#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 0.39 0.42 1.12 -7.23 -1.26 -5.08 120.40 108.77 2k3y s VAL 2 Ca 0.00 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2k3y s VAL 2 Cb 0.00 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2k3y s VAL 2 CO 0.00 -0.89 0.00 -0.67 -0.31 0.00 0.00 175.10 173.23 2k3y n ASP 3 N 0.03 -2.98 -0.34 4.85 2.03 -1.26 -4.95 116.55 113.93 2k3y n ASP 3 Ca -0.12 0.79 -0.01 0.00 0.52 0.00 0.00 54.79 55.97 2k3y n ASP 3 Cb 0.61 2.84 0.12 0.00 -0.72 0.00 0.00 41.12 43.97 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 0.99 0.00 -2.67 6.46 -1.98 -1.15 115.31 116.97 2k3y h LEU 4 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2k3y h LEU 4 Cb 0.00 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.70 2k3y h LEU 4 CO 0.00 0.68 0.00 -0.62 -0.62 0.00 0.00 178.44 177.88 2k3y n GLU 5 N -4.50 0.45 0.00 1.25 1.02 -1.26 -1.71 120.64 115.89 2k3y n GLU 5 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2k3y n GLU 5 Cb 0.09 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2k3y n GLU 5 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2k3y n GLN 6 N -0.83 2.49 -2.37 3.49 7.27 -0.49 -4.68 117.38 122.26 2k3y n GLN 6 Ca 0.07 -0.07 -0.26 0.00 0.07 0.00 0.00 57.00 56.81 2k3y n GLN 6 Cb 0.03 -0.40 0.04 0.00 2.41 0.00 0.00 30.24 32.32 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 -0.38 2.74 0.22 3.69 0.41 -0.69 -4.58 118.70 120.11 2k3y s GLU 7 Ca 0.00 -0.10 -0.32 0.00 -0.41 0.00 0.00 54.97 54.14 2k3y s GLU 7 Cb 0.00 -2.26 -0.13 0.00 -1.78 0.00 0.00 34.13 29.96 2k3y s GLU 7 CO 0.00 -0.82 1.53 1.97 -0.49 0.00 0.00 175.26 177.45 2k3y n PHE 8 N -2.64 2.37 -4.55 1.61 1.16 -1.26 -4.76 117.46 109.38 2k3y n PHE 8 Ca 0.05 0.31 -0.25 0.00 -1.87 0.00 0.00 57.45 55.70 2k3y n PHE 8 Cb 0.58 -2.53 -0.17 0.00 -1.61 0.00 0.00 39.48 35.76 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 0.40 1.24 -1.61 1.98 0.00 -1.26 -5.03 121.76 117.48 2k3y s ALA 9 Ca 0.72 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2k3y s ALA 9 Cb -0.62 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 21.92 2k3y s ALA 9 CO 0.44 0.09 0.64 -0.11 0.00 0.00 0.00 175.76 176.82 2k3y n LEU 10 N 3.86 0.00 -1.01 0.00 0.00 -1.26 -1.06 117.00 117.54 2k3y n LEU 10 Ca -0.23 0.16 -0.05 0.00 0.00 0.00 0.00 56.01 55.89 2k3y n LEU 10 Cb 0.52 -0.16 -0.05 0.00 0.00 0.00 0.00 43.42 43.73 2k3y n LEU 10 CO 0.25 -0.16 0.30 0.61 0.00 0.00 0.00 177.39 178.39 2k3y n GLY 11 N -1.14 0.62 1.47 -3.96 0.00 -1.26 -4.33 105.19 96.58 2k3y n GLY 11 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.07 -0.98 3.93 -0.02 0.00 -0.22 -4.97 105.19 102.98 2k3y n GLY 12 Ca -0.20 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 2k3y n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k3y s ARG 13 N -4.01 3.51 0.14 1.61 0.52 -1.26 -3.98 118.95 115.47 2k3y s ARG 13 Ca 0.28 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.42 2k3y s ARG 13 Cb -0.01 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 2k3y s ARG 13 CO 0.20 -0.00 -0.06 0.14 0.02 0.00 0.00 175.30 175.59 2k3y s VAL 14 N -2.50 0.87 -0.00 3.52 -7.23 -0.67 -0.57 120.40 113.81 2k3y s VAL 14 Ca 0.43 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 2k3y s VAL 14 Cb -0.10 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 2k3y s VAL 14 CO 0.40 -0.72 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.58 2k3y s LEU 15 N -3.13 2.05 -0.05 1.32 2.01 0.43 -0.82 118.68 120.50 2k3y s LEU 15 Ca 0.17 -0.27 0.01 0.00 0.01 0.00 0.00 54.13 54.05 2k3y s LEU 15 Cb 0.05 -0.66 0.02 0.00 0.01 0.00 0.00 46.19 45.61 2k3y s LEU 15 CO -0.00 0.14 -0.04 0.00 1.01 0.00 0.00 176.35 177.46 2k3y s ALA 16 N -0.38 0.66 -0.23 4.21 0.00 -0.23 -1.12 121.76 124.67 2k3y s ALA 16 Ca 0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 2k3y s ALA 16 Cb -0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2k3y s ALA 16 CO -0.00 -0.08 0.11 0.12 0.00 0.00 0.00 175.76 175.91 2k3y s PHE 17 N 1.05 3.23 -0.08 0.00 5.36 -0.36 -0.79 117.98 126.39 2k3y s PHE 17 Ca -0.09 0.03 0.19 0.00 -0.96 0.00 0.00 56.93 56.10 2k3y s PHE 17 Cb -0.14 -2.21 -0.29 0.00 -0.34 0.00 0.00 43.02 40.04 2k3y s PHE 17 CO -0.01 -0.02 0.32 0.72 -1.46 0.00 0.00 175.22 174.77 2k3y n HIS 18 N 4.27 0.00 0.00 10.12 8.25 -0.45 -4.80 115.22 132.60 2k3y n HIS 18 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2k3y n HIS 18 Cb 0.52 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 1.52 -0.01 0.19 -1.41 0.00 -1.26 -4.91 105.19 99.30 2k3y n GLY 19 Ca -0.12 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.11 -3.52 1.61 0.13 -1.97 -3.47 132.00 124.89 2k3y h PRO 20 Ca 0.00 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 2k3y h PRO 20 Cb 0.00 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2k3y h PRO 20 CO 0.00 0.51 0.05 -1.17 -0.23 0.00 0.00 178.00 177.16 2k3y s LEU 21 N -8.16 0.45 0.14 1.56 0.20 -1.26 -5.04 118.68 106.57 2k3y s LEU 21 Ca -0.03 -1.27 0.02 0.00 0.69 0.00 0.00 54.13 53.54 2k3y s LEU 21 Cb 0.14 2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 48.05 2k3y s LEU 21 CO 0.75 -1.48 -0.04 0.00 -0.29 0.00 0.00 176.35 175.29 2k3y s MET 22 N -2.77 0.98 0.09 1.98 0.23 -1.26 -1.34 119.30 117.20 2k3y s MET 22 Ca 0.22 -1.44 0.01 0.00 -1.03 0.00 0.00 55.69 53.46 2k3y s MET 22 Cb -0.03 -0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 32.98 2k3y s MET 22 CO 0.15 -0.07 -0.06 0.71 -2.03 0.00 0.00 175.02 173.72 2k3y s TYR 23 N -3.63 0.82 0.41 3.16 2.02 0.03 -4.95 117.35 115.20 2k3y s TYR 23 Ca 0.18 -0.94 -0.23 0.00 -0.37 0.00 0.00 57.07 55.71 2k3y s TYR 23 Cb 0.05 -0.49 -0.09 0.00 -0.40 0.00 0.00 41.96 41.03 2k3y s TYR 23 CO -0.00 -0.19 1.02 -1.21 -1.57 0.00 0.00 175.55 173.59 2k3y s GLU 24 N -3.81 4.16 0.12 -0.62 2.02 -1.26 -1.06 118.70 118.24 2k3y s GLU 24 Ca 0.11 1.39 -0.03 0.00 0.02 0.00 0.00 54.97 56.45 2k3y s GLU 24 Cb 0.06 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 2k3y s GLU 24 CO -0.06 -0.13 0.10 0.00 0.02 0.00 0.00 175.26 175.20 2k3y s ALA 25 N -1.81 0.52 -0.25 5.21 0.00 0.00 -1.23 121.76 124.21 2k3y s ALA 25 Ca 0.59 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2k3y s ALA 25 Cb -0.18 0.73 0.14 0.00 0.00 0.00 0.00 23.12 23.81 2k3y s ALA 25 CO 0.23 -0.50 0.43 0.21 0.00 0.00 0.00 175.76 176.12 2k3y s LYS 26 N -3.99 0.39 0.70 0.00 2.20 -0.66 -1.67 119.74 116.71 2k3y s LYS 26 Ca 0.18 0.70 -0.16 0.00 -0.36 0.00 0.00 55.97 56.32 2k3y s LYS 26 Cb 0.06 -0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.23 2k3y s LYS 26 CO -0.02 -0.58 1.19 -0.89 -0.36 0.00 0.00 175.35 174.69 2k3y n ILE 27 N 5.38 3.73 0.00 5.43 5.41 -1.26 -1.34 119.36 136.72 2k3y n ILE 27 Ca -0.04 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.31 2k3y n ILE 27 Cb 0.50 -1.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 2k3y n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k3y n LEU 28 N -2.18 0.00 -4.07 1.39 -0.00 -0.72 -4.51 117.00 106.91 2k3y n LEU 28 Ca 0.15 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.96 2k3y n LEU 28 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 2k3y n LEU 28 CO 0.48 0.00 -0.45 -0.75 -0.00 0.00 0.00 177.39 176.67 2k3y s LYS 29 N -1.00 0.91 0.13 1.47 2.20 -1.21 -1.36 119.74 120.88 2k3y s LYS 29 Ca 0.00 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 2k3y s LYS 29 Cb 0.00 -0.88 -0.04 0.00 -1.51 0.00 0.00 37.83 35.40 2k3y s LYS 29 CO 0.00 0.24 0.08 0.96 -0.36 0.00 0.00 175.35 176.27 2k3y s ILE 30 N -0.37 0.11 0.01 5.43 -4.36 0.31 -0.31 121.20 122.02 2k3y s ILE 30 Ca 0.04 -1.83 -0.15 0.00 -0.26 0.00 0.00 60.65 58.45 2k3y s ILE 30 Cb -0.05 -1.97 0.02 0.00 1.25 0.00 0.00 42.46 41.71 2k3y s ILE 30 CO -0.00 -0.49 0.31 0.86 0.24 0.00 0.00 174.94 175.87 2k3y s TRP 31 N -4.03 -0.15 -0.13 1.37 -0.11 0.00 -1.07 118.94 114.83 2k3y s TRP 31 Ca 0.22 0.15 -0.13 0.00 1.22 0.00 0.00 56.10 57.55 2k3y s TRP 31 Cb 0.07 0.10 0.03 0.00 -1.50 0.00 0.00 33.47 32.18 2k3y s TRP 31 CO 0.01 -0.45 0.37 0.34 -4.62 0.00 0.00 176.95 172.60 2k3y s ASP 32 N -1.66 -0.37 0.00 5.86 -1.08 -1.25 -1.55 116.67 116.62 2k3y s ASP 32 Ca -0.10 0.68 0.18 0.00 -0.52 0.00 0.00 52.55 52.79 2k3y s ASP 32 Cb -0.03 0.71 1.08 0.00 -1.46 0.00 0.00 42.92 43.22 2k3y s ASP 32 CO 0.01 -0.17 1.49 -0.81 0.52 0.00 0.00 175.17 176.21 2k3y n PRO 33 N 2.70 0.56 0.01 4.34 -0.04 -1.25 -2.31 135.00 139.01 2k3y n PRO 33 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 2k3y n PRO 33 Cb 0.57 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.48 0.00 3.54 0.02 -1.94 -3.34 113.55 112.30 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 0.01 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2k3y h SER 34 CO 0.00 0.66 0.00 -1.20 -1.14 0.00 0.00 176.83 175.15 2k3y n SER 35 N -4.18 0.10 -4.02 3.07 7.64 -1.23 -5.03 113.62 109.97 2k3y n SER 35 Ca 0.00 -0.39 -0.31 0.00 1.01 0.00 0.00 58.87 59.18 2k3y n SER 35 Cb 0.35 0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.36 -1.88 -3.78 1.43 4.01 -0.98 -4.99 118.16 111.61 2k3y n LYS 36 Ca 0.00 0.28 -0.12 0.00 -0.51 0.00 0.00 58.31 57.96 2k3y n LYS 36 Cb 0.03 -3.90 -0.08 0.00 -0.51 0.00 0.00 35.03 30.56 2k3y n LYS 36 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2k3y s MET 37 N -6.82 0.69 0.39 1.97 -1.94 -1.26 -4.76 119.30 107.57 2k3y s MET 37 Ca 0.15 -0.35 0.08 0.00 -1.71 0.00 0.00 55.69 53.86 2k3y s MET 37 Cb -0.07 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 37.06 2k3y s MET 37 CO 0.93 -0.20 0.44 1.52 -0.01 0.00 0.00 175.02 177.70 2k3y s TYR 38 N -1.81 2.86 0.06 -0.03 -0.85 -1.24 -3.96 117.35 112.37 2k3y s TYR 38 Ca -0.10 -0.37 0.02 0.00 -0.52 0.00 0.00 57.07 56.09 2k3y s TYR 38 Cb -0.04 -2.13 -0.03 0.00 0.38 0.00 0.00 41.96 40.14 2k3y s TYR 38 CO 0.01 -0.13 -0.07 0.95 -1.52 0.00 0.00 175.55 174.79 2k3y s THR 39 N -2.34 0.54 0.09 -3.49 -4.23 -0.23 -4.03 115.64 101.94 2k3y s THR 39 Ca 0.48 -1.37 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 2k3y s THR 39 Cb -0.07 -0.96 0.03 0.00 1.34 0.00 0.00 72.50 72.84 2k3y s THR 39 CO 0.30 -0.57 0.35 -0.44 -0.54 0.00 0.00 174.62 173.71 2k3y s SER 40 N -2.08 -0.16 0.05 3.99 0.01 -1.26 -0.53 113.70 113.72 2k3y s SER 40 Ca -0.03 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 2k3y s SER 40 Cb -0.04 0.42 -0.00 0.00 0.21 0.00 0.00 66.02 66.60 2k3y s SER 40 CO -0.02 -0.75 0.16 0.27 0.41 0.00 0.00 173.24 173.31 2k3y s ILE 41 N -3.34 0.13 -0.88 1.44 -4.36 -0.46 -1.59 121.20 112.14 2k3y s ILE 41 Ca 0.00 -1.04 -0.07 0.00 -0.26 0.00 0.00 60.65 59.28 2k3y s ILE 41 Cb 0.01 -1.02 -0.08 0.00 1.25 0.00 0.00 42.46 42.62 2k3y s ILE 41 CO -0.08 -0.57 3.04 -0.81 0.24 0.00 0.00 174.94 176.75 2k3y n PRO 42 N 0.53 3.14 -0.28 0.37 -0.04 -1.08 -4.65 135.00 132.98 2k3y n PRO 42 Ca -0.18 -2.08 0.04 0.00 -0.04 0.00 0.00 63.50 61.24 2k3y n PRO 42 Cb 0.60 -2.42 0.18 0.00 -0.04 0.00 0.00 33.50 31.81 2k3y n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3y h ASN 43 N 3.99 0.55 0.00 3.54 -0.73 -1.88 -0.00 115.58 121.05 2k3y h ASN 43 Ca 0.56 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.79 2k3y h ASN 43 Cb 0.74 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.30 2k3y h ASN 43 CO 1.10 0.29 0.00 -0.67 -0.37 0.00 0.00 177.43 177.78 2k3y n ASP 44 N -4.83 0.00 -4.16 1.15 2.03 -1.26 -4.90 116.55 104.59 2k3y n ASP 44 Ca 0.14 -0.93 -0.30 0.00 0.52 0.00 0.00 54.79 54.22 2k3y n ASP 44 Cb 0.33 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.67 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 -0.97 -2.23 -1.77 -0.67 5.02 -0.01 -4.84 118.16 112.67 2k3y n LYS 45 Ca 0.20 0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 56.36 2k3y n LYS 45 Cb 0.09 -4.24 0.02 0.00 -0.02 0.00 0.00 35.03 30.89 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 -6.95 3.61 0.00 1.97 0.04 -1.26 -1.24 135.00 131.16 2k3y s PRO 46 Ca 0.13 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2k3y s PRO 46 Cb -0.07 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2k3y s PRO 46 CO 0.94 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.51 2k3y n GLY 47 N 0.59 0.05 0.51 0.56 0.00 -1.26 -1.62 105.19 104.01 2k3y n GLY 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2k3y n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3y n GLY 48 N -1.75 0.61 2.29 -0.02 0.00 -0.38 -4.24 105.19 101.70 2k3y n GLY 48 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.51 -3.76 -1.05 1.61 7.64 -0.64 -4.82 113.62 112.10 2k3y n SER 49 Ca 0.00 0.21 0.06 0.00 1.01 0.00 0.00 58.87 60.15 2k3y n SER 49 Cb 0.22 -3.03 0.22 0.00 -1.01 0.00 0.00 64.21 60.61 2k3y n SER 49 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3y n SER 50 N -0.21 3.02 -4.01 6.43 7.64 -0.95 -4.74 113.62 120.80 2k3y n SER 50 Ca -0.08 -2.23 -0.10 0.00 1.01 0.00 0.00 58.87 57.47 2k3y n SER 50 Cb 0.41 -0.43 -0.08 0.00 -1.01 0.00 0.00 64.21 63.10 2k3y n SER 50 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2k3y s GLN 51 N -1.67 1.13 -1.05 1.43 -0.21 -1.13 -4.89 119.66 113.26 2k3y s GLN 51 Ca 0.32 -1.25 -0.09 0.00 0.02 0.00 0.00 55.36 54.35 2k3y s GLN 51 Cb 0.20 0.35 0.09 0.00 1.00 0.00 0.00 33.01 34.64 2k3y s GLN 51 CO 0.16 -0.40 0.34 0.00 -2.12 0.00 0.00 175.29 173.28 2k3y n ALA 52 N -0.20 -1.06 -1.43 6.09 0.00 -1.26 -4.57 120.51 118.08 2k3y n ALA 52 Ca -0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 2k3y n ALA 52 Cb 0.63 -1.99 -0.18 0.00 0.00 0.00 0.00 19.45 17.91 2k3y n ALA 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k3y n THR 53 N -3.52 0.00 -0.66 0.00 -2.24 -1.26 -2.64 114.28 103.96 2k3y n THR 53 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2k3y n THR 53 Cb 0.51 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 6.61 0.00 -1.56 -0.78 5.02 -1.26 -4.18 118.16 122.00 2k3y n LYS 54 Ca 0.64 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.50 2k3y n LYS 54 Cb 0.08 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.05 2k3y n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k3y n GLU 55 N 3.34 1.66 -3.19 1.97 4.71 -1.26 -4.14 120.64 123.73 2k3y n GLU 55 Ca 0.00 0.41 -0.38 0.00 -0.01 0.00 0.00 57.16 57.18 2k3y n GLU 55 Cb 0.00 -3.12 -0.06 0.00 -1.01 0.00 0.00 31.44 27.25 2k3y n GLU 55 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2k3y s ILE 56 N 8.75 4.64 0.37 -3.67 1.01 -0.62 -5.03 121.20 126.65 2k3y s ILE 56 Ca 1.03 1.28 -0.26 0.00 0.00 0.00 0.00 60.65 62.69 2k3y s ILE 56 Cb -0.41 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.05 2k3y s ILE 56 CO 0.36 0.42 1.17 -0.54 0.00 0.00 0.00 174.94 176.36 2k3y s LYS 57 N -1.44 4.19 0.33 2.79 1.02 -1.26 -4.26 119.74 121.12 2k3y s LYS 57 Ca 0.35 1.87 -0.27 0.00 0.02 0.00 0.00 55.97 57.94 2k3y s LYS 57 Cb -0.19 -2.81 -0.09 0.00 -0.52 0.00 0.00 37.83 34.22 2k3y s LYS 57 CO 0.21 -0.21 1.11 -1.25 -0.92 0.00 0.00 175.35 174.29 2k3y s PRO 58 N -2.10 4.40 0.23 -1.68 0.04 -1.26 -4.92 135.00 129.71 2k3y s PRO 58 Ca 0.54 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.38 2k3y s PRO 58 Cb -0.32 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2k3y s PRO 58 CO 0.41 0.00 0.02 -0.65 0.04 0.00 0.00 177.00 176.82 2k3y s GLN 59 N -1.88 1.31 0.22 4.56 -0.21 -1.26 -4.97 119.66 117.43 2k3y s GLN 59 Ca 0.50 -1.67 0.18 0.00 0.02 0.00 0.00 55.36 54.40 2k3y s GLN 59 Cb -0.30 -0.48 0.88 0.00 1.00 0.00 0.00 33.01 34.11 2k3y s GLN 59 CO 0.38 -0.15 1.56 1.17 -2.12 0.00 0.00 175.29 176.14 2k3y n LYS 60 N -0.40 0.12 -0.95 2.91 3.00 -1.26 -3.69 118.16 117.89 2k3y n LYS 60 Ca -0.04 0.50 0.02 0.00 -0.00 0.00 0.00 58.31 58.78 2k3y n LYS 60 Cb 0.64 -1.81 -0.01 0.00 0.00 0.00 0.00 35.03 33.85 2k3y n LYS 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2k3y n LEU 61 N -2.06 -0.96 0.00 3.14 0.00 -1.26 -4.80 117.00 111.06 2k3y n LEU 61 Ca 0.01 1.70 0.00 0.00 0.00 0.00 0.00 56.01 57.72 2k3y n LEU 61 Cb 0.11 -1.59 0.00 0.00 0.00 0.00 0.00 43.42 41.94 2k3y n LEU 61 CO 0.12 -0.64 0.00 0.61 0.00 0.00 0.00 177.39 177.49 2k3y n GLY 62 N -2.39 0.39 2.57 -3.96 0.00 -1.26 -5.08 105.19 95.46 2k3y n GLY 62 Ca -0.01 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 2k3y n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k3y n GLU 63 N 0.00 2.06 -0.19 1.61 1.02 -1.26 -4.90 120.64 118.98 2k3y n GLU 63 Ca 0.00 -3.80 0.00 0.00 -0.02 0.00 0.00 57.16 53.34 2k3y n GLU 63 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 2k3y n GLU 63 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k3y n ASP 64 N -0.19 0.00 -1.31 1.62 2.03 -1.26 -4.82 116.55 112.62 2k3y n ASP 64 Ca 0.22 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.49 2k3y n ASP 64 Cb 0.72 -1.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.14 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 -2.00 1.20 -0.96 -0.67 0.28 -1.26 -4.96 120.64 112.27 2k3y n GLU 65 Ca 0.00 -0.46 -0.33 0.00 -0.16 0.00 0.00 57.16 56.22 2k3y n GLU 65 Cb 0.00 -1.18 -0.02 0.00 1.43 0.00 0.00 31.44 31.67 2k3y n GLU 65 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k3y n SER 66 N 0.52 -0.94 -3.92 -1.84 7.64 -1.26 -4.75 113.62 109.07 2k3y n SER 66 Ca 0.09 0.76 -0.18 0.00 1.01 0.00 0.00 58.87 60.55 2k3y n SER 66 Cb 0.63 -0.65 -0.15 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.72 0.45 0.82 0.44 -4.36 -1.26 -4.94 121.20 111.63 2k3y s ILE 67 Ca 0.44 -0.16 -0.11 0.00 -0.26 0.00 0.00 60.65 60.55 2k3y s ILE 67 Cb -0.62 -0.43 0.08 0.00 1.25 0.00 0.00 42.46 42.74 2k3y s ILE 67 CO 0.39 0.16 1.09 -2.16 0.24 0.00 0.00 174.94 174.66 2k3y s PRO 68 N 0.37 1.88 0.49 0.37 0.04 -1.26 -4.80 135.00 132.07 2k3y s PRO 68 Ca -0.04 0.93 0.28 0.00 0.04 0.00 0.00 61.00 62.21 2k3y s PRO 68 Cb -0.08 -1.87 1.52 0.00 0.04 0.00 0.00 34.50 34.11 2k3y s PRO 68 CO -0.00 -1.84 1.84 0.93 0.04 0.00 0.00 177.00 177.96 2k3y h GLU 69 N -1.26 0.00 0.00 4.56 5.08 -2.01 -1.13 114.58 119.82 2k3y h GLU 69 Ca -0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 2k3y h GLU 69 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k3y h GLU 69 CO 0.54 0.00 -0.24 0.93 -1.00 0.00 0.00 179.01 179.25 2k3y h GLU 70 N 0.00 0.00 0.00 2.33 5.08 -1.99 -3.10 114.58 116.90 2k3y h GLU 70 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3y h GLU 70 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k3y h GLU 70 CO 0.00 0.24 0.00 0.44 -1.00 0.00 0.00 179.01 178.69 2k3y n ILE 71 N -4.06 0.00 0.08 3.13 -5.35 -0.47 -4.48 119.36 108.20 2k3y n ILE 71 Ca -0.02 -0.44 -0.13 0.00 -0.27 0.00 0.00 62.75 61.89 2k3y n ILE 71 Cb 0.30 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 39.14 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 0.01 0.95 0.00 7.28 1.08 -1.51 -3.06 117.51 122.26 2k3y h ILE 72 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2k3y h ILE 72 Cb 0.01 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2k3y h ILE 72 CO 0.00 0.03 0.00 0.59 -0.69 0.00 0.00 178.15 178.08 2k3y n ASN 73 N -5.12 0.00 -3.78 1.72 3.02 -1.17 -3.89 115.26 106.04 2k3y n ASN 73 Ca -0.08 -1.80 -0.14 0.00 -0.03 0.00 0.00 54.58 52.53 2k3y n ASN 73 Cb 0.10 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 2k3y n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k3y s GLY 74 N -1.14 1.49 0.23 7.41 0.00 -1.16 -4.78 107.32 109.37 2k3y s GLY 74 Ca 0.04 -1.60 -0.31 0.00 0.00 0.00 0.00 44.72 42.85 2k3y s GLY 74 CO 0.03 -1.20 1.58 0.54 0.00 0.00 0.00 173.10 174.05 2k3y s LYS 75 N -3.75 4.18 0.06 2.90 -0.14 -1.26 -4.18 119.74 117.55 2k3y s LYS 75 Ca 0.35 2.46 0.02 0.00 -1.36 0.00 0.00 55.97 57.44 2k3y s LYS 75 Cb 0.03 -3.09 -0.03 0.00 -1.68 0.00 0.00 37.83 33.06 2k3y s LYS 75 CO 0.17 -0.60 -0.08 -1.12 -0.76 0.00 0.00 175.35 172.96 2k3y s SER 76 N 0.80 0.99 -0.12 2.83 0.01 -0.60 -3.07 113.70 114.55 2k3y s SER 76 Ca 0.67 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2k3y s SER 76 Cb -0.46 0.05 0.06 0.00 0.21 0.00 0.00 66.02 65.88 2k3y s SER 76 CO 0.38 -0.27 0.15 -0.36 0.41 0.00 0.00 173.24 173.56 2k3y s PHE 77 N -1.98 -0.12 -0.12 2.43 0.08 -1.00 -0.82 117.98 116.46 2k3y s PHE 77 Ca -0.04 0.35 -0.28 0.00 0.12 0.00 0.00 56.93 57.08 2k3y s PHE 77 Cb -0.06 -0.37 -0.01 0.00 -0.57 0.00 0.00 43.02 42.01 2k3y s PHE 77 CO -0.01 -0.37 0.95 0.12 -0.10 0.00 0.00 175.22 175.81 2k3y s PHE 78 N 2.27 3.50 0.08 0.36 5.36 0.57 -1.68 117.98 128.43 2k3y s PHE 78 Ca 0.04 1.51 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 2k3y s PHE 78 Cb -0.13 -3.13 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 2k3y s PHE 78 CO -0.07 -0.21 -0.06 0.96 -1.46 0.00 0.00 175.22 174.38 2k3y s ILE 79 N 1.96 0.58 -0.29 3.12 -4.36 -0.94 -1.75 121.20 119.52 2k3y s ILE 79 Ca 0.46 -1.69 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 2k3y s ILE 79 Cb -0.18 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.12 2k3y s ILE 79 CO 0.17 -0.77 0.19 -2.28 0.24 0.00 0.00 174.94 172.49 2k3y s HIS 80 N -3.09 3.21 -0.10 1.37 5.65 -0.45 -3.60 115.29 118.28 2k3y s HIS 80 Ca 0.05 -0.07 -0.29 0.00 0.25 0.00 0.00 55.06 55.00 2k3y s HIS 80 Cb 0.02 -2.39 -0.04 0.00 -1.18 0.00 0.00 32.58 28.99 2k3y s HIS 80 CO -0.04 -0.25 1.51 0.71 -0.65 0.00 0.00 174.74 176.01 2k3y s TYR 81 N 1.73 2.30 0.31 3.88 2.02 -1.26 -1.66 117.35 124.67 2k3y s TYR 81 Ca 0.07 0.51 -0.15 0.00 -0.37 0.00 0.00 57.07 57.12 2k3y s TYR 81 Cb -0.16 -3.77 -0.09 0.00 -0.40 0.00 0.00 41.96 37.54 2k3y s TYR 81 CO 0.10 -3.02 0.73 -0.65 -1.57 0.00 0.00 175.55 171.14 2k3y s GLN 82 N 3.87 4.02 0.00 -0.62 -0.21 -0.36 -2.96 119.66 123.40 2k3y s GLN 82 Ca 0.66 0.68 0.00 0.00 0.02 0.00 0.00 55.36 56.73 2k3y s GLN 82 Cb -0.29 -2.47 0.00 0.00 1.00 0.00 0.00 33.01 31.25 2k3y s GLN 82 CO 0.24 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 174.00 2k3y n GLY 83 N -0.27 0.25 3.36 3.09 0.00 -1.26 -4.54 105.19 105.81 2k3y n GLY 83 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.57 1.63 0.72 1.61 0.52 -1.15 -5.15 118.94 115.54 2k3y s TRP 84 Ca 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 56.10 54.75 2k3y s TRP 84 Cb 0.00 -0.95 0.03 0.00 -1.15 0.00 0.00 33.47 31.40 2k3y s TRP 84 CO 0.00 -0.37 1.09 0.15 0.02 0.00 0.00 176.95 177.83 2k3y s LYS 85 N -3.90 2.57 0.13 4.98 1.02 -1.26 -4.87 119.74 118.41 2k3y s LYS 85 Ca 0.35 1.18 0.19 0.00 0.02 0.00 0.00 55.97 57.71 2k3y s LYS 85 Cb 0.06 -1.93 0.81 0.00 -0.52 0.00 0.00 37.83 36.24 2k3y s LYS 85 CO 0.16 -1.40 1.60 0.43 -0.92 0.00 0.00 175.35 175.21 2k3y n SER 86 N -3.12 0.33 -0.07 2.83 7.64 -1.26 -2.85 113.62 117.12 2k3y n SER 86 Ca 0.09 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.67 2k3y n SER 86 Cb 0.53 -0.65 0.52 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.33 -0.00 6.43 0.02 -1.99 -1.76 113.55 116.59 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 0.32 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k3y h SER 87 CO 0.00 0.20 0.00 0.79 -1.14 0.00 0.00 176.83 176.68 2k3y n TRP 88 N -4.47 0.00 -1.94 3.45 7.02 -1.13 -4.82 117.44 115.55 2k3y n TRP 88 Ca 0.09 -0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.15 2k3y n TRP 88 Cb 0.37 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.24 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 -1.66 5.74 0.21 -0.99 1.01 -0.66 -4.70 116.67 115.62 2k3y s ASP 89 Ca 0.32 1.29 -0.14 0.00 0.71 0.00 0.00 52.55 54.73 2k3y s ASP 89 Cb 0.15 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.56 2k3y s ASP 89 CO 0.25 -1.83 0.45 -0.70 0.21 0.00 0.00 175.17 173.55 2k3y s GLU 90 N 5.94 1.41 0.05 8.23 2.56 -1.24 -4.99 118.70 130.67 2k3y s GLU 90 Ca 0.82 -1.11 -0.00 0.00 0.00 0.00 0.00 54.97 54.68 2k3y s GLU 90 Cb -0.23 0.47 -0.04 0.00 2.00 0.00 0.00 34.13 36.33 2k3y s GLU 90 CO 0.32 -0.58 0.20 -1.58 -0.56 0.00 0.00 175.26 173.07 2k3y s TRP 91 N -3.96 3.51 0.11 5.30 0.52 -1.26 -2.21 118.94 120.95 2k3y s TRP 91 Ca 0.17 0.26 0.08 0.00 0.02 0.00 0.00 56.10 56.62 2k3y s TRP 91 Cb 0.00 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 2k3y s TRP 91 CO 0.03 0.59 -0.20 0.14 0.02 0.00 0.00 176.95 177.54 2k3y s VAL 92 N -1.48 1.64 0.48 4.03 -7.23 -0.68 -4.93 120.40 112.23 2k3y s VAL 92 Ca 0.34 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 2k3y s VAL 92 Cb -0.13 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2k3y s VAL 92 CO 0.27 -0.12 0.82 -0.83 -0.31 0.00 0.00 175.10 174.93 2k3y s GLY 93 N -2.00 1.65 0.00 2.32 0.00 -1.26 -2.39 107.32 105.65 2k3y s GLY 93 Ca 0.07 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.47 2k3y s GLY 93 CO 0.04 -0.16 0.64 2.98 0.00 0.00 0.00 173.10 176.60 2k3y n TYR 94 N -2.07 0.00 0.23 1.90 9.36 -1.17 -0.89 117.16 124.52 2k3y n TYR 94 Ca 0.02 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.36 2k3y n TYR 94 Cb 0.55 0.00 0.06 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 -1.93 -3.41 116.42 117.64 2k3y h ASP 95 Ca 0.00 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 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 0.03 -1.01 0.54 -2.88 0.00 0.00 179.24 175.91 2k3y n ARG 96 N -2.58 1.72 -3.86 0.28 1.74 -0.07 -4.99 116.66 108.90 2k3y n ARG 96 Ca 0.01 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 2k3y n ARG 96 Cb 0.52 -1.01 -0.03 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 -2.01 5.30 0.02 0.55 2.07 -0.63 -1.23 121.20 125.27 2k3y s ILE 97 Ca -0.00 -0.51 -0.14 0.00 -1.41 0.00 0.00 60.65 58.59 2k3y s ILE 97 Cb 0.00 -3.71 0.02 0.00 0.13 0.00 0.00 42.46 38.90 2k3y s ILE 97 CO 0.01 -0.06 0.31 -0.13 -1.91 0.00 0.00 174.94 173.15 2k3y s ARG 98 N -3.10 0.74 0.65 3.50 0.52 -0.28 -4.47 118.95 116.51 2k3y s ARG 98 Ca 0.36 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 2k3y s ARG 98 Cb -0.11 0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.67 2k3y s ARG 98 CO 0.28 -0.22 1.11 0.00 0.02 0.00 0.00 175.30 176.48 2k3y s ALA 99 N -1.97 2.51 -0.02 2.13 0.00 -1.26 -0.43 121.76 122.74 2k3y s ALA 99 Ca -0.09 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 2k3y s ALA 99 Cb -0.03 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 2k3y s ALA 99 CO 0.00 -1.19 2.00 -0.47 0.00 0.00 0.00 175.76 176.10 2k3y s TYR 100 N -2.33 1.29 0.07 0.00 6.14 0.26 -4.74 117.35 118.04 2k3y s TYR 100 Ca 0.67 -0.25 -0.26 0.00 0.64 0.00 0.00 57.07 57.86 2k3y s TYR 100 Cb -0.20 -4.18 0.09 0.00 0.42 0.00 0.00 41.96 38.09 2k3y s TYR 100 CO 0.40 -5.22 0.78 0.54 0.64 0.00 0.00 175.55 172.69 2k3y s ASN 101 N 5.08 -0.43 0.40 4.32 2.20 -1.26 -4.44 114.94 120.81 2k3y s ASN 101 Ca 0.90 -0.03 0.14 0.00 -0.94 0.00 0.00 52.86 52.93 2k3y s ASN 101 Cb -0.40 0.47 0.98 0.00 -2.00 0.00 0.00 41.25 40.30 2k3y s ASN 101 CO 0.40 -0.77 1.87 -0.08 -2.94 0.00 0.00 177.10 175.58 2k3y h GLU 102 N 2.00 0.50 -0.51 3.55 4.81 -1.94 -0.13 114.58 122.85 2k3y h GLU 102 Ca -0.26 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2k3y h GLU 102 Cb 1.27 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2k3y h GLU 102 CO 0.33 0.33 0.23 1.49 -0.73 0.00 0.00 179.01 180.66 2k3y h GLU 103 N 0.51 0.76 0.00 1.92 4.81 -1.97 0.07 114.58 120.68 2k3y h GLU 103 Ca 0.44 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 2k3y h GLU 103 Cb 0.94 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2k3y h GLU 103 CO -0.18 0.65 -0.46 -0.91 -0.73 0.00 0.00 179.01 177.37 2k3y h ASN 104 N 0.69 0.00 -0.39 1.04 2.35 -1.39 -1.49 115.58 116.39 2k3y h ASN 104 Ca 0.17 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 2k3y h ASN 104 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2k3y h ASN 104 CO -0.02 0.46 -0.27 0.40 -1.65 0.00 0.00 177.43 176.36 2k3y h ILE 105 N 0.00 1.27 -0.69 2.81 1.08 -0.76 0.21 117.51 121.43 2k3y h ILE 105 Ca -0.00 -1.42 -0.02 0.00 -0.39 0.00 0.00 64.86 63.03 2k3y h ILE 105 Cb 1.06 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 2k3y h ILE 105 CO 0.06 0.48 0.37 0.00 -0.69 0.00 0.00 178.15 178.37 2k3y h ALA 106 N 0.92 0.88 0.04 1.87 0.00 -0.55 0.13 119.26 122.55 2k3y h ALA 106 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k3y h ALA 106 Cb 0.83 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k3y h ALA 106 CO 0.07 0.41 -0.05 1.98 0.00 0.00 0.00 179.25 181.66 2k3y h MET 107 N 0.95 -0.11 -0.32 0.00 1.85 -1.09 -1.50 114.93 114.71 2k3y h MET 107 Ca 0.24 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.34 2k3y h MET 107 Cb 0.06 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 2k3y h MET 107 CO -0.04 -0.07 0.20 -0.22 -0.40 0.00 0.00 176.91 176.38 2k3y h LYS 108 N -0.11 0.42 -0.13 0.39 3.64 0.01 -1.24 116.57 119.54 2k3y h LYS 108 Ca 0.01 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 2k3y h LYS 108 Cb 0.12 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2k3y h LYS 108 CO -0.03 0.31 -0.80 -0.22 -2.27 0.00 0.00 179.45 176.43 2k3y h LYS 109 N 0.42 0.78 -0.32 1.90 3.64 -0.71 0.25 116.57 122.53 2k3y h LYS 109 Ca 0.11 -0.66 0.05 0.00 -1.27 0.00 0.00 60.65 58.88 2k3y h LYS 109 Cb -0.02 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2k3y h LYS 109 CO -0.02 1.26 0.05 -0.09 -2.27 0.00 0.00 179.45 178.38 2k3y h ARG 110 N 0.51 0.15 -0.10 1.90 1.12 -1.11 -1.65 114.38 115.19 2k3y h ARG 110 Ca -0.06 -0.01 -0.12 0.00 -1.11 0.00 0.00 59.98 58.68 2k3y h ARG 110 Cb 1.44 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.37 2k3y h ARG 110 CO 0.16 0.10 -0.42 -0.07 -3.11 0.00 0.00 179.97 176.64 2k3y h LEU 111 N 0.15 0.55 -0.82 3.80 3.38 -1.03 -0.78 115.31 120.57 2k3y h LEU 111 Ca 0.15 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k3y h LEU 111 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2k3y h LEU 111 CO -0.21 1.08 0.22 0.00 0.09 0.00 0.00 178.44 179.62 2k3y n ALA 112 N -2.53 0.71 -0.09 1.53 0.00 0.86 -1.04 120.51 119.96 2k3y n ALA 112 Ca -0.08 0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 2k3y n ALA 112 Cb 0.55 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 2k3y n ALA 112 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k3y n ASN 113 N -1.96 2.50 0.15 0.00 5.15 -0.63 -3.06 115.26 117.41 2k3y n ASN 113 Ca -0.01 -0.08 0.02 0.00 -0.60 0.00 0.00 54.58 53.90 2k3y n ASN 113 Cb 0.24 -0.15 0.16 0.00 -0.53 0.00 0.00 39.78 39.50 2k3y n ASN 113 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2k3y h GLU 114 N 0.00 0.00 0.00 1.20 4.39 -0.70 -3.40 114.58 116.07 2k3y h GLU 114 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2k3y h GLU 114 Cb 1.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.29 2k3y h GLU 114 CO -0.05 0.55 0.00 0.00 -1.16 0.00 0.00 179.01 178.35 2k3y n ALA 115 N -2.31 0.02 -0.60 3.43 0.00 -0.21 -5.05 120.51 115.79 2k3y n ALA 115 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k3y n ALA 115 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2k3y n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3y n GLY 116 N 0.00 1.31 0.00 0.00 0.00 -1.16 -4.76 105.19 100.57 2k3y n GLY 116 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2k3y n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k3y n SER 117 N 0.67 0.00 -4.17 1.61 3.41 -1.26 -3.80 113.62 110.08 2k3y n SER 117 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2k3y n SER 117 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2k3y n SER 117 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2k3y s THR 118 N -1.00 0.07 0.00 6.66 -4.23 -1.26 -4.92 115.64 110.95 2k3y s THR 118 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2k3y s THR 118 Cb 0.00 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2k3y s THR 118 CO 0.00 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 2k3y n GLY 119 N -0.16 -2.30 3.67 3.99 0.00 -1.26 -4.96 105.19 104.17 2k3y n GLY 119 Ca -0.03 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 2k3y n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3y s SER 120 N -2.82 3.03 0.05 1.61 0.01 -1.26 -4.98 113.70 109.36 2k3y s SER 120 Ca 0.00 1.88 -0.10 0.00 1.31 0.00 0.00 55.95 59.04 2k3y s SER 120 Cb 0.00 -2.45 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2k3y s SER 120 CO 0.00 -2.98 0.22 0.00 0.41 0.00 0.00 173.24 170.90 2k3y s ALA 121 N -2.72 -0.42 0.00 1.44 0.00 -1.26 -5.03 121.76 113.77 2k3y s ALA 121 Ca 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2k3y s ALA 121 Cb -0.21 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2k3y s ALA 121 CO 0.58 -0.42 1.51 -0.35 0.00 0.00 0.00 175.76 177.08 2k3y n PRO 122 N 0.46 0.85 -3.52 0.00 -0.04 -1.26 -4.78 135.00 126.72 2k3y n PRO 122 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 2k3y n PRO 122 Cb 0.60 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.96 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3y n ALA 123 N 1.35 -0.36 -0.09 0.55 0.00 -1.26 -5.04 120.51 115.66 2k3y n ALA 123 Ca 0.00 -1.30 0.16 0.00 0.00 0.00 0.00 53.44 52.29 2k3y n ALA 123 Cb 0.43 1.05 0.56 0.00 0.00 0.00 0.00 19.45 21.48 2k3y n ALA 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2k3y h THR 124 N 1.83 0.81 0.00 0.00 2.02 -2.04 -3.45 112.91 112.08 2k3y h THR 124 Ca -0.23 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2k3y h THR 124 Cb 0.97 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2k3y h THR 124 CO 0.30 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.86 2k3y n GLY 125 N -1.56 -0.18 2.84 2.16 0.00 -1.26 -4.99 105.19 102.20 2k3y n GLY 125 Ca 0.11 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.17 0.00 -0.02 0.00 -1.26 -4.62 105.19 99.46 2k3y n GLY 126 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.16 0.00 0.00 1.61 0.31 -1.26 -4.23 118.33 112.60 2k3y n VAL 127 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2k3y n VAL 127 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 -5.12 118.16 122.35 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 0.61 0.00 -0.02 0.00 0.00 35.03 35.62 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 -0.35 0.20 -0.20 1.97 -0.05 -1.26 -3.94 135.00 131.36 2k3y n PRO 130 Ca 0.00 0.05 -0.00 0.00 -0.05 0.00 0.00 63.50 63.50 2k3y n PRO 130 Cb 0.00 -1.50 0.08 0.00 -0.05 0.00 0.00 33.50 32.03 2k3y n PRO 130 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2k3y h HIS 131 N 0.00 -0.15 -2.62 0.54 2.76 -2.10 -3.46 115.15 110.12 2k3y h HIS 131 Ca 0.00 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.30 2k3y h HIS 131 Cb 0.34 0.16 -0.11 0.00 1.55 0.00 0.00 27.41 29.35 2k3y h HIS 131 CO 0.00 -0.20 0.36 -0.98 -1.30 0.00 0.00 177.93 175.81 2k3y s ARG 132 N -6.18 1.19 0.14 5.26 1.70 -1.25 -5.19 118.95 114.61 2k3y s ARG 132 Ca -0.14 -0.53 -0.15 0.00 -0.47 0.00 0.00 55.73 54.44 2k3y s ARG 132 Cb 0.19 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 35.08 2k3y s ARG 132 CO 0.73 -0.53 0.39 -0.47 -1.08 0.00 0.00 175.30 174.34 2k3y s TYR 133 N -3.47 -0.09 0.00 5.89 5.04 -1.26 -4.61 117.35 118.85 2k3y s TYR 133 Ca 0.06 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2k3y s TYR 133 Cb -0.02 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.51 2k3y s TYR 133 CO -0.05 -0.73 0.00 2.89 -1.34 0.00 0.00 175.55 176.32