO 46 Ca 0.28 1.11 0.29 0.00 0.04 0.00 0.00 61.00 62.72 2k3y s PRO 46 Cb -0.03 -1.59 1.54 0.00 0.04 0.00 0.00 34.50 34.46 2k3y s PRO 46 CO -0.16 -3.47 1.93 0.78 0.04 0.00 0.00 177.00 176.12 2k3y h GLY 47 N -2.46 0.00 -1.55 0.56 0.00 -2.00 -1.13 103.07 96.50 2k3y h GLY 47 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2k3y h GLY 47 CO 0.47 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.62 2k3y n GLY 48 N -1.42 1.63 3.00 4.60 0.00 -1.26 -4.97 105.19 106.78 2k3y n GLY 48 Ca 0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.11 0.11 0.51 1.61 0.01 -0.43 -5.04 113.70 109.35 2k3y s SER 49 Ca 0.26 0.51 0.23 0.00 1.31 0.00 0.00 55.95 58.26 2k3y s SER 49 Cb 0.15 0.48 1.31 0.00 0.21 0.00 0.00 66.02 68.18 2k3y s SER 49 CO 0.21 -0.20 1.98 0.28 0.41 0.00 0.00 173.24 175.91 2k3y h SER 50 N 7.76 0.10 -4.68 2.44 0.02 -1.91 -3.20 113.55 114.07 2k3y h SER 50 Ca -0.27 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.75 2k3y h SER 50 Cb 1.13 -0.01 -0.16 0.00 0.14 0.00 0.00 62.40 63.50 2k3y h SER 50 CO 0.26 0.05 0.42 0.00 -1.14 0.00 0.00 176.83 176.41 2k3y s GLN 51 N -5.11 0.91 0.82 3.45 -2.07 -1.26 -4.73 119.66 111.67 2k3y s GLN 51 Ca -0.06 -0.24 -0.12 0.00 -1.82 0.00 0.00 55.36 53.13 2k3y s GLN 51 Cb 0.20 0.42 0.09 0.00 -1.09 0.00 0.00 33.01 32.63 2k3y s GLN 51 CO 0.74 -0.38 1.11 0.00 -1.32 0.00 0.00 175.29 175.45 2k3y s ALA 52 N -2.85 2.18 0.00 2.60 0.00 -0.23 -4.92 121.76 118.55 2k3y s ALA 52 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2k3y s ALA 52 Cb -0.01 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2k3y s ALA 52 CO -0.07 -1.84 0.00 0.25 0.00 0.00 0.00 175.76 174.10 2k3y n THR 53 N -3.49 0.00 -1.90 0.00 -2.24 -1.26 -4.61 114.28 100.78 2k3y n THR 53 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2k3y n THR 53 Cb 0.57 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2k3y n THR 53 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k3y n LYS 54 N -0.91 0.00 -1.68 -0.78 5.02 -1.26 -4.53 118.16 114.02 2k3y n LYS 54 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2k3y n LYS 54 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2k3y n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k3y s GLU 55 N 1.53 2.36 0.16 1.97 2.02 -1.26 -4.07 118.70 121.40 2k3y s GLU 55 Ca 0.00 1.30 -0.30 0.00 0.02 0.00 0.00 54.97 55.99 2k3y s GLU 55 Cb 0.00 -4.51 -0.07 0.00 0.10 0.00 0.00 34.13 29.65 2k3y s GLU 55 CO 0.00 -3.00 1.09 0.42 0.02 0.00 0.00 175.26 173.79 2k3y s ILE 56 N 10.96 3.97 0.32 -1.63 1.01 -0.56 -5.00 121.20 130.28 2k3y s ILE 56 Ca 0.91 1.67 -0.29 0.00 0.00 0.00 0.00 60.65 62.94 2k3y s ILE 56 Cb -0.18 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 2k3y s ILE 56 CO 0.26 0.27 1.21 -0.54 0.00 0.00 0.00 174.94 176.14 2k3y s LYS 57 N -0.22 4.43 0.30 2.79 3.01 -1.26 -4.21 119.74 124.57 2k3y s LYS 57 Ca 0.50 2.00 -0.29 0.00 -1.01 0.00 0.00 55.97 57.17 2k3y s LYS 57 Cb -0.28 -3.06 -0.10 0.00 -1.01 0.00 0.00 37.83 33.37 2k3y s LYS 57 CO 0.34 -0.05 1.20 -1.25 0.51 0.00 0.00 175.35 176.11 2k3y s PRO 58 N -1.72 4.50 0.07 -1.68 0.04 -1.26 -4.94 135.00 130.01 2k3y s PRO 58 Ca 0.48 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.48 2k3y s PRO 58 Cb -0.35 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 2k3y s PRO 58 CO 0.46 0.01 0.08 -1.14 0.04 0.00 0.00 177.00 176.46 2k3y s GLN 59 N -1.59 0.73 0.21 4.56 2.00 -1.26 -4.99 119.66 119.33 2k3y s GLN 59 Ca 0.47 -1.08 -0.31 0.00 -2.00 0.00 0.00 55.36 52.43 2k3y s GLN 59 Cb -0.36 0.28 -0.11 0.00 0.80 0.00 0.00 33.01 33.62 2k3y s GLN 59 CO 0.47 -0.19 1.58 0.21 -0.50 0.00 0.00 175.29 176.86 2k3y s LYS 60 N -3.89 4.19 0.50 1.67 2.47 -1.26 -4.10 119.74 119.32 2k3y s LYS 60 Ca 0.06 2.44 -0.17 0.00 -1.56 0.00 0.00 55.97 56.74 2k3y s LYS 60 Cb 0.06 -3.11 -0.08 0.00 -1.46 0.00 0.00 37.83 33.24 2k3y s LYS 60 CO -0.11 -0.61 0.97 -1.17 0.16 0.00 0.00 175.35 174.59 2k3y s LEU 61 N 0.59 3.68 0.00 5.43 0.20 -1.26 -4.76 118.68 122.55 2k3y s LEU 61 Ca 0.68 1.56 0.00 0.00 0.69 0.00 0.00 54.13 57.06 2k3y s LEU 61 Cb -0.45 -4.48 0.00 0.00 -0.43 0.00 0.00 46.19 40.82 2k3y s LEU 61 CO 0.36 -0.55 0.00 0.61 -0.29 0.00 0.00 176.35 176.49 2k3y n GLY 62 N -1.44 1.84 0.15 7.98 0.00 -1.26 -5.04 105.19 107.41 2k3y n GLY 62 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 0.53 0.00 1.61 5.08 -2.03 -3.45 114.58 116.32 2k3y h GLU 63 Ca 0.00 -0.91 0.00 0.00 -1.00 0.00 0.00 59.36 57.45 2k3y h GLU 63 Cb 0.00 0.34 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2k3y h GLU 63 CO 0.00 1.43 0.00 -3.47 -1.00 0.00 0.00 179.01 175.97 2k3y n ASP 64 N -3.73 0.00 -2.46 1.42 2.03 -1.26 -5.01 116.55 107.54 2k3y n ASP 64 Ca -0.17 -0.98 -0.20 0.00 0.52 0.00 0.00 54.79 53.95 2k3y n ASP 64 Cb 1.10 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.51 2k3y n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3y n GLU 65 N 0.00 2.82 -0.89 -0.67 0.00 -1.26 -5.09 120.64 115.54 2k3y n GLU 65 Ca 0.00 -4.08 -0.30 0.00 0.00 0.00 0.00 57.16 52.78 2k3y n GLU 65 Cb 0.31 -1.98 -0.01 0.00 0.00 0.00 0.00 31.44 29.76 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 -0.44 -1.14 -3.90 -1.84 7.64 -1.26 -4.68 113.62 108.00 2k3y n SER 66 Ca 0.31 0.67 -0.19 0.00 1.01 0.00 0.00 58.87 60.68 2k3y n SER 66 Cb 0.77 -0.61 -0.16 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.79 0.46 0.77 0.44 -4.36 -1.26 -4.85 121.20 111.62 2k3y s ILE 67 Ca 0.41 -0.12 -0.11 0.00 -0.26 0.00 0.00 60.65 60.56 2k3y s ILE 67 Cb -0.55 -0.47 0.06 0.00 1.25 0.00 0.00 42.46 42.75 2k3y s ILE 67 CO 0.38 0.19 1.11 -2.16 0.24 0.00 0.00 174.94 174.70 2k3y s PRO 68 N 0.67 2.14 0.42 0.37 0.04 -1.26 -4.81 135.00 132.57 2k3y s PRO 68 Ca -0.08 1.30 0.22 0.00 0.04 0.00 0.00 61.00 62.47 2k3y s PRO 68 Cb -0.12 -1.87 1.18 0.00 0.04 0.00 0.00 34.50 33.73 2k3y s PRO 68 CO -0.00 -1.75 1.62 0.93 0.04 0.00 0.00 177.00 177.84 2k3y h GLU 69 N -1.01 0.00 -0.15 4.56 3.07 -2.01 -0.89 114.58 118.15 2k3y h GLU 69 Ca -0.44 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.36 2k3y h GLU 69 Cb 1.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 2k3y h GLU 69 CO 0.50 0.00 -0.18 0.93 -1.40 0.00 0.00 179.01 178.86 2k3y h GLU 70 N 0.00 0.24 0.00 2.33 5.08 -2.02 -3.32 114.58 116.89 2k3y h GLU 70 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2k3y h GLU 70 Cb 0.39 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k3y h GLU 70 CO 0.00 0.42 -0.31 0.44 -1.00 0.00 0.00 179.01 178.56 2k3y n ILE 71 N -4.23 0.00 -0.23 3.13 -5.35 -0.38 -4.52 119.36 107.78 2k3y n ILE 71 Ca -0.01 -0.33 0.03 0.00 -0.27 0.00 0.00 62.75 62.17 2k3y n ILE 71 Cb 0.30 0.84 0.15 0.00 -1.74 0.00 0.00 39.64 39.19 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 0.59 0.00 7.28 1.08 -1.57 -2.62 117.51 122.27 2k3y h ILE 72 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2k3y h ILE 72 Cb 0.00 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 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 0.00 -2.22 1.72 0.23 -1.25 -3.96 115.26 104.66 2k3y n ASN 73 Ca 0.12 -1.86 -0.07 0.00 -0.53 0.00 0.00 54.58 52.23 2k3y n ASN 73 Cb 0.39 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 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 0.53 1.82 3.69 4.83 0.00 -0.99 -4.73 105.19 110.34 2k3y n GLY 74 Ca 0.02 -1.33 -0.44 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.36 2.38 -4.14 1.61 4.76 -1.26 -4.12 118.16 117.03 2k3y n LYS 75 Ca -0.03 0.86 -0.13 0.00 -2.87 0.00 0.00 58.31 56.13 2k3y n LYS 75 Cb 0.39 -2.64 -0.11 0.00 -1.84 0.00 0.00 35.03 30.82 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 0.90 1.23 -0.14 4.39 0.01 -0.62 -3.80 113.70 115.67 2k3y s SER 76 Ca 0.75 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2k3y s SER 76 Cb -0.61 0.03 0.06 0.00 0.21 0.00 0.00 66.02 65.71 2k3y s SER 76 CO 0.38 -0.27 0.13 -0.36 0.41 0.00 0.00 173.24 173.52 2k3y s PHE 77 N -2.30 -0.00 -0.02 2.43 0.40 -0.93 -0.76 117.98 116.79 2k3y s PHE 77 Ca 0.02 0.07 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 2k3y s PHE 77 Cb -0.04 -0.50 -0.03 0.00 0.51 0.00 0.00 43.02 42.96 2k3y s PHE 77 CO -0.01 -0.43 0.99 0.12 0.70 0.00 0.00 175.22 176.58 2k3y s PHE 78 N 2.21 3.63 0.08 0.36 5.36 0.51 -1.65 117.98 128.49 2k3y s PHE 78 Ca 0.04 1.68 0.02 0.00 -0.96 0.00 0.00 56.93 57.70 2k3y s PHE 78 Cb -0.15 -3.13 -0.04 0.00 -0.34 0.00 0.00 43.02 39.36 2k3y s PHE 78 CO -0.08 -0.05 -0.06 0.96 -1.46 0.00 0.00 175.22 174.52 2k3y s ILE 79 N 1.21 0.60 -0.25 3.12 -4.36 -0.62 -1.89 121.20 119.01 2k3y s ILE 79 Ca 0.51 -1.69 -0.08 0.00 -0.26 0.00 0.00 60.65 59.13 2k3y s ILE 79 Cb -0.20 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.10 2k3y s ILE 79 CO 0.26 -0.76 0.08 -2.28 0.24 0.00 0.00 174.94 172.48 2k3y s HIS 80 N -3.06 3.09 -0.17 1.37 5.65 -0.52 -3.28 115.29 118.37 2k3y s HIS 80 Ca 0.05 -0.39 -0.29 0.00 0.25 0.00 0.00 55.06 54.68 2k3y s HIS 80 Cb 0.01 -2.24 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 2k3y s HIS 80 CO -0.04 -0.34 1.41 0.71 -0.65 0.00 0.00 174.74 175.82 2k3y s TYR 81 N 1.61 2.52 0.46 3.88 1.51 -1.26 -1.61 117.35 124.46 2k3y s TYR 81 Ca 0.06 0.74 -0.20 0.00 -1.01 0.00 0.00 57.07 56.66 2k3y s TYR 81 Cb -0.15 -3.73 -0.10 0.00 -0.11 0.00 0.00 41.96 37.87 2k3y s TYR 81 CO 0.04 -2.35 0.99 -0.65 -1.11 0.00 0.00 175.55 172.47 2k3y s GLN 82 N 3.90 4.02 -0.16 -0.62 -0.21 -0.18 -2.95 119.66 123.46 2k3y s GLN 82 Ca 0.61 1.22 0.00 0.00 0.02 0.00 0.00 55.36 57.22 2k3y s GLN 82 Cb -0.24 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.63 2k3y s GLN 82 CO 0.21 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 2k3y n GLY 83 N -0.50 0.25 3.32 3.09 0.00 -1.26 -4.63 105.19 105.46 2k3y n GLY 83 Ca 0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.33 1.54 0.74 1.61 0.23 -1.15 -5.15 118.94 115.42 2k3y s TRP 84 Ca 0.00 -1.23 -0.12 0.00 -2.03 0.00 0.00 56.10 52.72 2k3y s TRP 84 Cb 0.00 -0.88 0.04 0.00 0.03 0.00 0.00 33.47 32.66 2k3y s TRP 84 CO 0.00 -0.39 1.10 0.15 0.96 0.00 0.00 176.95 178.78 2k3y s LYS 85 N -3.99 2.38 0.61 4.98 1.02 -1.26 -4.87 119.74 118.61 2k3y s LYS 85 Ca 0.37 1.27 0.40 0.00 0.02 0.00 0.00 55.97 58.03 2k3y s LYS 85 Cb 0.07 -1.91 1.99 0.00 -0.52 0.00 0.00 37.83 37.47 2k3y s LYS 85 CO 0.14 -1.56 2.20 0.66 -0.92 0.00 0.00 175.35 175.88 2k3y h SER 86 N -0.76 0.00 -0.66 2.83 4.64 -2.00 -2.86 113.55 114.73 2k3y h SER 86 Ca -0.45 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.03 2k3y h SER 86 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 2k3y h SER 86 CO 0.52 0.00 0.46 0.28 -0.87 0.00 0.00 176.83 177.22 2k3y h SER 87 N 0.00 0.18 -0.05 4.97 0.02 -2.00 -1.02 113.55 115.65 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 0.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2k3y h SER 87 CO 0.00 0.09 0.00 0.79 -1.14 0.00 0.00 176.83 176.57 2k3y n TRP 88 N -4.42 0.07 -2.03 3.45 7.02 -1.08 -4.81 117.44 115.64 2k3y n TRP 88 Ca 0.13 -0.03 -0.42 0.00 -1.02 0.00 0.00 57.50 56.16 2k3y n TRP 88 Cb 0.60 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.47 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 -1.68 5.74 0.24 -0.99 1.01 -0.39 -4.65 116.67 115.95 2k3y s ASP 89 Ca 0.33 1.00 -0.16 0.00 0.71 0.00 0.00 52.55 54.43 2k3y s ASP 89 Cb 0.16 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.57 2k3y s ASP 89 CO 0.26 -1.89 0.53 -0.70 0.21 0.00 0.00 175.17 173.59 2k3y s GLU 90 N 6.02 1.54 0.09 8.23 2.56 -1.21 -4.99 118.70 130.95 2k3y s GLU 90 Ca 0.75 -1.10 0.02 0.00 0.00 0.00 0.00 54.97 54.64 2k3y s GLU 90 Cb -0.19 0.51 -0.04 0.00 2.00 0.00 0.00 34.13 36.41 2k3y s GLU 90 CO 0.30 -0.66 0.16 -1.58 -0.56 0.00 0.00 175.26 172.92 2k3y s TRP 91 N -3.96 3.35 0.15 5.30 0.52 -1.26 -1.59 118.94 121.45 2k3y s TRP 91 Ca 0.17 0.14 0.07 0.00 0.02 0.00 0.00 56.10 56.49 2k3y s TRP 91 Cb -0.02 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 2k3y s TRP 91 CO 0.05 0.55 -0.15 0.14 0.02 0.00 0.00 176.95 177.56 2k3y s VAL 92 N -1.53 1.55 0.42 4.03 -7.23 -0.66 -4.92 120.40 112.06 2k3y s VAL 92 Ca 0.32 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2k3y s VAL 92 Cb -0.12 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 2k3y s VAL 92 CO 0.25 -0.45 0.66 -0.83 -0.31 0.00 0.00 175.10 174.42 2k3y s GLY 93 N -2.76 1.45 0.00 2.32 0.00 -1.26 -2.19 107.32 104.88 2k3y s GLY 93 Ca 0.14 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.09 2k3y s GLY 93 CO 0.05 -0.70 0.82 2.98 0.00 0.00 0.00 173.10 176.25 2k3y n TYR 94 N -2.03 0.00 0.14 1.90 9.36 -1.25 -0.91 117.16 124.37 2k3y n TYR 94 Ca -0.01 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.31 2k3y n TYR 94 Cb 0.56 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.32 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 -1.94 -3.40 116.42 117.64 2k3y h ASP 95 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2k3y h ASP 95 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k3y h ASP 95 CO 0.00 0.05 -1.07 0.54 -2.88 0.00 0.00 179.24 175.88 2k3y n ARG 96 N -2.84 3.34 -4.15 0.28 1.74 -0.09 -5.00 116.66 109.94 2k3y n ARG 96 Ca 0.01 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 2k3y n ARG 96 Cb 0.57 -1.03 -0.06 0.00 -1.02 0.00 0.00 32.46 30.92 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 -2.02 4.11 -0.05 0.55 2.07 -0.62 -0.96 121.20 124.28 2k3y s ILE 97 Ca -0.01 -1.32 -0.13 0.00 -1.41 0.00 0.00 60.65 57.78 2k3y s ILE 97 Cb 0.00 -3.11 0.02 0.00 0.13 0.00 0.00 42.46 39.50 2k3y s ILE 97 CO 0.04 -0.16 0.31 -0.13 -1.91 0.00 0.00 174.94 173.08 2k3y s ARG 98 N -3.19 0.57 0.43 3.50 0.52 -0.45 -4.48 118.95 115.84 2k3y s ARG 98 Ca 0.30 0.00 -0.25 0.00 -0.52 0.00 0.00 55.73 55.26 2k3y s ARG 98 Cb -0.09 0.26 -0.08 0.00 0.52 0.00 0.00 34.95 35.56 2k3y s ARG 98 CO 0.21 -0.14 1.26 0.00 0.02 0.00 0.00 175.30 176.65 2k3y s ALA 99 N -0.86 3.15 -0.02 2.13 0.00 -1.26 -0.63 121.76 124.27 2k3y s ALA 99 Ca -0.09 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 2k3y s ALA 99 Cb -0.04 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 2k3y s ALA 99 CO 0.03 -0.78 2.00 0.98 0.00 0.00 0.00 175.76 177.99 2k3y n TYR 100 N -0.08 2.41 -3.62 0.00 4.19 0.31 -4.83 117.16 115.54 2k3y n TYR 100 Ca 0.05 -0.29 -0.05 0.00 3.31 0.00 0.00 57.90 60.93 2k3y n TYR 100 Cb 0.45 -2.77 -0.02 0.00 0.49 0.00 0.00 39.34 37.49 2k3y n TYR 100 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2k3y s ASN 101 N 4.92 -0.22 0.55 2.98 2.20 -1.26 -4.35 114.94 119.76 2k3y s ASN 101 Ca 0.91 -0.16 0.24 0.00 -0.94 0.00 0.00 52.86 52.92 2k3y s ASN 101 Cb -0.47 0.35 1.50 0.00 -2.00 0.00 0.00 41.25 40.63 2k3y s ASN 101 CO 0.43 -0.61 2.12 -0.33 -2.94 0.00 0.00 177.10 175.77 2k3y h GLU 102 N 2.00 0.00 -0.20 3.55 4.39 -1.98 -1.03 114.58 121.31 2k3y h GLU 102 Ca -0.22 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 2k3y h GLU 102 Cb 1.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 2k3y h GLU 102 CO 0.28 0.00 -0.09 1.49 -1.16 0.00 0.00 179.01 179.53 2k3y h GLU 103 N 0.00 0.41 0.00 2.33 4.81 -1.97 0.93 114.58 121.09 2k3y h GLU 103 Ca 0.08 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2k3y h GLU 103 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2k3y h GLU 103 CO -0.00 0.70 -0.17 -2.95 -0.73 0.00 0.00 179.01 175.85 2k3y h ASN 104 N 0.11 0.00 -0.10 1.04 7.08 -1.55 -1.63 115.58 120.53 2k3y h ASN 104 Ca 0.05 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.10 2k3y h ASN 104 Cb 0.57 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.80 2k3y h ASN 104 CO 0.03 0.17 -0.54 0.40 -2.08 0.00 0.00 177.43 175.41 2k3y h ILE 105 N 0.00 1.30 -0.69 6.14 1.08 -1.11 0.12 117.51 124.36 2k3y h ILE 105 Ca -0.00 -1.76 -0.02 0.00 -0.39 0.00 0.00 64.86 62.68 2k3y h ILE 105 Cb 0.87 1.70 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 2k3y h ILE 105 CO 0.02 0.56 0.34 0.00 -0.69 0.00 0.00 178.15 178.38 2k3y h ALA 106 N 0.87 0.88 0.25 1.87 0.00 -0.30 0.18 119.26 123.01 2k3y h ALA 106 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k3y h ALA 106 Cb 1.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k3y h ALA 106 CO 0.11 0.44 -0.20 1.98 0.00 0.00 0.00 179.25 181.58 2k3y h MET 107 N 0.95 -0.44 -0.43 0.00 1.85 -1.22 -1.67 114.93 113.97 2k3y h MET 107 Ca 0.24 0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.39 2k3y h MET 107 Cb 0.11 0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.20 2k3y h MET 107 CO -0.03 -0.29 0.22 -0.22 -0.40 0.00 0.00 176.91 176.18 2k3y h LYS 108 N -0.46 0.42 -0.16 0.39 3.64 -0.09 -0.88 116.57 119.44 2k3y h LYS 108 Ca -0.01 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2k3y h LYS 108 Cb 0.41 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2k3y h LYS 108 CO -0.02 0.28 -0.24 1.57 -2.27 0.00 0.00 179.45 178.78 2k3y h LYS 109 N 0.44 0.44 -0.73 1.90 2.10 -0.64 0.22 116.57 120.28 2k3y h LYS 109 Ca 0.19 -0.26 0.14 0.00 -2.00 0.00 0.00 60.65 58.72 2k3y h LYS 109 Cb 0.09 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.40 2k3y h LYS 109 CO -0.13 0.85 0.49 -0.09 -2.00 0.00 0.00 179.45 178.57 2k3y h ARG 110 N 0.07 0.39 0.04 0.07 1.12 -0.99 -0.20 114.38 114.88 2k3y h ARG 110 Ca 0.02 -0.02 -0.23 0.00 -1.11 0.00 0.00 59.98 58.63 2k3y h ARG 110 Cb 0.81 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.66 2k3y h ARG 110 CO 0.05 0.26 -1.22 -0.07 -3.11 0.00 0.00 179.97 175.88 2k3y h LEU 111 N 0.40 0.15 -1.98 3.80 3.38 -0.89 -3.21 115.31 116.96 2k3y h LEU 111 Ca 0.36 -0.71 0.23 0.00 0.09 0.00 0.00 57.88 57.85 2k3y h LEU 111 Cb 0.83 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2k3y h LEU 111 CO -0.11 1.50 0.61 0.00 0.09 0.00 0.00 178.44 180.53 2k3y h ALA 112 N -0.25 2.72 0.45 1.53 0.00 -0.45 0.46 119.26 123.72 2k3y h ALA 112 Ca -0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2k3y h ALA 112 Cb 1.46 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2k3y h ALA 112 CO -0.08 -1.02 -0.22 -0.97 0.00 0.00 0.00 179.25 176.96 2k3y h ASN 113 N 0.00 -0.52 1.37 0.00 -1.24 -1.13 -3.37 115.58 110.70 2k3y h ASN 113 Ca 0.38 -0.09 -0.11 0.00 0.71 0.00 0.00 56.30 57.19 2k3y h ASN 113 Cb 1.60 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 40.77 2k3y h ASN 113 CO -0.00 -0.13 -0.65 1.05 -1.29 0.00 0.00 177.43 176.40 2k3y h GLU 114 N -0.97 0.00 -6.26 6.67 4.11 -1.27 -3.45 114.58 113.40 2k3y h GLU 114 Ca -0.06 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.82 2k3y h GLU 114 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k3y h GLU 114 CO 0.10 0.42 1.12 0.00 0.07 0.00 0.00 179.01 180.72 2k3y s ALA 115 N -2.98 3.53 0.10 1.06 0.00 0.05 -4.89 121.76 118.63 2k3y s ALA 115 Ca 0.03 0.89 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 2k3y s ALA 115 Cb 0.08 -3.78 -0.18 0.00 0.00 0.00 0.00 23.12 19.24 2k3y s ALA 115 CO 0.75 -1.54 1.22 0.78 0.00 0.00 0.00 175.76 176.98 2k3y h GLY 116 N 10.65 0.41 -0.82 0.00 0.00 -1.88 -3.48 103.07 107.94 2k3y h GLY 116 Ca -0.39 -0.85 -0.21 0.00 0.00 0.00 0.00 47.33 45.88 2k3y h GLY 116 CO 0.96 0.75 -0.19 1.44 0.00 0.00 0.00 176.54 179.50 2k3y n SER 117 N -3.67 -4.22 -4.71 0.19 7.64 -1.22 -4.95 113.62 102.68 2k3y n SER 117 Ca -0.08 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 2k3y n SER 117 Cb 0.92 -3.39 -0.03 0.00 -1.01 0.00 0.00 64.21 60.70 2k3y n SER 117 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k3y s THR 118 N -1.77 4.61 0.00 0.44 -4.23 -1.23 -4.90 115.64 108.55 2k3y s THR 118 Ca 0.00 1.89 0.00 0.00 -1.18 0.00 0.00 61.69 62.40 2k3y s THR 118 Cb 0.00 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.63 2k3y s THR 118 CO 0.00 0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 2k3y n GLY 119 N 2.94 -1.81 0.33 3.99 0.00 -1.26 -4.42 105.19 104.96 2k3y n GLY 119 Ca 0.07 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 0.00 0.28 -4.02 1.61 7.64 -1.26 -4.73 113.62 113.14 2k3y n SER 120 Ca 0.00 -0.84 -0.09 0.00 1.01 0.00 0.00 58.87 58.94 2k3y n SER 120 Cb 0.00 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.33 0.30 -1.16 -0.43 0.00 -1.26 -5.06 121.76 112.82 2k3y s ALA 121 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.66 2k3y s ALA 121 Cb 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 2k3y s ALA 121 CO 0.00 -0.57 1.87 -1.25 0.00 0.00 0.00 175.76 175.80 2k3y s PRO 122 N -3.98 2.89 -0.02 0.00 0.04 -1.26 -4.84 135.00 127.82 2k3y s PRO 122 Ca 0.18 -1.22 -0.11 0.00 0.04 0.00 0.00 61.00 59.89 2k3y s PRO 122 Cb 0.05 -5.29 0.02 0.00 0.04 0.00 0.00 34.50 29.32 2k3y s PRO 122 CO -0.01 -3.43 0.24 0.00 0.04 0.00 0.00 177.00 173.85 2k3y s ALA 123 N 9.08 -0.61 -1.46 8.56 0.00 -1.26 -4.98 121.76 131.10 2k3y s ALA 123 Ca 0.64 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 2k3y s ALA 123 Cb -0.01 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.16 2k3y s ALA 123 CO 0.09 -0.22 2.25 2.41 0.00 0.00 0.00 175.76 180.29 2k3y n THR 124 N 1.61 3.60 -0.95 0.00 -1.04 -1.26 -4.87 114.28 111.38 2k3y n THR 124 Ca -0.21 -3.11 -0.24 0.00 -2.04 0.00 0.00 64.05 58.45 2k3y n THR 124 Cb 0.56 -2.59 -0.05 0.00 -1.82 0.00 0.00 70.33 66.43 2k3y n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3y n GLY 125 N 3.93 3.35 2.23 3.41 0.00 -1.26 -4.20 105.19 112.66 2k3y n GLY 125 Ca 0.53 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 3.39 0.42 0.00 -0.02 0.00 -1.26 -3.42 105.19 104.30 2k3y n GLY 126 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.77 0.00 0.00 1.61 3.14 -1.26 -4.29 118.33 114.76 2k3y n VAL 127 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2k3y n VAL 127 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 2k3y n VAL 127 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2k3y n LYS 129 N 0.00 0.00 -0.10 1.45 2.85 -1.26 -4.46 118.16 116.64 2k3y n LYS 129 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2k3y n LYS 129 Cb 0.00 0.00 0.16 0.00 -0.65 0.00 0.00 35.03 34.54 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2k3y n PRO 130 N -0.57 2.39 -3.85 -1.58 -0.04 -1.26 -4.98 135.00 125.11 2k3y n PRO 130 Ca 0.00 -2.10 -0.09 0.00 -0.04 0.00 0.00 63.50 61.26 2k3y n PRO 130 Cb 0.00 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 2k3y n PRO 130 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2k3y s HIS 131 N -1.71 0.11 0.00 0.54 -3.43 -1.26 -4.92 115.29 104.62 2k3y s HIS 131 Ca 0.33 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.11 2k3y s HIS 131 Cb 0.21 -0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 2k3y s HIS 131 CO 0.30 -0.52 0.00 0.54 -2.00 0.00 0.00 174.74 173.07 2k3y n ARG 132 N 0.14 0.00 -1.80 -0.38 5.12 -1.26 -4.88 116.66 113.60 2k3y n ARG 132 Ca -0.16 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.46 2k3y n ARG 132 Cb 0.61 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.97 2k3y n ARG 132 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2k3y s TYR 133 N -0.11 3.25 0.00 -1.55 -0.85 -1.26 -4.50 117.35 112.34 2k3y s TYR 133 Ca 0.00 1.12 0.00 0.00 -0.52 0.00 0.00 57.07 57.67 2k3y s TYR 133 Cb 0.00 -3.03 0.00 0.00 0.38 0.00 0.00 41.96 39.31 2k3y s TYR 133 CO 0.00 -1.24 0.00 -2.13 -1.52 0.00 0.00 175.55 170.66