#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 0.40 0.39 1.12 -7.23 -1.26 -5.08 120.40 108.75 2k3y s VAL 2 Ca 0.00 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2k3y s VAL 2 Cb 0.00 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.91 2k3y s VAL 2 CO 0.00 -0.69 0.00 -0.67 -0.31 0.00 0.00 175.10 173.43 2k3y n ASP 3 N 0.78 -2.61 -0.05 4.85 2.03 -1.26 -4.89 116.55 115.40 2k3y n ASP 3 Ca -0.18 0.72 -0.14 0.00 0.52 0.00 0.00 54.79 55.71 2k3y n ASP 3 Cb 0.58 2.52 -0.07 0.00 -0.72 0.00 0.00 41.12 43.43 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 0.54 -1.90 -2.67 5.85 -1.98 -3.01 115.31 112.14 2k3y h LEU 4 Ca 0.00 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.17 2k3y h LEU 4 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2k3y h LEU 4 CO 0.00 0.99 0.08 -0.33 -0.34 0.00 0.00 178.44 178.83 2k3y h GLU 5 N 0.10 0.13 0.00 1.25 5.08 -1.93 -2.25 114.58 116.97 2k3y h GLU 5 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k3y h GLU 5 Cb 0.90 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2k3y h GLU 5 CO 0.07 0.09 0.00 0.37 -1.00 0.00 0.00 179.01 178.53 2k3y h GLN 6 N 0.13 0.00 -6.55 2.33 4.15 -1.74 -3.36 115.11 110.08 2k3y h GLN 6 Ca 0.04 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.94 2k3y h GLN 6 Cb 0.01 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 2k3y h GLN 6 CO -0.01 0.00 -0.04 -1.21 -1.93 0.00 0.00 178.83 175.64 2k3y s GLU 7 N -3.69 3.86 -0.85 1.69 2.02 -0.85 -4.47 118.70 116.41 2k3y s GLU 7 Ca 0.01 0.39 -0.26 0.00 0.02 0.00 0.00 54.97 55.14 2k3y s GLU 7 Cb 0.09 -2.57 -0.17 0.00 0.10 0.00 0.00 34.13 31.59 2k3y s GLU 7 CO 0.51 0.25 2.34 1.97 0.02 0.00 0.00 175.26 180.34 2k3y n PHE 8 N -0.29 1.07 -2.56 1.61 1.16 -1.26 -4.78 117.46 112.41 2k3y n PHE 8 Ca 0.01 -0.05 -0.42 0.00 -1.87 0.00 0.00 57.45 55.13 2k3y n PHE 8 Cb 0.53 -2.55 -0.03 0.00 -1.61 0.00 0.00 39.48 35.82 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 14.94 3.29 -1.19 1.98 0.00 -1.26 -4.91 121.76 134.60 2k3y s ALA 9 Ca 0.91 0.71 0.02 0.00 0.00 0.00 0.00 51.96 53.60 2k3y s ALA 9 Cb -0.13 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.69 2k3y s ALA 9 CO 0.12 -0.32 0.98 1.28 0.00 0.00 0.00 175.76 177.81 2k3y n LEU 10 N 3.81 0.00 -1.32 0.00 4.77 -1.26 -1.31 117.00 121.69 2k3y n LEU 10 Ca 0.07 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.44 2k3y n LEU 10 Cb 0.48 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2k3y n LEU 10 CO 0.54 -0.38 0.23 0.61 -1.33 0.00 0.00 177.39 177.06 2k3y n GLY 11 N -1.22 0.80 0.00 -0.72 0.00 -1.26 -4.17 105.19 98.62 2k3y n GLY 11 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.14 -0.88 3.93 -0.02 0.00 -0.43 -4.99 105.19 102.95 2k3y n GLY 12 Ca -0.12 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.12 3.36 0.11 1.61 0.52 -1.26 -4.27 118.95 117.90 2k3y s ARG 13 Ca 0.00 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 54.58 2k3y s ARG 13 Cb 0.00 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 2k3y s ARG 13 CO 0.00 0.49 -0.12 0.14 0.02 0.00 0.00 175.30 175.83 2k3y s VAL 14 N -1.81 1.15 -0.07 3.52 -7.23 -0.68 -0.64 120.40 114.63 2k3y s VAL 14 Ca 0.34 -1.66 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 2k3y s VAL 14 Cb -0.10 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2k3y s VAL 14 CO 0.28 -0.47 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.66 2k3y s LEU 15 N -2.42 1.86 -0.14 1.32 1.43 0.22 -0.50 118.68 120.46 2k3y s LEU 15 Ca 0.07 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2k3y s LEU 15 Cb -0.04 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2k3y s LEU 15 CO 0.02 0.11 -0.16 0.00 0.23 0.00 0.00 176.35 176.55 2k3y s ALA 16 N 0.37 1.93 -0.23 4.21 0.00 -0.51 -1.35 121.76 126.18 2k3y s ALA 16 Ca -0.13 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 2k3y s ALA 16 Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 2k3y s ALA 16 CO 0.05 -0.28 0.19 0.12 0.00 0.00 0.00 175.76 175.84 2k3y s PHE 17 N 1.29 3.33 -0.13 0.00 5.36 -0.48 -1.20 117.98 126.16 2k3y s PHE 17 Ca 0.02 0.29 0.19 0.00 -0.96 0.00 0.00 56.93 56.47 2k3y s PHE 17 Cb -0.13 -2.30 -0.27 0.00 -0.34 0.00 0.00 43.02 39.97 2k3y s PHE 17 CO -0.08 0.06 0.31 0.72 -1.46 0.00 0.00 175.22 174.76 2k3y n HIS 18 N 4.29 0.11 0.00 10.12 8.25 -0.11 -4.77 115.22 133.11 2k3y n HIS 18 Ca -0.14 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2k3y n HIS 18 Cb 0.52 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 1.17 0.17 -1.41 0.00 -1.26 -4.89 105.19 100.49 2k3y n GLY 19 Ca -0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 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 0.24 -3.72 1.61 0.13 -1.91 -3.48 132.00 124.87 2k3y h PRO 20 Ca 0.00 -0.15 -0.19 0.00 -0.87 0.00 0.00 66.00 64.79 2k3y h PRO 20 Cb 0.00 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.10 2k3y h PRO 20 CO 0.00 0.73 -0.02 -1.17 -0.23 0.00 0.00 178.00 177.31 2k3y s LEU 21 N -8.00 0.66 0.02 1.56 0.20 -1.26 -4.90 118.68 106.96 2k3y s LEU 21 Ca -0.04 -1.37 -0.05 0.00 0.69 0.00 0.00 54.13 53.36 2k3y s LEU 21 Cb 0.12 1.98 -0.01 0.00 -0.43 0.00 0.00 46.19 47.85 2k3y s LEU 21 CO 0.79 -1.45 0.08 -0.32 -0.29 0.00 0.00 176.35 175.16 2k3y s MET 22 N -2.75 0.47 0.07 1.98 -2.45 -1.26 -0.93 119.30 114.42 2k3y s MET 22 Ca 0.25 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.13 2k3y s MET 22 Cb -0.02 0.18 -0.04 0.00 1.25 0.00 0.00 34.83 36.20 2k3y s MET 22 CO 0.17 -0.11 -0.05 0.71 1.05 0.00 0.00 175.02 176.80 2k3y s TYR 23 N -1.77 0.69 0.29 4.11 2.02 -0.34 -4.96 117.35 117.40 2k3y s TYR 23 Ca -0.12 -0.99 -0.29 0.00 -0.37 0.00 0.00 57.07 55.30 2k3y s TYR 23 Cb -0.06 -0.45 -0.09 0.00 -0.40 0.00 0.00 41.96 40.96 2k3y s TYR 23 CO -0.01 -0.27 1.07 -1.21 -1.57 0.00 0.00 175.55 173.56 2k3y s GLU 24 N -3.84 4.61 0.08 -0.62 8.01 -1.26 -1.43 118.70 124.25 2k3y s GLU 24 Ca 0.09 1.71 -0.00 0.00 0.01 0.00 0.00 54.97 56.78 2k3y s GLU 24 Cb 0.06 -3.12 -0.04 0.00 -4.31 0.00 0.00 34.13 26.73 2k3y s GLU 24 CO -0.07 0.22 -0.03 0.00 0.01 0.00 0.00 175.26 175.38 2k3y s ALA 25 N -1.23 0.71 -0.27 5.21 0.00 0.35 -0.94 121.76 125.58 2k3y s ALA 25 Ca 0.46 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2k3y s ALA 25 Cb -0.30 0.30 0.13 0.00 0.00 0.00 0.00 23.12 23.25 2k3y s ALA 25 CO 0.38 -0.34 0.30 0.21 0.00 0.00 0.00 175.76 176.30 2k3y s LYS 26 N -3.91 0.30 0.64 0.00 2.20 -0.56 -1.69 119.74 116.73 2k3y s LYS 26 Ca 0.10 0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 55.57 2k3y s LYS 26 Cb 0.07 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.64 2k3y s LYS 26 CO -0.07 -0.90 1.13 -0.89 -0.36 0.00 0.00 175.35 174.26 2k3y n ILE 27 N 5.32 4.31 0.00 5.43 5.41 -1.26 -1.40 119.36 137.18 2k3y n ILE 27 Ca -0.03 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.23 2k3y n ILE 27 Cb 0.48 -1.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 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 -1.47 0.00 -4.16 1.39 -0.00 -0.83 -4.46 117.00 107.48 2k3y n LEU 28 Ca 0.15 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.91 2k3y n LEU 28 Cb 0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.74 2k3y n LEU 28 CO 0.48 0.00 -0.50 -0.75 -0.00 0.00 0.00 177.39 176.62 2k3y s LYS 29 N -0.43 1.51 0.06 1.47 2.20 -1.22 -1.23 119.74 122.10 2k3y s LYS 29 Ca 0.00 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 54.99 2k3y s LYS 29 Cb 0.00 -1.41 -0.04 0.00 -1.51 0.00 0.00 37.83 34.87 2k3y s LYS 29 CO 0.00 0.34 -0.03 0.96 -0.36 0.00 0.00 175.35 176.26 2k3y s ILE 30 N -0.28 0.25 0.00 5.43 -4.36 0.40 -0.36 121.20 122.29 2k3y s ILE 30 Ca 0.04 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.49 2k3y s ILE 30 Cb -0.08 -1.58 0.01 0.00 1.25 0.00 0.00 42.46 42.06 2k3y s ILE 30 CO 0.00 -0.94 0.23 0.86 0.24 0.00 0.00 174.94 175.33 2k3y s TRP 31 N -3.91 -0.06 -0.11 1.37 -0.11 0.04 -1.38 118.94 114.79 2k3y s TRP 31 Ca 0.09 0.01 -0.14 0.00 1.22 0.00 0.00 56.10 57.28 2k3y s TRP 31 Cb 0.08 0.02 0.03 0.00 -1.50 0.00 0.00 33.47 32.11 2k3y s TRP 31 CO -0.09 -0.37 0.37 0.34 -4.62 0.00 0.00 176.95 172.59 2k3y s ASP 32 N -1.53 -0.36 0.08 5.86 -1.08 -1.26 -1.59 116.67 116.80 2k3y s ASP 32 Ca -0.12 0.61 0.14 0.00 -0.52 0.00 0.00 52.55 52.66 2k3y s ASP 32 Cb -0.05 0.67 0.61 0.00 -1.46 0.00 0.00 42.92 42.68 2k3y s ASP 32 CO 0.01 -0.21 1.43 -0.81 0.52 0.00 0.00 175.17 176.11 2k3y n PRO 33 N 2.47 0.05 -0.02 4.34 -0.04 -1.25 -2.72 135.00 137.83 2k3y n PRO 33 Ca -0.15 0.38 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 2k3y n PRO 33 Cb 0.57 -1.62 0.28 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.53 0.00 3.54 0.02 -1.94 -3.09 113.55 112.62 2k3y h SER 34 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2k3y h SER 34 Cb 0.20 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2k3y h SER 34 CO 0.00 0.60 0.00 -1.20 -1.14 0.00 0.00 176.83 175.09 2k3y n SER 35 N -4.28 0.28 -4.13 3.07 7.64 -1.25 -5.01 113.62 109.94 2k3y n SER 35 Ca 0.02 -0.64 -0.28 0.00 1.01 0.00 0.00 58.87 58.98 2k3y n SER 35 Cb 0.25 0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 64.08 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 -0.69 -2.21 -3.83 1.43 5.02 -1.10 -4.98 118.16 111.79 2k3y n LYS 36 Ca 0.00 0.26 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 2k3y n LYS 36 Cb 0.00 -4.14 -0.10 0.00 -0.02 0.00 0.00 35.03 30.77 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 -6.94 0.47 0.58 1.97 -1.94 -1.26 -4.85 119.30 107.34 2k3y s MET 37 Ca 0.04 -0.21 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 2k3y s MET 37 Cb -0.02 0.20 0.06 0.00 2.01 0.00 0.00 34.83 37.08 2k3y s MET 37 CO 0.94 -0.11 0.80 1.52 -0.01 0.00 0.00 175.02 178.16 2k3y s TYR 38 N -1.06 2.32 -0.02 -0.03 1.13 -1.26 -4.20 117.35 114.23 2k3y s TYR 38 Ca -0.11 -0.24 -0.06 0.00 -1.41 0.00 0.00 57.07 55.25 2k3y s TYR 38 Cb -0.06 -2.69 0.01 0.00 -1.10 0.00 0.00 41.96 38.12 2k3y s TYR 38 CO 0.02 -1.06 0.13 0.95 -2.51 0.00 0.00 175.55 173.07 2k3y s THR 39 N -2.79 0.05 0.05 -3.49 -4.23 -0.48 -4.07 115.64 100.68 2k3y s THR 39 Ca 0.60 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.66 2k3y s THR 39 Cb -0.08 -0.32 -0.02 0.00 1.34 0.00 0.00 72.50 73.42 2k3y s THR 39 CO 0.39 -0.22 0.08 -0.44 -0.54 0.00 0.00 174.62 173.89 2k3y s SER 40 N -0.73 0.25 0.10 3.99 0.01 -1.26 -0.45 113.70 115.61 2k3y s SER 40 Ca -0.08 -0.68 0.05 0.00 1.31 0.00 0.00 55.95 56.55 2k3y s SER 40 Cb -0.05 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 2k3y s SER 40 CO 0.01 -0.58 -0.13 0.27 0.41 0.00 0.00 173.24 173.22 2k3y s ILE 41 N -3.19 1.21 -0.24 1.44 -4.36 -0.37 -1.01 121.20 114.69 2k3y s ILE 41 Ca 0.00 -1.60 -0.01 0.00 -0.26 0.00 0.00 60.65 58.77 2k3y s ILE 41 Cb 0.02 -1.39 0.12 0.00 1.25 0.00 0.00 42.46 42.46 2k3y s ILE 41 CO -0.07 -0.39 2.20 -0.81 0.24 0.00 0.00 174.94 176.10 2k3y n PRO 42 N 0.72 1.69 0.18 0.37 -0.04 -1.25 -4.44 135.00 132.24 2k3y n PRO 42 Ca -0.17 -1.25 0.14 0.00 -0.04 0.00 0.00 63.50 62.18 2k3y n PRO 42 Cb 0.56 -1.55 0.62 0.00 -0.04 0.00 0.00 33.50 33.09 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 1.63 0.00 -5.57 3.54 -0.73 -1.93 -3.45 115.58 109.07 2k3y h ASN 43 Ca 0.23 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 58.10 2k3y h ASN 43 Cb 0.95 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.45 2k3y h ASN 43 CO 0.56 0.00 -0.22 -0.62 -0.37 0.00 0.00 177.43 176.78 2k3y s ASP 44 N -4.48 1.02 -0.58 1.15 -1.08 -1.26 -5.08 116.67 106.36 2k3y s ASP 44 Ca 0.01 -1.53 0.06 0.00 -0.52 0.00 0.00 52.55 50.57 2k3y s ASP 44 Cb 0.09 0.66 0.23 0.00 -1.46 0.00 0.00 42.92 42.43 2k3y s ASP 44 CO 0.36 -1.28 0.63 0.29 0.52 0.00 0.00 175.17 175.68 2k3y n LYS 45 N -0.58 1.86 -1.34 4.34 5.02 -1.26 -4.72 118.16 121.48 2k3y n LYS 45 Ca 0.02 -4.23 -0.30 0.00 -2.02 0.00 0.00 58.31 51.78 2k3y n LYS 45 Cb 0.62 -1.99 0.11 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.86 1.78 0.57 1.97 0.04 -1.26 -4.92 135.00 131.32 2k3y s PRO 46 Ca 0.36 0.84 0.27 0.00 0.04 0.00 0.00 61.00 62.50 2k3y s PRO 46 Cb 0.11 -1.87 1.67 0.00 0.04 0.00 0.00 34.50 34.46 2k3y s PRO 46 CO -0.07 -1.89 2.20 0.78 0.04 0.00 0.00 177.00 178.06 2k3y h GLY 47 N -1.29 0.00 2.00 0.56 0.00 -1.94 -1.16 103.07 101.24 2k3y h GLY 47 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2k3y h GLY 47 CO 0.55 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.76 2k3y h GLY 48 N 0.00 0.00 -1.02 4.60 0.00 -1.88 -3.46 103.07 101.31 2k3y h GLY 48 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.12 2k3y h GLY 48 CO -0.00 0.00 -0.21 1.44 0.00 0.00 0.00 176.54 177.77 2k3y n SER 49 N -3.02 -3.94 0.18 0.19 7.64 -0.44 -4.89 113.62 109.35 2k3y n SER 49 Ca -0.02 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 60.00 2k3y n SER 49 Cb 0.11 -3.35 -0.07 0.00 -1.01 0.00 0.00 64.21 59.89 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 0.00 -0.68 -4.84 6.43 0.02 -1.90 -3.46 113.55 109.11 2k3y h SER 50 Ca -0.24 0.06 0.27 0.00 -0.84 0.00 0.00 61.79 61.04 2k3y h SER 50 Cb 0.90 0.23 -0.16 0.00 0.14 0.00 0.00 62.40 63.52 2k3y h SER 50 CO 0.35 -0.38 0.79 -1.10 -1.14 0.00 0.00 176.83 175.35 2k3y s GLN 51 N -6.07 0.40 -0.50 3.45 -0.21 -1.26 -5.09 119.66 110.38 2k3y s GLN 51 Ca -0.16 -0.18 0.06 0.00 0.02 0.00 0.00 55.36 55.10 2k3y s GLN 51 Cb 0.06 0.16 0.21 0.00 1.00 0.00 0.00 33.01 34.45 2k3y s GLN 51 CO 0.64 -0.18 0.82 0.00 -2.12 0.00 0.00 175.29 174.45 2k3y n ALA 52 N -0.25 -1.79 -1.01 6.09 0.00 -1.26 -4.82 120.51 117.46 2k3y n ALA 52 Ca -0.03 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.27 2k3y n ALA 52 Cb 0.60 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 2.35 0.00 0.00 0.00 -2.24 -1.26 -4.92 114.28 108.21 2k3y n THR 53 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2k3y n THR 53 Cb 0.60 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 2k3y n THR 53 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k3y n LYS 54 N -1.17 0.00 -1.57 -0.78 4.81 -1.26 -4.81 118.16 113.38 2k3y n LYS 54 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 2k3y n LYS 54 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 2k3y n LYS 54 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k3y n GLU 55 N 0.00 1.62 -2.44 1.64 1.02 -1.26 -3.77 120.64 117.44 2k3y n GLU 55 Ca 0.00 0.37 -0.40 0.00 -0.02 0.00 0.00 57.16 57.11 2k3y n GLU 55 Cb 0.00 -3.18 -0.04 0.00 -0.02 0.00 0.00 31.44 28.20 2k3y n GLU 55 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k3y s ILE 56 N 9.19 3.44 0.21 -3.67 1.01 -0.18 -4.96 121.20 126.24 2k3y s ILE 56 Ca 1.02 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 62.80 2k3y s ILE 56 Cb -0.37 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 2k3y s ILE 56 CO 0.35 0.33 1.37 -0.54 0.00 0.00 0.00 174.94 176.45 2k3y s LYS 57 N -1.36 4.34 0.11 2.79 -0.14 -1.26 -4.17 119.74 120.04 2k3y s LYS 57 Ca 0.45 2.15 -0.31 0.00 -1.36 0.00 0.00 55.97 56.91 2k3y s LYS 57 Cb -0.32 -3.17 -0.07 0.00 -1.68 0.00 0.00 37.83 32.58 2k3y s LYS 57 CO 0.41 -0.34 1.34 -1.25 -0.76 0.00 0.00 175.35 174.75 2k3y s PRO 58 N -0.06 4.35 0.14 -1.68 0.04 -1.26 -4.88 135.00 131.65 2k3y s PRO 58 Ca 0.59 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 2k3y s PRO 58 Cb -0.39 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2k3y s PRO 58 CO 0.39 -0.37 0.07 -0.65 0.04 0.00 0.00 177.00 176.48 2k3y s GLN 59 N 0.95 0.95 0.62 4.56 -0.21 -1.26 -4.98 119.66 120.30 2k3y s GLN 59 Ca 0.62 -1.44 -0.18 0.00 0.02 0.00 0.00 55.36 54.38 2k3y s GLN 59 Cb -0.35 0.25 -0.02 0.00 1.00 0.00 0.00 33.01 33.88 2k3y s GLN 59 CO 0.31 -0.28 1.24 0.15 -2.12 0.00 0.00 175.29 174.59 2k3y s LYS 60 N -4.05 2.80 0.05 2.91 -0.14 -1.26 -4.04 119.74 116.01 2k3y s LYS 60 Ca 0.25 1.90 0.06 0.00 -1.36 0.00 0.00 55.97 56.82 2k3y s LYS 60 Cb 0.07 -1.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.29 2k3y s LYS 60 CO 0.02 -1.36 -0.14 -1.17 -0.76 0.00 0.00 175.35 171.94 2k3y s LEU 61 N -4.22 2.82 0.00 3.17 0.20 -1.26 -4.86 118.68 114.52 2k3y s LEU 61 Ca 0.79 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 55.23 2k3y s LEU 61 Cb -0.33 -1.65 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 2k3y s LEU 61 CO 0.36 0.24 0.00 0.61 -0.29 0.00 0.00 176.35 177.26 2k3y n GLY 62 N 1.30 1.40 0.17 7.98 0.00 -1.26 -4.95 105.19 109.82 2k3y n GLY 62 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.28 0.00 1.61 4.39 -2.00 -3.44 114.58 115.42 2k3y h GLU 63 Ca 0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2k3y h GLU 63 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2k3y h GLU 63 CO 0.00 0.81 0.00 -3.47 -1.16 0.00 0.00 179.01 175.19 2k3y n ASP 64 N -3.87 0.00 -1.39 1.42 2.03 -1.26 -4.98 116.55 108.50 2k3y n ASP 64 Ca -0.03 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.25 2k3y n ASP 64 Cb 0.63 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.04 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 -0.49 1.16 -0.85 -0.67 0.00 -1.26 -4.97 120.64 113.55 2k3y n GLU 65 Ca 0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 57.16 56.55 2k3y n GLU 65 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 31.44 30.30 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 0.86 -1.44 -4.00 -1.84 7.64 -1.26 -4.58 113.62 109.00 2k3y n SER 66 Ca 0.06 0.59 -0.20 0.00 1.01 0.00 0.00 58.87 60.34 2k3y n SER 66 Cb 0.56 -0.58 -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 -0.90 0.75 0.78 0.44 -4.36 -1.26 -4.92 121.20 111.72 2k3y s ILE 67 Ca 0.39 -0.35 -0.11 0.00 -0.26 0.00 0.00 60.65 60.32 2k3y s ILE 67 Cb -0.48 -0.67 0.06 0.00 1.25 0.00 0.00 42.46 42.63 2k3y s ILE 67 CO 0.38 0.23 1.09 -2.16 0.24 0.00 0.00 174.94 174.72 2k3y s PRO 68 N 0.15 2.22 0.18 0.37 0.04 -1.26 -4.85 135.00 131.84 2k3y s PRO 68 Ca -0.02 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.17 2k3y s PRO 68 Cb -0.08 -1.90 0.55 0.00 0.04 0.00 0.00 34.50 33.11 2k3y s PRO 68 CO 0.00 -1.64 1.25 0.39 0.04 0.00 0.00 177.00 177.05 2k3y n GLU 69 N -3.50 0.07 0.17 4.56 1.02 -1.26 -1.74 120.64 119.96 2k3y n GLU 69 Ca 0.08 0.53 0.02 0.00 -0.02 0.00 0.00 57.16 57.77 2k3y n GLU 69 Cb 0.54 -1.82 0.31 0.00 -0.02 0.00 0.00 31.44 30.45 2k3y n GLU 69 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k3y h GLU 70 N 0.00 0.00 0.00 3.49 5.08 -2.02 -3.33 114.58 117.80 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 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k3y h GLU 70 CO 0.00 0.43 0.00 0.44 -1.00 0.00 0.00 179.01 178.88 2k3y n ILE 71 N -4.00 0.00 -0.20 3.13 -5.35 -0.71 -4.52 119.36 107.72 2k3y n ILE 71 Ca -0.02 -0.47 -0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2k3y n ILE 71 Cb 0.46 1.00 0.10 0.00 -1.74 0.00 0.00 39.64 39.47 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 -0.04 7.28 1.08 -1.63 -2.72 117.51 122.25 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 0.00 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.09 2k3y h ILE 72 CO 0.00 0.07 0.00 -0.46 -0.69 0.00 0.00 178.15 177.07 2k3y n ASN 73 N -5.02 0.23 -3.15 1.72 0.23 -1.25 -3.87 115.26 104.16 2k3y n ASN 73 Ca 0.08 -1.85 -0.14 0.00 -0.53 0.00 0.00 54.58 52.14 2k3y n ASN 73 Cb 0.27 -0.03 -0.03 0.00 -2.08 0.00 0.00 39.78 37.92 2k3y n ASN 73 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2k3y s GLY 74 N -1.16 1.37 0.16 4.83 0.00 -1.02 -4.73 107.32 106.77 2k3y s GLY 74 Ca 0.10 -1.43 -0.32 0.00 0.00 0.00 0.00 44.72 43.07 2k3y s GLY 74 CO 0.08 -0.91 1.56 0.54 0.00 0.00 0.00 173.10 174.37 2k3y s LYS 75 N -2.88 4.22 0.04 2.90 -0.14 -1.26 -4.21 119.74 118.40 2k3y s LYS 75 Ca 0.28 2.36 0.02 0.00 -1.36 0.00 0.00 55.97 57.27 2k3y s LYS 75 Cb -0.01 -3.16 -0.03 0.00 -1.68 0.00 0.00 37.83 32.96 2k3y s LYS 75 CO 0.20 -0.60 -0.07 -1.12 -0.76 0.00 0.00 175.35 173.00 2k3y s SER 76 N 1.15 0.75 -0.10 2.83 0.01 -0.62 -3.72 113.70 113.99 2k3y s SER 76 Ca 0.70 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2k3y s SER 76 Cb -0.44 0.06 0.04 0.00 0.21 0.00 0.00 66.02 65.90 2k3y s SER 76 CO 0.31 -0.26 0.07 -0.36 0.41 0.00 0.00 173.24 173.42 2k3y s PHE 77 N -1.67 0.14 -0.04 2.43 0.08 -1.02 -0.78 117.98 117.12 2k3y s PHE 77 Ca -0.09 -0.01 -0.27 0.00 0.12 0.00 0.00 56.93 56.68 2k3y s PHE 77 Cb -0.08 -0.58 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 2k3y s PHE 77 CO -0.01 -0.34 0.87 0.12 -0.10 0.00 0.00 175.22 175.76 2k3y s PHE 78 N 2.15 3.61 0.06 0.36 5.36 0.52 -1.65 117.98 128.39 2k3y s PHE 78 Ca 0.04 1.50 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2k3y s PHE 78 Cb -0.14 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.51 2k3y s PHE 78 CO -0.06 0.01 -0.06 0.96 -1.46 0.00 0.00 175.22 174.62 2k3y s ILE 79 N 1.01 0.46 -0.28 3.12 -4.36 -0.87 -1.97 121.20 118.31 2k3y s ILE 79 Ca 0.46 -1.51 -0.10 0.00 -0.26 0.00 0.00 60.65 59.23 2k3y s ILE 79 Cb -0.19 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 2k3y s ILE 79 CO 0.23 -0.71 0.16 -2.28 0.24 0.00 0.00 174.94 172.58 2k3y s HIS 80 N -2.73 3.18 -0.18 1.37 5.65 -0.49 -3.47 115.29 118.61 2k3y s HIS 80 Ca 0.00 -0.08 -0.29 0.00 0.25 0.00 0.00 55.06 54.94 2k3y s HIS 80 Cb -0.01 -2.34 -0.03 0.00 -1.18 0.00 0.00 32.58 29.02 2k3y s HIS 80 CO -0.04 -0.24 1.51 0.71 -0.65 0.00 0.00 174.74 176.03 2k3y s TYR 81 N 1.71 2.31 0.38 3.88 2.02 -1.26 -1.49 117.35 124.90 2k3y s TYR 81 Ca 0.07 0.61 -0.16 0.00 -0.37 0.00 0.00 57.07 57.21 2k3y s TYR 81 Cb -0.16 -3.85 -0.09 0.00 -0.40 0.00 0.00 41.96 37.46 2k3y s TYR 81 CO 0.09 -2.72 0.82 -0.65 -1.57 0.00 0.00 175.55 171.52 2k3y s GLN 82 N 4.21 4.03 0.00 -0.62 -0.21 -0.12 -2.95 119.66 124.00 2k3y s GLN 82 Ca 0.66 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.83 2k3y s GLN 82 Cb -0.25 -2.33 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2k3y s GLN 82 CO 0.25 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 2k3y n GLY 83 N -0.69 0.16 3.28 3.09 0.00 -1.26 -4.55 105.19 105.22 2k3y n GLY 83 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.39 1.49 0.87 1.61 0.23 -1.15 -5.16 118.94 115.43 2k3y s TRP 84 Ca 0.00 -1.44 -0.12 0.00 -2.03 0.00 0.00 56.10 52.52 2k3y s TRP 84 Cb 0.00 -0.72 0.11 0.00 0.03 0.00 0.00 33.47 32.89 2k3y s TRP 84 CO 0.00 -0.64 1.10 0.15 0.96 0.00 0.00 176.95 178.52 2k3y s LYS 85 N -3.85 1.50 0.07 4.98 1.02 -1.26 -4.84 119.74 117.36 2k3y s LYS 85 Ca 0.38 0.65 0.25 0.00 0.02 0.00 0.00 55.97 57.28 2k3y s LYS 85 Cb 0.05 -1.85 1.01 0.00 -0.52 0.00 0.00 37.83 36.52 2k3y s LYS 85 CO 0.18 -2.03 1.80 0.43 -0.92 0.00 0.00 175.35 174.81 2k3y n SER 86 N -3.71 0.26 0.02 2.83 7.64 -1.26 -3.36 113.62 116.04 2k3y n SER 86 Ca 0.07 0.53 0.11 0.00 1.01 0.00 0.00 58.87 60.59 2k3y n SER 86 Cb 0.56 -0.60 0.54 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.26 -0.07 6.43 0.02 -1.99 -1.85 113.55 116.36 2k3y h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3y h SER 87 Cb 0.51 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2k3y h SER 87 CO 0.00 0.17 0.00 0.79 -1.14 0.00 0.00 176.83 176.65 2k3y n TRP 88 N -4.47 0.09 -1.94 3.45 7.02 -1.21 -4.84 117.44 115.53 2k3y n TRP 88 Ca 0.06 -0.04 -0.42 0.00 -1.02 0.00 0.00 57.50 56.07 2k3y n TRP 88 Cb 0.28 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.14 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 -1.50 5.73 0.17 -0.99 1.01 -0.69 -4.69 116.67 115.71 2k3y s ASP 89 Ca 0.27 1.28 -0.16 0.00 0.71 0.00 0.00 52.55 54.65 2k3y s ASP 89 Cb 0.13 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2k3y s ASP 89 CO 0.21 -1.84 0.45 -0.70 0.21 0.00 0.00 175.17 173.50 2k3y s GLU 90 N 5.96 1.27 0.09 8.23 2.12 -1.23 -4.83 118.70 130.31 2k3y s GLU 90 Ca 0.82 -0.89 -0.01 0.00 0.36 0.00 0.00 54.97 55.24 2k3y s GLU 90 Cb -0.23 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 2k3y s GLU 90 CO 0.32 -0.52 0.26 -1.58 -0.54 0.00 0.00 175.26 173.20 2k3y s TRP 91 N -3.88 3.51 0.08 5.30 0.52 -1.26 -2.06 118.94 121.15 2k3y s TRP 91 Ca 0.09 0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.60 2k3y s TRP 91 Cb 0.00 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 2k3y s TRP 91 CO -0.04 0.54 -0.16 0.14 0.02 0.00 0.00 176.95 177.45 2k3y s VAL 92 N -1.56 1.27 0.57 4.03 -7.23 -0.66 -4.93 120.40 111.90 2k3y s VAL 92 Ca 0.37 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 2k3y s VAL 92 Cb -0.13 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2k3y s VAL 92 CO 0.27 -0.18 0.92 -0.83 -0.31 0.00 0.00 175.10 174.97 2k3y s GLY 93 N -1.79 1.58 0.00 2.32 0.00 -1.26 -2.45 107.32 105.72 2k3y s GLY 93 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 44.72 44.40 2k3y s GLY 93 CO 0.03 -0.11 0.65 2.98 0.00 0.00 0.00 173.10 176.65 2k3y n TYR 94 N -2.55 0.00 0.01 1.90 9.36 -1.24 -1.04 117.16 123.60 2k3y n TYR 94 Ca 0.04 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.17 2k3y n TYR 94 Cb 0.55 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 0.22 0.22 0.00 0.00 176.86 177.30 2k3y h ASP 95 N 0.00 0.04 0.00 2.98 3.58 -1.93 -3.41 116.42 117.69 2k3y h ASP 95 Ca 0.00 -0.07 -0.34 0.00 0.42 0.00 0.00 57.03 57.04 2k3y h ASP 95 Cb 0.00 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 2k3y h ASP 95 CO 0.00 1.06 -2.30 0.54 -2.88 0.00 0.00 179.24 175.66 2k3y n ARG 96 N -3.17 0.58 -3.95 0.28 1.74 -0.20 -4.97 116.66 106.97 2k3y n ARG 96 Ca -0.13 0.13 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2k3y n ARG 96 Cb 1.02 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.46 5.22 -0.02 0.55 2.07 -0.66 -1.38 121.20 124.52 2k3y s ILE 97 Ca -0.30 -0.45 -0.08 0.00 -1.41 0.00 0.00 60.65 58.41 2k3y s ILE 97 Cb 0.08 -3.53 0.01 0.00 0.13 0.00 0.00 42.46 39.15 2k3y s ILE 97 CO 0.53 0.15 0.17 -0.13 -1.91 0.00 0.00 174.94 173.76 2k3y s ARG 98 N -2.43 0.45 0.42 3.50 0.52 -0.45 -4.43 118.95 116.52 2k3y s ARG 98 Ca 0.33 -0.22 -0.25 0.00 -0.52 0.00 0.00 55.73 55.07 2k3y s ARG 98 Cb -0.13 0.19 -0.08 0.00 0.52 0.00 0.00 34.95 35.45 2k3y s ARG 98 CO 0.26 -0.10 1.21 0.00 0.02 0.00 0.00 175.30 176.68 2k3y s ALA 99 N -1.05 3.13 -0.08 2.13 0.00 -1.26 -0.61 121.76 124.01 2k3y s ALA 99 Ca -0.11 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 2k3y s ALA 99 Cb -0.06 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2k3y s ALA 99 CO 0.02 -0.66 2.08 -0.47 0.00 0.00 0.00 175.76 176.72 2k3y s TYR 100 N -1.40 1.24 0.19 0.00 6.14 0.19 -4.76 117.35 118.94 2k3y s TYR 100 Ca 0.59 -0.00 -0.23 0.00 0.64 0.00 0.00 57.07 58.07 2k3y s TYR 100 Cb -0.32 -4.10 0.05 0.00 0.42 0.00 0.00 41.96 38.01 2k3y s TYR 100 CO 0.41 -4.88 0.71 0.54 0.64 0.00 0.00 175.55 172.97 2k3y s ASN 101 N 6.17 -0.39 0.43 4.32 2.20 -1.26 -4.42 114.94 121.99 2k3y s ASN 101 Ca 0.94 -0.29 0.13 0.00 -0.94 0.00 0.00 52.86 52.70 2k3y s ASN 101 Cb -0.38 0.62 1.01 0.00 -2.00 0.00 0.00 41.25 40.50 2k3y s ASN 101 CO 0.38 -1.09 1.97 -0.08 -2.94 0.00 0.00 177.10 175.34 2k3y h GLU 102 N 2.00 0.43 -0.48 3.55 4.57 -1.97 -0.24 114.58 122.44 2k3y h GLU 102 Ca -0.26 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 2k3y h GLU 102 Cb 1.27 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 2k3y h GLU 102 CO 0.30 0.28 0.18 1.49 -1.18 0.00 0.00 179.01 180.08 2k3y h GLU 103 N 0.44 0.72 -0.17 1.92 4.81 -1.98 0.55 114.58 120.88 2k3y h GLU 103 Ca 0.29 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 2k3y h GLU 103 Cb 0.56 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2k3y h GLU 103 CO -0.09 0.66 -0.38 -0.91 -0.73 0.00 0.00 179.01 177.57 2k3y h ASN 104 N 0.63 0.39 0.10 1.04 2.35 -1.43 -1.66 115.58 117.01 2k3y h ASN 104 Ca 0.16 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2k3y h ASN 104 Cb 0.21 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2k3y h ASN 104 CO -0.01 0.73 -0.41 0.40 -1.65 0.00 0.00 177.43 176.49 2k3y h ILE 105 N 0.32 1.31 -0.66 2.81 1.08 -0.77 0.28 117.51 121.88 2k3y h ILE 105 Ca 0.03 -1.55 -0.02 0.00 -0.39 0.00 0.00 64.86 62.92 2k3y h ILE 105 Cb 0.81 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 2k3y h ILE 105 CO 0.06 0.48 0.32 0.00 -0.69 0.00 0.00 178.15 178.32 2k3y h ALA 106 N 1.24 0.85 -0.23 1.87 0.00 -0.39 0.17 119.26 122.76 2k3y h ALA 106 Ca 0.03 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k3y h ALA 106 Cb 0.86 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2k3y h ALA 106 CO 0.07 0.41 0.10 1.98 0.00 0.00 0.00 179.25 181.81 2k3y h MET 107 N 0.91 0.21 -0.44 0.00 1.85 -0.94 -1.74 114.93 114.78 2k3y h MET 107 Ca 0.23 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.30 2k3y h MET 107 Cb 0.12 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 2k3y h MET 107 CO -0.03 0.14 0.27 -0.22 -0.40 0.00 0.00 176.91 176.67 2k3y h LYS 108 N 0.21 0.59 0.01 0.39 3.64 0.38 -1.30 116.57 120.49 2k3y h LYS 108 Ca 0.10 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 2k3y h LYS 108 Cb 0.05 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2k3y h LYS 108 CO -0.08 0.43 -0.63 1.57 -2.27 0.00 0.00 179.45 178.47 2k3y h LYS 109 N 0.59 0.41 -0.56 1.90 2.10 -0.63 0.21 116.57 120.59 2k3y h LYS 109 Ca 0.16 -0.45 0.07 0.00 -2.00 0.00 0.00 60.65 58.43 2k3y h LYS 109 Cb -0.02 0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.41 2k3y h LYS 109 CO -0.03 1.12 0.37 0.07 -2.00 0.00 0.00 179.45 178.98 2k3y h ARG 110 N -0.10 0.46 0.03 0.07 -0.00 -1.22 -0.39 114.38 113.23 2k3y h ARG 110 Ca -0.08 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.87 2k3y h ARG 110 Cb 1.34 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2k3y h ARG 110 CO 0.12 0.30 -0.01 -0.07 -0.00 0.00 0.00 179.97 180.31 2k3y h LEU 111 N 0.47 -0.03 -1.89 0.08 3.38 -1.08 -3.11 115.31 113.13 2k3y h LEU 111 Ca 0.25 -0.67 0.19 0.00 0.09 0.00 0.00 57.88 57.74 2k3y h LEU 111 Cb 0.37 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2k3y h LEU 111 CO -0.07 0.74 0.61 0.00 0.09 0.00 0.00 178.44 179.82 2k3y h ALA 112 N -0.13 2.48 -0.11 1.53 0.00 -0.38 0.13 119.26 122.78 2k3y h ALA 112 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2k3y h ALA 112 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2k3y h ALA 112 CO 0.01 -0.95 -0.30 -0.97 0.00 0.00 0.00 179.25 177.03 2k3y h ASN 113 N 0.00 0.45 0.48 0.00 -1.24 -1.11 -3.35 115.58 110.81 2k3y h ASN 113 Ca 0.32 -0.60 0.00 0.00 0.71 0.00 0.00 56.30 56.73 2k3y h ASN 113 Cb 1.53 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.45 2k3y h ASN 113 CO -0.00 0.96 -0.84 -1.84 -1.29 0.00 0.00 177.43 174.42 2k3y n GLU 114 N -4.42 0.20 -1.60 6.67 0.28 -0.22 -4.99 120.64 116.56 2k3y n GLU 114 Ca -0.07 0.01 -0.60 0.00 -0.16 0.00 0.00 57.16 56.34 2k3y n GLU 114 Cb 0.48 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.68 2k3y n GLU 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k3y n ALA 115 N -1.73 -0.27 -1.49 -1.84 0.00 0.28 -4.88 120.51 110.58 2k3y n ALA 115 Ca 0.03 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 2k3y n ALA 115 Cb 0.41 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 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 5.10 4.31 0.26 0.00 0.00 -1.26 -4.72 105.19 108.89 2k3y n GLY 116 Ca 0.35 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 44.87 2k3y n GLY 116 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k3y h SER 117 N 4.08 0.00 -5.18 1.61 0.02 -1.90 -3.42 113.55 108.76 2k3y h SER 117 Ca 0.59 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 61.11 2k3y h SER 117 Cb 0.62 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.03 2k3y h SER 117 CO 1.20 0.00 -0.53 0.42 -1.14 0.00 0.00 176.83 176.78 2k3y s THR 118 N -3.83 0.16 -0.09 -2.27 -4.23 -1.26 -4.91 115.64 99.21 2k3y s THR 118 Ca -0.02 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2k3y s THR 118 Cb 0.10 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.46 2k3y s THR 118 CO 0.39 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 2k3y n GLY 119 N -0.60 0.34 3.86 3.99 0.00 -1.26 -4.11 105.19 107.41 2k3y n GLY 119 Ca 0.03 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 1.78 -4.66 -4.69 1.61 7.64 -1.26 -4.96 113.62 109.09 2k3y n SER 120 Ca -0.01 -0.76 -0.39 0.00 1.01 0.00 0.00 58.87 58.72 2k3y n SER 120 Cb 0.51 -4.02 0.04 0.00 -1.01 0.00 0.00 64.21 59.72 2k3y n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3y n ALA 121 N -4.69 1.00 -0.99 -0.43 0.00 -1.26 -4.96 120.51 109.19 2k3y n ALA 121 Ca 0.01 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 2k3y n ALA 121 Cb 0.54 -2.24 0.13 0.00 0.00 0.00 0.00 19.45 17.88 2k3y n ALA 121 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2k3y n PRO 122 N -0.65 -0.01 0.01 0.00 -0.02 -1.26 -4.74 135.00 128.33 2k3y n PRO 122 Ca 0.10 0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 2k3y n PRO 122 Cb 0.44 -2.30 0.18 0.00 -0.02 0.00 0.00 33.50 31.80 2k3y n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k3y n ALA 123 N -3.47 1.35 -2.69 3.55 0.00 -1.26 -1.80 120.51 116.19 2k3y n ALA 123 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.56 2k3y n ALA 123 Cb 0.51 -1.13 0.04 0.00 0.00 0.00 0.00 19.45 18.86 2k3y n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3y n THR 124 N -1.54 0.74 -2.04 0.00 -1.04 -1.26 -4.58 114.28 104.56 2k3y n THR 124 Ca 0.02 -2.12 -0.01 0.00 -2.04 0.00 0.00 64.05 59.90 2k3y n THR 124 Cb 0.09 1.17 -0.01 0.00 -1.82 0.00 0.00 70.33 69.76 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 -0.14 0.80 0.00 3.41 0.00 -0.74 -4.92 105.19 103.60 2k3y n GLY 125 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 0.26 0.00 -0.02 0.00 -1.11 -4.34 105.19 100.02 2k3y n GLY 126 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 0.00 1.61 0.31 -1.22 -4.48 118.33 114.56 2k3y n VAL 127 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k3y n VAL 127 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 4.76 -1.26 -4.08 118.16 123.13 2k3y n LYS 129 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2k3y n LYS 129 Cb 0.00 0.00 0.33 0.00 -1.84 0.00 0.00 35.03 33.52 2k3y n LYS 129 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2k3y n PRO 130 N 0.00 0.97 -0.08 1.97 -0.04 -1.26 -4.55 135.00 132.01 2k3y n PRO 130 Ca 0.00 -0.62 0.25 0.00 -0.04 0.00 0.00 63.50 63.09 2k3y n PRO 130 Cb 0.00 -1.49 0.56 0.00 -0.04 0.00 0.00 33.50 32.53 2k3y n PRO 130 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2k3y h HIS 131 N 1.50 0.00 0.00 0.54 2.07 -2.05 -3.25 115.15 113.97 2k3y h HIS 131 Ca 0.00 0.00 -0.66 0.00 -2.85 0.00 0.00 60.37 56.86 2k3y h HIS 131 Cb 0.55 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.53 2k3y h HIS 131 CO 0.00 0.00 3.29 0.54 -3.07 0.00 0.00 177.93 178.69 2k3y n ARG 132 N -3.40 2.98 -1.00 5.12 1.74 -1.26 -4.97 116.66 115.87 2k3y n ARG 132 Ca 0.17 -2.28 -0.33 0.00 -0.77 0.00 0.00 57.85 54.63 2k3y n ARG 132 Cb 1.16 -3.00 0.13 0.00 -1.02 0.00 0.00 32.46 29.74 2k3y n ARG 132 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2k3y n TYR 133 N 5.12 0.92 0.73 -1.55 4.02 -1.23 -5.25 117.16 119.92 2k3y n TYR 133 Ca 0.61 0.39 0.06 0.00 -0.01 0.00 0.00 57.90 58.95 2k3y n TYR 133 Cb 0.31 -2.06 0.35 0.00 -0.02 0.00 0.00 39.34 37.92 2k3y n TYR 133 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39