#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvy s LEU 17 N 0.00 4.22 0.27 0.64 1.02 -1.26 0.12 118.68 123.68 3kvy s LEU 17 Ca 0.00 1.68 -0.30 0.00 0.02 0.00 0.00 54.13 55.53 3kvy s LEU 17 Cb 0.00 -4.08 -0.10 0.00 0.02 0.00 0.00 46.19 42.03 3kvy s LEU 17 CO 0.00 -0.13 1.48 -0.69 0.02 0.00 0.00 176.35 177.03 3kvy s VAL 18 N -1.77 2.47 0.08 -1.59 1.01 -1.05 -4.94 120.40 114.61 3kvy s VAL 18 Ca 0.52 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.98 3kvy s VAL 18 Cb -0.15 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3kvy s VAL 18 CO 0.20 0.07 -0.20 -1.10 0.00 0.00 0.00 175.10 174.06 3kvy s GLN 19 N -0.54 1.19 0.26 2.72 -0.21 -1.26 -4.72 119.66 117.10 3kvy s GLN 19 Ca 0.60 -1.08 0.06 0.00 0.02 0.00 0.00 55.36 54.96 3kvy s GLN 19 Cb -0.44 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 3kvy s GLN 19 CO 0.46 0.34 0.30 -0.51 -2.12 0.00 0.00 175.29 173.75 3kvy s LEU 20 N -1.65 4.04 -0.58 2.90 1.43 -1.26 -4.76 118.68 118.79 3kvy s LEU 20 Ca 0.06 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3kvy s LEU 20 Cb -0.10 -2.60 0.40 0.00 0.03 0.00 0.00 46.19 43.93 3kvy s LEU 20 CO 0.03 -0.10 1.49 0.00 0.23 0.00 0.00 176.35 178.00 3kvy s ASN 22 N -2.60 1.19 0.36 0.00 2.47 -1.26 -5.02 114.94 110.08 3kvy s ASN 22 Ca 0.51 -0.35 0.27 0.00 0.42 0.00 0.00 52.86 53.71 3kvy s ASN 22 Cb 0.42 0.64 1.16 0.00 -1.45 0.00 0.00 41.25 42.02 3kvy s ASN 22 CO -0.23 -0.35 1.81 1.55 -3.72 0.00 0.00 177.10 176.16 3kvy h PRO 23 N 8.26 0.00 0.00 0.43 0.13 -2.05 -3.18 132.00 135.58 3kvy h PRO 23 Ca -0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.90 3kvy h PRO 23 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3kvy h PRO 23 CO 0.30 0.00 -0.34 0.45 -0.23 0.00 0.00 178.00 178.19 3kvy h HIS 24 N 0.00 0.00 -0.44 1.56 3.86 -2.02 -3.30 115.15 114.81 3kvy h HIS 24 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3kvy h HIS 24 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 3kvy h HIS 24 CO 0.00 0.34 0.15 0.82 0.86 0.00 0.00 177.93 180.10 3kvy h ILE 25 N 0.00 1.22 -0.89 2.45 1.08 -1.98 -3.08 117.51 116.30 3kvy h ILE 25 Ca -0.00 -0.71 0.10 0.00 -0.39 0.00 0.00 64.86 63.86 3kvy h ILE 25 Cb 0.84 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 35.37 3kvy h ILE 25 CO 0.04 0.26 0.58 0.00 -0.69 0.00 0.00 178.15 178.33 3kvy h ALA 26 N 1.00 1.65 -0.08 1.87 0.00 -1.81 -1.92 119.26 119.97 3kvy h ALA 26 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kvy h ALA 26 Cb 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kvy h ALA 26 CO -0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3kvy n ALA 27 N -2.41 2.57 -1.95 0.00 0.00 -1.16 -4.88 120.51 112.67 3kvy n ALA 27 Ca 0.15 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 3kvy n ALA 27 Cb 0.32 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 3kvy n ALA 27 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kvy s MET 28 N -1.90 4.62 0.11 0.00 1.00 -0.72 -4.98 119.30 117.43 3kvy s MET 28 Ca 0.32 1.21 -0.14 0.00 0.00 0.00 0.00 55.69 57.08 3kvy s MET 28 Cb 0.16 -3.27 -0.06 0.00 0.00 0.00 0.00 34.83 31.66 3kvy s MET 28 CO 0.25 0.56 1.47 0.87 0.00 0.00 0.00 175.02 178.17 3kvy h LYS 29 N 4.32 0.73 -3.89 2.03 1.57 -1.90 -3.45 116.57 115.98 3kvy h LYS 29 Ca -0.47 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 57.84 3kvy h LYS 29 Cb 1.21 -0.01 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 3kvy h LYS 29 CO 0.66 0.94 -0.61 -1.83 -0.57 0.00 0.00 179.45 178.05 3kvy s GLU 30 N -4.56 0.47 -0.23 3.15 -1.05 -1.26 -4.96 118.70 110.27 3kvy s GLU 30 Ca -0.12 -0.72 0.02 0.00 -0.15 0.00 0.00 54.97 53.99 3kvy s GLU 30 Cb 0.09 0.18 0.04 0.00 -0.44 0.00 0.00 34.13 34.00 3kvy s GLU 30 CO 0.82 -0.10 -0.13 0.34 0.95 0.00 0.00 175.26 177.14 3kvy s ASP 31 N -1.89 3.96 -0.33 0.83 2.15 -1.26 -5.00 116.67 115.12 3kvy s ASP 31 Ca -0.09 -1.05 -0.16 0.00 0.43 0.00 0.00 52.55 51.68 3kvy s ASP 31 Cb -0.04 -1.54 -0.01 0.00 -0.30 0.00 0.00 42.92 41.02 3kvy s ASP 31 CO -0.03 -0.11 0.40 -0.63 -0.17 0.00 0.00 175.17 174.63 3kvy s ILE 32 N 1.20 5.13 -1.21 4.11 1.01 -1.26 -1.84 121.20 128.34 3kvy s ILE 32 Ca -0.03 0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 3kvy s ILE 32 Cb -0.17 -3.84 0.18 0.00 0.01 0.00 0.00 42.46 38.64 3kvy s ILE 32 CO -0.08 -0.09 1.44 0.18 0.00 0.00 0.00 174.94 176.40 3kvy n LEU 33 N 5.47 5.30 -0.25 2.97 4.77 0.11 -4.89 117.00 130.47 3kvy n LEU 33 Ca -0.08 -4.50 0.04 0.00 -0.03 0.00 0.00 56.01 51.44 3kvy n LEU 33 Cb 0.49 -1.61 0.17 0.00 -2.33 0.00 0.00 43.42 40.15 3kvy n LEU 33 CO 0.41 0.79 1.04 0.22 -1.33 0.00 0.00 177.39 178.51 3kvy h TYR 34 N 7.04 0.56 -0.00 -1.77 3.20 -1.95 -1.24 116.97 122.81 3kvy h TYR 34 Ca 0.31 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3kvy h TYR 34 Cb 0.86 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3kvy h TYR 34 CO 1.09 0.13 -0.00 0.72 -1.64 0.00 0.00 178.16 178.45 3kvy n HIS 35 N -4.95 0.00 0.55 -3.82 8.25 -1.26 -2.42 115.22 111.58 3kvy n HIS 35 Ca 0.13 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.70 3kvy n HIS 35 Cb 0.36 -0.47 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 3kvy n HIS 35 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3kvy n PHE 36 N -1.47 0.10 -3.61 4.41 0.99 -0.56 -4.24 117.46 113.08 3kvy n PHE 36 Ca 0.08 0.03 -0.24 0.00 -0.00 0.00 0.00 57.45 57.32 3kvy n PHE 36 Cb 0.33 -0.31 0.08 0.00 -1.00 0.00 0.00 39.48 38.58 3kvy n PHE 36 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3kvy n SER 37 N -1.89 -6.32 -4.30 4.37 2.88 -0.64 -4.66 113.62 103.06 3kvy n SER 37 Ca 0.01 -0.55 -0.25 0.00 -1.33 0.00 0.00 58.87 56.75 3kvy n SER 37 Cb 0.44 -5.01 -0.13 0.00 -0.75 0.00 0.00 64.21 58.76 3kvy n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kvy s LEU 38 N -7.31 2.30 -0.06 2.46 1.02 -1.03 -4.96 118.68 111.11 3kvy s LEU 38 Ca 0.59 -0.69 -0.12 0.00 0.02 0.00 0.00 54.13 53.92 3kvy s LEU 38 Cb -0.26 -0.94 0.02 0.00 0.02 0.00 0.00 46.19 45.04 3kvy s LEU 38 CO 0.73 0.08 0.30 -0.55 0.02 0.00 0.00 176.35 176.93 3kvy s SER 39 N -1.92 -0.24 0.59 2.29 0.15 -1.26 0.04 113.70 113.35 3kvy s SER 39 Ca 0.08 0.31 0.29 0.00 0.70 0.00 0.00 55.95 57.33 3kvy s SER 39 Cb -0.10 0.46 1.77 0.00 -1.71 0.00 0.00 66.02 66.44 3kvy s SER 39 CO 0.04 -0.29 2.21 0.71 1.20 0.00 0.00 173.24 177.11 3kvy h THR 40 N 4.25 0.50 0.00 6.45 1.35 -1.59 0.10 112.91 123.97 3kvy h THR 40 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3kvy h THR 40 Cb 1.18 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3kvy h THR 40 CO 0.36 0.00 -0.72 -1.54 -0.25 0.00 0.00 175.52 173.37 3kvy n SER 41 N -3.82 0.64 -0.05 5.36 3.41 -1.26 -4.08 113.62 113.81 3kvy n SER 41 Ca -0.02 -0.39 0.03 0.00 -0.26 0.00 0.00 58.87 58.23 3kvy n SER 41 Cb 0.16 0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 3kvy n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kvy n THR 42 N -1.62 0.00 -3.90 6.66 -2.24 -0.93 -5.02 114.28 107.23 3kvy n THR 42 Ca 0.04 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3kvy n THR 42 Cb 0.36 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.49 3kvy n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kvy s HIS 43 N -1.39 0.08 -0.71 4.78 4.02 -0.02 -4.91 115.29 117.14 3kvy s HIS 43 Ca 0.03 -0.17 -0.17 0.00 1.02 0.00 0.00 55.06 55.78 3kvy s HIS 43 Cb 0.05 -0.06 0.15 0.00 -1.02 0.00 0.00 32.58 31.69 3kvy s HIS 43 CO 0.22 -0.07 0.75 0.34 1.02 0.00 0.00 174.74 177.00 3kvy s ASP 44 N -0.49 6.43 0.05 1.40 3.68 -1.26 -4.48 116.67 122.00 3kvy s ASP 44 Ca -0.05 -1.98 -0.22 0.00 2.13 0.00 0.00 52.55 52.43 3kvy s ASP 44 Cb -0.03 -2.27 -0.14 0.00 -1.45 0.00 0.00 42.92 39.03 3kvy s ASP 44 CO -0.00 -0.89 1.46 -0.26 0.13 0.00 0.00 175.17 175.61 3kvy h PHE 45 N 8.65 0.24 -0.77 -5.34 0.05 -1.90 -1.03 116.94 116.84 3kvy h PHE 45 Ca -0.10 -0.05 0.09 0.00 3.82 0.00 0.00 57.97 61.73 3kvy h PHE 45 Cb 1.07 -0.06 -0.07 0.00 2.00 0.00 0.00 35.95 38.88 3kvy h PHE 45 CO 0.93 0.48 0.43 -1.35 -0.18 0.00 0.00 178.31 178.61 3kvy h PRO 46 N -0.06 0.71 -0.26 1.51 0.11 -1.80 0.16 132.00 132.37 3kvy h PRO 46 Ca 0.03 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 3kvy h PRO 46 Cb 0.38 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3kvy h PRO 46 CO 0.01 0.47 -0.34 0.00 -0.21 0.00 0.00 178.00 177.92 3kvy h ALA 47 N 1.43 0.92 0.06 -0.75 0.00 -1.90 -0.99 119.26 118.04 3kvy h ALA 47 Ca 0.37 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3kvy h ALA 47 Cb 0.33 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kvy h ALA 47 CO -0.24 0.62 -0.99 0.52 0.00 0.00 0.00 179.25 179.16 3kvy h MET 48 N 0.47 0.57 0.00 0.00 2.86 -0.49 -3.42 114.93 114.92 3kvy h MET 48 Ca 0.05 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 3kvy h MET 48 Cb 0.82 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3kvy h MET 48 CO 0.07 1.29 0.00 1.19 1.06 0.00 0.00 176.91 180.52 3kvy n PHE 49 N -3.95 0.00 -0.40 -0.22 3.01 0.48 -4.82 117.46 111.57 3kvy n PHE 49 Ca -0.12 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.66 3kvy n PHE 49 Cb 0.87 0.00 0.61 0.00 -0.01 0.00 0.00 39.48 40.95 3kvy n PHE 49 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kvy h GLY 50 N 0.00 1.14 -1.68 1.37 0.00 -1.22 -0.16 103.07 102.51 3kvy h GLY 50 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3kvy h GLY 50 CO 0.00 -0.27 0.00 2.09 0.00 0.00 0.00 176.54 178.36 3kvy n ASP 51 N -4.61 2.54 -4.73 0.19 3.85 -1.26 -4.49 116.55 108.04 3kvy n ASP 51 Ca 0.32 -1.95 -0.42 0.00 -0.71 0.00 0.00 54.79 52.04 3kvy n ASP 51 Cb 1.24 -0.28 -0.03 0.00 -1.35 0.00 0.00 41.12 40.70 3kvy n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3kvy s VAL 52 N -1.44 3.15 0.00 2.12 1.01 -0.07 -4.38 120.40 120.79 3kvy s VAL 52 Ca 0.33 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.19 3kvy s VAL 52 Cb 0.18 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3kvy s VAL 52 CO 0.24 0.10 0.00 0.29 0.00 0.00 0.00 175.10 175.73 3kvy n LYS 53 N 3.35 2.35 -3.96 2.72 4.76 0.12 -4.45 118.16 123.04 3kvy n LYS 53 Ca 0.09 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.24 3kvy n LYS 53 Cb 0.42 -0.85 -0.16 0.00 -1.84 0.00 0.00 35.03 32.59 3kvy n LYS 53 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3kvy s PHE 54 N -1.58 2.12 -0.24 2.13 0.40 -0.60 -0.41 117.98 119.80 3kvy s PHE 54 Ca 0.00 -1.35 -0.04 0.00 -0.60 0.00 0.00 56.93 54.94 3kvy s PHE 54 Cb 0.00 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 42.01 3kvy s PHE 54 CO 0.00 -0.68 -0.02 0.08 0.70 0.00 0.00 175.22 175.30 3kvy s VAL 55 N 1.49 3.46 -0.13 -0.44 1.01 0.43 -0.63 120.40 125.60 3kvy s VAL 55 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3kvy s VAL 55 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3kvy s VAL 55 CO -0.08 0.32 -0.16 0.00 0.00 0.00 0.00 175.10 175.18 3kvy s VAL 57 N 0.48 1.24 0.21 0.00 -7.23 -0.42 -1.20 120.40 113.47 3kvy s VAL 57 Ca -0.11 -0.93 -0.20 0.00 -1.81 0.00 0.00 61.98 58.93 3kvy s VAL 57 Cb -0.16 -1.09 0.04 0.00 0.56 0.00 0.00 36.38 35.73 3kvy s VAL 57 CO 0.05 0.14 0.59 -0.83 -0.31 0.00 0.00 175.10 174.75 3kvy s GLY 58 N -0.91 -0.23 0.11 2.32 0.00 -0.81 -0.63 107.32 107.16 3kvy s GLY 58 Ca 0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 44.72 44.51 3kvy s GLY 58 CO 0.01 -0.11 1.66 -1.33 0.00 0.00 0.00 173.10 173.33 3kvy h GLY 59 N 2.09 0.40 -6.55 0.20 0.00 -1.79 0.73 103.07 98.15 3kvy h GLY 59 Ca -0.28 -0.21 -0.61 0.00 0.00 0.00 0.00 47.33 46.24 3kvy h GLY 59 CO 0.34 0.20 -0.36 -0.45 0.00 0.00 0.00 176.54 176.27 3kvy s SER 60 N -5.64 6.30 0.31 0.19 0.15 -1.26 -2.11 113.70 111.64 3kvy s SER 60 Ca -0.13 0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 3kvy s SER 60 Cb 0.08 -2.16 0.51 0.00 -1.71 0.00 0.00 66.02 62.73 3kvy s SER 60 CO 0.72 0.03 1.96 -0.65 1.20 0.00 0.00 173.24 176.49 3kvy h PRO 61 N 7.25 0.95 -0.14 5.44 0.11 -1.96 -1.06 132.00 142.59 3kvy h PRO 61 Ca -0.38 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kvy h PRO 61 Cb 1.16 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3kvy h PRO 61 CO 0.70 0.66 0.08 0.77 -0.21 0.00 0.00 178.00 180.01 3kvy h SER 62 N 0.97 0.17 -0.69 -2.05 0.02 -1.99 -1.74 113.55 108.24 3kvy h SER 62 Ca 0.26 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3kvy h SER 62 Cb -0.05 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3kvy h SER 62 CO -0.05 0.19 0.14 0.03 -1.14 0.00 0.00 176.83 176.00 3kvy h ARG 63 N 0.14 1.12 0.00 3.45 2.47 -1.85 -0.94 114.38 118.77 3kvy h ARG 63 Ca 0.05 -0.28 -0.09 0.00 -1.26 0.00 0.00 59.98 58.39 3kvy h ARG 63 Cb 0.05 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3kvy h ARG 63 CO -0.01 1.00 -0.45 0.52 0.56 0.00 0.00 179.97 181.60 3kvy h MET 64 N 1.05 0.00 -0.14 0.04 2.86 -1.17 0.13 114.93 117.70 3kvy h MET 64 Ca 0.21 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.78 3kvy h MET 64 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3kvy h MET 64 CO 0.01 0.45 -0.21 -0.22 1.06 0.00 0.00 176.91 178.00 3kvy h LYS 65 N 0.00 0.38 -0.89 1.72 3.64 -1.04 -2.43 116.57 117.96 3kvy h LYS 65 Ca -0.00 -0.23 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3kvy h LYS 65 Cb 0.83 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 3kvy h LYS 65 CO 0.06 0.81 0.56 0.00 -2.27 0.00 0.00 179.45 178.61 3kvy h ALA 66 N 0.57 1.21 -0.27 5.00 0.00 -0.86 -2.41 119.26 122.50 3kvy h ALA 66 Ca 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3kvy h ALA 66 Cb 0.77 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kvy h ALA 66 CO 0.05 0.35 0.11 0.35 0.00 0.00 0.00 179.25 180.11 3kvy h PHE 67 N 1.05 0.21 -0.35 0.00 3.04 -0.69 0.19 116.94 120.39 3kvy h PHE 67 Ca 0.38 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.30 3kvy h PHE 67 Cb 0.12 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 3kvy h PHE 67 CO -0.02 0.11 0.06 0.97 -2.02 0.00 0.00 178.31 177.40 3kvy h ILE 68 N 0.25 1.17 -0.11 1.41 6.09 -1.13 -0.23 117.51 124.97 3kvy h ILE 68 Ca 0.11 -0.64 -0.02 0.00 -1.37 0.00 0.00 64.86 62.94 3kvy h ILE 68 Cb 0.06 0.85 -0.00 0.00 0.47 0.00 0.00 36.82 38.19 3kvy h ILE 68 CO -0.10 0.23 -0.02 0.11 -3.07 0.00 0.00 178.15 175.30 3kvy h LYS 69 N 0.50 0.20 -0.55 2.19 1.57 -1.00 -1.45 116.57 118.03 3kvy h LYS 69 Ca 0.12 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3kvy h LYS 69 Cb 0.24 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 3kvy h LYS 69 CO 0.00 0.51 0.19 -0.92 -0.57 0.00 0.00 179.45 178.66 3kvy h TYR 70 N -0.12 0.33 -0.57 -1.35 3.20 -0.57 -2.22 116.97 115.67 3kvy h TYR 70 Ca 0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3kvy h TYR 70 Cb 0.43 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3kvy h TYR 70 CO 0.05 0.09 0.22 0.28 -1.64 0.00 0.00 178.16 177.16 3kvy h VAL 71 N 0.37 1.23 -0.42 1.81 2.07 -1.01 -2.28 116.25 118.01 3kvy h VAL 71 Ca 0.27 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3kvy h VAL 71 Cb 0.31 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3kvy h VAL 71 CO -0.28 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.68 3kvy h ALA 72 N 1.07 0.47 -0.65 1.67 0.00 -0.81 -2.09 119.26 118.91 3kvy h ALA 72 Ca 0.19 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kvy h ALA 72 Cb 0.22 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3kvy h ALA 72 CO -0.01 -0.30 0.39 0.52 0.00 0.00 0.00 179.25 179.85 3kvy h MET 73 N 0.23 0.89 0.00 0.00 2.07 -1.26 0.11 114.93 116.97 3kvy h MET 73 Ca 0.20 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 3kvy h MET 73 Cb 0.24 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.79 3kvy h MET 73 CO -0.26 0.64 0.00 0.93 1.07 0.00 0.00 176.91 179.29 3kvy h GLU 74 N 0.89 0.00 -0.12 1.72 4.39 -0.87 -2.64 114.58 117.95 3kvy h GLU 74 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3kvy h GLU 74 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3kvy h GLU 74 CO -0.04 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.09 3kvy n LEU 75 N -2.46 2.10 -2.82 1.33 4.77 -0.84 -5.01 117.00 114.08 3kvy n LEU 75 Ca 0.02 -1.49 -0.11 0.00 -0.03 0.00 0.00 56.01 54.40 3kvy n LEU 75 Cb 0.26 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3kvy n LEU 75 CO 0.22 0.49 0.03 0.61 -1.33 0.00 0.00 177.39 177.41 3kvy n GLY 76 N 0.30 -0.60 0.00 -0.72 0.00 -0.70 -4.95 105.19 98.52 3kvy n GLY 76 Ca 0.06 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.42 3kvy n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kvy n PHE 77 N -2.86 0.00 -1.65 1.61 3.01 0.29 -5.03 117.46 112.84 3kvy n PHE 77 Ca -0.07 0.00 -0.59 0.00 1.01 0.00 0.00 57.45 57.80 3kvy n PHE 77 Cb 0.59 -0.09 -0.08 0.00 -0.01 0.00 0.00 39.48 39.89 3kvy n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kvy n ALA 78 N -1.73 -1.30 -2.69 4.37 0.00 -1.20 -4.98 120.51 112.97 3kvy n ALA 78 Ca -0.02 0.48 -0.06 0.00 0.00 0.00 0.00 53.44 53.85 3kvy n ALA 78 Cb 0.21 -2.03 0.08 0.00 0.00 0.00 0.00 19.45 17.71 3kvy n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kvy n ALA 82 N 3.65 0.05 -2.77 0.00 0.00 -1.26 -5.03 120.51 115.15 3kvy n ALA 82 Ca 0.24 -1.06 -0.35 0.00 0.00 0.00 0.00 53.44 52.28 3kvy n ALA 82 Cb 0.09 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 3kvy n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kvy s ASP 83 N -0.92 5.21 -0.56 0.00 3.68 -1.26 -5.08 116.67 117.74 3kvy s ASP 83 Ca 0.17 0.08 0.04 0.00 2.13 0.00 0.00 52.55 54.97 3kvy s ASP 83 Cb 0.30 -1.63 0.15 0.00 -1.45 0.00 0.00 42.92 40.30 3kvy s ASP 83 CO -0.07 0.30 0.36 -0.31 0.13 0.00 0.00 175.17 175.58 3kvy s TYR 84 N -0.41 2.82 0.25 -5.34 2.02 -1.26 -5.10 117.35 110.33 3kvy s TYR 84 Ca 0.08 -2.97 -0.30 0.00 -0.37 0.00 0.00 57.07 53.51 3kvy s TYR 84 Cb -0.12 -2.34 -0.10 0.00 -0.40 0.00 0.00 41.96 39.00 3kvy s TYR 84 CO 0.02 -0.68 1.35 -2.14 -1.57 0.00 0.00 175.55 172.53 3kvy s PRO 85 N -0.58 4.34 -0.34 -1.71 0.02 -1.26 -4.96 135.00 130.51 3kvy s PRO 85 Ca 0.22 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 63.13 3kvy s PRO 85 Cb -0.13 -3.14 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 3kvy s PRO 85 CO -0.09 -0.29 1.59 1.21 -0.33 0.00 0.00 177.00 179.09 3kvy s ASN 86 N 0.16 6.19 0.57 2.53 2.47 -1.26 -4.62 114.94 120.98 3kvy s ASN 86 Ca 0.56 1.17 0.36 0.00 0.42 0.00 0.00 52.86 55.36 3kvy s ASN 86 Cb -0.39 -2.53 1.58 0.00 -1.45 0.00 0.00 41.25 38.46 3kvy s ASN 86 CO 0.43 -1.49 2.06 0.40 -3.72 0.00 0.00 177.10 174.78 3kvy h ILE 87 N 6.52 0.00 -0.77 -5.21 2.04 -1.15 -2.56 117.51 116.37 3kvy h ILE 87 Ca -0.31 -0.40 -0.30 0.00 1.00 0.00 0.00 64.86 64.86 3kvy h ILE 87 Cb 1.14 1.39 -0.18 0.00 -0.74 0.00 0.00 36.82 38.43 3kvy h ILE 87 CO 1.05 0.00 0.38 0.00 0.00 0.00 0.00 178.15 179.57 3kvy n GLU 89 N -0.41 1.25 0.00 0.00 -0.58 -0.97 -1.82 120.64 118.12 3kvy n GLU 89 Ca 0.44 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.63 3kvy n GLU 89 Cb 1.41 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 3kvy n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kvy n GLY 90 N 1.24 2.90 3.27 0.62 0.00 -1.26 -4.94 105.19 107.02 3kvy n GLY 90 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3kvy n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kvy s THR 91 N -2.66 0.75 -0.06 2.61 -1.32 -0.75 -4.92 115.64 109.29 3kvy s THR 91 Ca 0.00 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.57 3kvy s THR 91 Cb 0.00 -2.25 0.14 0.00 -1.51 0.00 0.00 72.50 68.88 3kvy s THR 91 CO 0.00 -0.37 1.04 -0.90 -2.21 0.00 0.00 174.62 172.18 3kvy n ASP 92 N -0.32 1.91 -0.04 8.08 3.85 -1.26 -4.79 116.55 123.98 3kvy n ASP 92 Ca -0.05 -2.47 -0.14 0.00 -0.71 0.00 0.00 54.79 51.42 3kvy n ASP 92 Cb 0.64 -0.22 -0.09 0.00 -1.35 0.00 0.00 41.12 40.10 3kvy n ASP 92 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3kvy h ARG 93 N 0.00 0.28 -4.24 0.11 2.47 -1.93 -3.46 114.38 107.61 3kvy h ARG 93 Ca 0.00 -0.18 -0.15 0.00 -1.26 0.00 0.00 59.98 58.38 3kvy h ARG 93 Cb 0.83 0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 29.01 3kvy h ARG 93 CO 0.00 0.78 -0.69 0.71 0.56 0.00 0.00 179.97 181.33 3kvy s TYR 94 N -3.97 0.51 0.21 3.04 1.51 -1.26 -4.78 117.35 112.61 3kvy s TYR 94 Ca -0.15 -0.87 0.09 0.00 -1.01 0.00 0.00 57.07 55.12 3kvy s TYR 94 Cb 0.04 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 3kvy s TYR 94 CO 0.75 -0.28 -0.02 0.00 -1.11 0.00 0.00 175.55 174.88 3kvy s ALA 95 N -3.08 3.12 -0.17 3.71 0.00 -1.26 -4.76 121.76 119.31 3kvy s ALA 95 Ca 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 51.96 50.37 3kvy s ALA 95 Cb 0.02 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.35 3kvy s ALA 95 CO -0.06 0.40 0.43 1.41 0.00 0.00 0.00 175.76 177.93 3kvy s MET 96 N -3.18 0.41 0.05 0.00 0.00 -1.26 -1.40 119.30 113.92 3kvy s MET 96 Ca 0.28 0.80 0.04 0.00 0.00 0.00 0.00 55.69 56.81 3kvy s MET 96 Cb -0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 34.83 34.72 3kvy s MET 96 CO 0.18 -0.15 -0.11 -0.06 0.00 0.00 0.00 175.02 174.88 3kvy s PHE 97 N 1.35 0.97 -0.02 4.11 0.40 0.56 -0.48 117.98 124.87 3kvy s PHE 97 Ca -0.09 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3kvy s PHE 97 Cb -0.08 -0.57 0.02 0.00 0.51 0.00 0.00 43.02 42.90 3kvy s PHE 97 CO -0.12 -0.00 -0.02 0.21 0.70 0.00 0.00 175.22 175.98 3kvy s LYS 98 N -1.42 0.41 -0.07 0.44 2.20 -1.26 -0.20 119.74 119.84 3kvy s LYS 98 Ca -0.04 -0.04 -0.03 0.00 -0.36 0.00 0.00 55.97 55.50 3kvy s LYS 98 Cb -0.09 -0.49 0.04 0.00 -1.51 0.00 0.00 37.83 35.78 3kvy s LYS 98 CO 0.01 -0.04 0.09 0.08 -0.36 0.00 0.00 175.35 175.13 3kvy s VAL 99 N 0.59 -0.14 0.00 4.02 1.01 -0.63 -4.98 120.40 120.27 3kvy s VAL 99 Ca -0.06 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3kvy s VAL 99 Cb -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3kvy s VAL 99 CO -0.01 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3kvy n GLY 100 N 5.30 3.58 0.50 4.51 0.00 -1.26 -1.46 105.19 116.37 3kvy n GLY 100 Ca -0.04 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.97 3kvy n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kvy n PRO 101 N 14.00 1.64 -4.12 1.61 -0.04 -1.26 -4.70 135.00 142.13 3kvy n PRO 101 Ca 0.00 -0.98 -0.35 0.00 -0.04 0.00 0.00 63.50 62.13 3kvy n PRO 101 Cb 0.00 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.08 3kvy n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kvy s VAL 102 N -1.68 4.27 -0.14 0.52 1.01 -0.53 -0.71 120.40 123.15 3kvy s VAL 102 Ca 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 3kvy s VAL 102 Cb 0.12 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3kvy s VAL 102 CO 0.16 0.45 -0.14 -0.22 0.00 0.00 0.00 175.10 175.36 3kvy s LEU 103 N 0.65 2.63 -0.22 3.92 2.96 0.20 -1.60 118.68 127.22 3kvy s LEU 103 Ca 0.01 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3kvy s LEU 103 Cb -0.14 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.96 3kvy s LEU 103 CO 0.02 0.13 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.56 3kvy s SER 104 N 0.55 4.09 -0.04 3.68 0.15 0.72 -0.67 113.70 122.19 3kvy s SER 104 Ca -0.09 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.06 3kvy s SER 104 Cb -0.16 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 3kvy s SER 104 CO 0.04 -0.04 -0.13 -0.69 1.20 0.00 0.00 173.24 173.62 3kvy s VAL 105 N 1.42 1.10 0.42 4.45 1.01 -0.35 -0.32 120.40 128.13 3kvy s VAL 105 Ca 0.05 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3kvy s VAL 105 Cb -0.14 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3kvy s VAL 105 CO -0.05 0.33 0.75 -0.94 0.00 0.00 0.00 175.10 175.19 3kvy s SER 106 N 0.20 6.41 0.00 3.32 1.04 -0.50 -1.93 113.70 122.24 3kvy s SER 106 Ca -0.05 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.38 3kvy s SER 106 Cb -0.11 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3kvy s SER 106 CO 0.02 -0.44 0.26 0.00 0.98 0.00 0.00 173.24 174.05 3kvy n HIS 107 N -1.63 0.00 -4.62 5.02 1.44 0.25 -4.50 115.22 111.18 3kvy n HIS 107 Ca 0.01 -0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3kvy n HIS 107 Cb 0.54 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 3kvy n HIS 107 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kvy n GLY 108 N -0.03 0.16 3.24 -1.39 0.00 -0.90 -3.49 105.19 102.78 3kvy n GLY 108 Ca 0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 3kvy n GLY 108 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kvy s MET 109 N 0.00 2.95 0.00 1.61 -1.94 -1.26 -4.34 119.30 116.32 3kvy s MET 109 Ca 0.00 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.10 3kvy s MET 109 Cb 0.00 -2.28 0.00 0.00 2.01 0.00 0.00 34.83 34.56 3kvy s MET 109 CO 0.00 0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.65 3kvy n GLY 110 N 3.39 2.70 0.28 -0.03 0.00 -1.26 -4.50 105.19 105.77 3kvy n GLY 110 Ca -0.19 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 3kvy n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kvy h VAL 111 N 0.00 0.34 -0.35 1.61 2.07 -1.79 -1.80 116.25 116.33 3kvy h VAL 111 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3kvy h VAL 111 Cb 0.00 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3kvy h VAL 111 CO 0.00 0.00 -0.13 -0.65 0.02 0.00 0.00 177.57 176.81 3kvy h PRO 112 N -0.12 0.62 -0.52 1.57 0.11 -1.91 -0.51 132.00 131.25 3kvy h PRO 112 Ca 0.22 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 3kvy h PRO 112 Cb 0.48 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3kvy h PRO 112 CO -0.56 0.74 0.19 1.03 -0.21 0.00 0.00 178.00 179.19 3kvy h SER 113 N 0.57 0.73 0.92 -2.05 0.87 -1.68 -1.62 113.55 111.28 3kvy h SER 113 Ca 0.10 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.31 3kvy h SER 113 Cb 0.56 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3kvy h SER 113 CO 0.04 0.71 -0.81 -0.29 -0.53 0.00 0.00 176.83 175.95 3kvy h ILE 114 N 0.70 1.52 -0.54 2.23 2.10 -1.21 -3.08 117.51 119.23 3kvy h ILE 114 Ca 0.17 -2.82 -0.06 0.00 1.08 0.00 0.00 64.86 63.23 3kvy h ILE 114 Cb 0.23 2.55 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 3kvy h ILE 114 CO -0.01 0.79 0.09 0.00 -1.08 0.00 0.00 178.15 177.94 3kvy h ALA 115 N 1.19 0.71 -0.36 0.18 0.00 -0.90 0.62 119.26 120.72 3kvy h ALA 115 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3kvy h ALA 115 Cb 1.48 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3kvy h ALA 115 CO 0.10 0.45 0.19 0.82 0.00 0.00 0.00 179.25 180.82 3kvy h ILE 116 N 0.77 1.01 -0.57 0.00 2.04 -1.34 -2.08 117.51 117.34 3kvy h ILE 116 Ca 0.16 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3kvy h ILE 116 Cb 0.41 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3kvy h ILE 116 CO 0.01 0.07 0.35 -0.03 0.00 0.00 0.00 178.15 178.56 3kvy h MET 117 N 0.40 0.77 -0.07 2.37 4.05 -1.40 -2.90 114.93 118.15 3kvy h MET 117 Ca 0.14 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3kvy h MET 117 Cb 0.03 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 3kvy h MET 117 CO -0.08 0.54 0.01 -0.07 0.23 0.00 0.00 176.91 177.54 3kvy h LEU 118 N 0.77 0.10 -0.53 3.39 3.38 -0.67 0.85 115.31 122.60 3kvy h LEU 118 Ca 0.21 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3kvy h LEU 118 Cb -0.03 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.58 3kvy h LEU 118 CO -0.04 0.32 -0.20 0.45 0.09 0.00 0.00 178.44 179.06 3kvy h HIS 119 N -0.12 -0.49 -0.07 1.13 3.86 -1.34 0.14 115.15 118.25 3kvy h HIS 119 Ca 0.02 0.05 -0.18 0.00 -1.16 0.00 0.00 60.37 59.10 3kvy h HIS 119 Cb 0.26 0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3kvy h HIS 119 CO 0.01 -0.29 -0.72 0.93 0.86 0.00 0.00 177.93 178.71 3kvy h GLU 120 N -0.08 0.36 -0.33 2.45 5.08 -1.40 -2.72 114.58 117.95 3kvy h GLU 120 Ca 0.25 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3kvy h GLU 120 Cb 0.46 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3kvy h GLU 120 CO -0.58 0.94 -0.17 1.25 -1.00 0.00 0.00 179.01 179.45 3kvy h LEU 121 N 0.25 0.72 -0.92 1.33 5.85 -0.33 -1.50 115.31 120.70 3kvy h LEU 121 Ca -0.03 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 3kvy h LEU 121 Cb 1.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3kvy h LEU 121 CO 0.12 0.97 0.02 0.40 -0.34 0.00 0.00 178.44 179.61 3kvy h ILE 122 N 0.47 1.24 -0.37 4.05 2.04 -0.76 -1.17 117.51 123.01 3kvy h ILE 122 Ca 0.07 -0.98 -0.12 0.00 1.00 0.00 0.00 64.86 64.83 3kvy h ILE 122 Cb 0.70 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3kvy h ILE 122 CO 0.05 0.35 -0.26 0.11 0.00 0.00 0.00 178.15 178.40 3kvy h LYS 123 N 0.76 0.76 -0.59 2.37 1.57 -1.44 -1.85 116.57 118.14 3kvy h LYS 123 Ca 0.15 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3kvy h LYS 123 Cb 0.43 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3kvy h LYS 123 CO 0.02 0.94 0.38 1.25 -0.57 0.00 0.00 179.45 181.46 3kvy h LEU 124 N 0.65 0.63 -0.67 2.94 6.46 -0.77 0.76 115.31 125.32 3kvy h LEU 124 Ca 0.08 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.72 3kvy h LEU 124 Cb 0.78 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 3kvy h LEU 124 CO 0.06 0.45 -0.24 -0.07 -0.62 0.00 0.00 178.44 178.02 3kvy h LEU 125 N 0.75 0.79 -0.26 2.25 3.38 -1.13 -0.94 115.31 120.15 3kvy h LEU 125 Ca 0.23 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kvy h LEU 125 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3kvy h LEU 125 CO -0.07 1.00 0.11 0.22 0.09 0.00 0.00 178.44 179.79 3kvy h TYR 126 N 0.67 0.39 -0.85 1.13 5.03 -0.88 -0.98 116.97 121.49 3kvy h TYR 126 Ca 0.09 -0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 3kvy h TYR 126 Cb 0.76 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.88 3kvy h TYR 126 CO 0.04 0.40 0.50 0.45 -1.32 0.00 0.00 178.16 178.23 3kvy h HIS 127 N 0.27 1.12 0.00 -3.82 3.86 -0.68 0.13 115.15 116.03 3kvy h HIS 127 Ca 0.09 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3kvy h HIS 127 Cb 0.17 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.27 3kvy h HIS 127 CO -0.01 0.75 0.00 0.00 0.86 0.00 0.00 177.93 179.53 3kvy n ALA 128 N -2.41 1.98 -3.80 2.45 0.00 -0.37 -4.32 120.51 114.04 3kvy n ALA 128 Ca 0.09 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 3kvy n ALA 128 Cb 0.07 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.17 3kvy n ALA 128 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kvy n HIS 129 N -1.81 -2.12 -1.34 0.00 8.25 0.03 -4.35 115.22 113.87 3kvy n HIS 129 Ca 0.05 0.88 -0.33 0.00 -0.26 0.00 0.00 57.72 58.05 3kvy n HIS 129 Cb 0.28 -4.22 0.10 0.00 1.12 0.00 0.00 29.99 27.27 3kvy n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kvy s SER 131 N -2.35 0.13 -1.32 0.00 1.04 -1.26 -2.54 113.70 107.39 3kvy s SER 131 Ca 0.71 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.80 3kvy s SER 131 Cb -0.26 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.01 3kvy s SER 131 CO 0.48 -0.26 0.90 0.61 0.98 0.00 0.00 173.24 175.95 3kvy n GLY 132 N 1.87 -0.38 3.85 7.32 0.00 0.12 -4.82 105.19 113.15 3kvy n GLY 132 Ca -0.21 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3kvy n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvy s VAL 133 N -3.48 4.74 -0.08 1.61 1.01 -1.26 -4.84 120.40 118.10 3kvy s VAL 133 Ca 0.19 0.86 0.04 0.00 0.00 0.00 0.00 61.98 63.07 3kvy s VAL 133 Cb -0.09 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3kvy s VAL 133 CO 0.78 -0.08 -0.22 -0.89 0.00 0.00 0.00 175.10 174.69 3kvy s THR 134 N -1.85 2.30 -0.22 3.92 2.01 0.45 -4.41 115.64 117.83 3kvy s THR 134 Ca 0.50 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 3kvy s THR 134 Cb -0.12 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 3kvy s THR 134 CO 0.19 0.56 0.01 -0.76 -0.69 0.00 0.00 174.62 173.93 3kvy s LEU 135 N 0.04 3.20 -0.08 4.42 2.01 -0.65 -0.43 118.68 127.20 3kvy s LEU 135 Ca -0.09 -0.26 -0.00 0.00 0.01 0.00 0.00 54.13 53.79 3kvy s LEU 135 Cb -0.15 -1.83 0.02 0.00 0.01 0.00 0.00 46.19 44.24 3kvy s LEU 135 CO 0.05 0.00 -0.05 -0.63 1.01 0.00 0.00 176.35 176.74 3kvy s ILE 136 N 1.37 0.72 -0.14 -0.59 1.01 0.25 -1.28 121.20 122.55 3kvy s ILE 136 Ca 0.05 -0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 3kvy s ILE 136 Cb -0.15 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 3kvy s ILE 136 CO 0.01 0.31 0.91 -0.60 0.00 0.00 0.00 174.94 175.57 3kvy s ARG 137 N 1.61 4.36 -0.28 2.79 3.52 -0.48 -1.30 118.95 129.17 3kvy s ARG 137 Ca 0.01 1.19 -0.05 0.00 -0.13 0.00 0.00 55.73 56.75 3kvy s ARG 137 Cb -0.13 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3kvy s ARG 137 CO -0.05 -0.31 0.04 0.96 -0.81 0.00 0.00 175.30 175.13 3kvy s ILE 138 N 2.04 3.61 0.00 4.11 -4.36 0.19 -0.76 121.20 126.03 3kvy s ILE 138 Ca 0.43 -0.84 0.00 0.00 -0.26 0.00 0.00 60.65 59.98 3kvy s ILE 138 Cb -0.17 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.66 3kvy s ILE 138 CO 0.15 0.09 0.00 0.61 0.24 0.00 0.00 174.94 176.03 3kvy n GLY 139 N 4.80 4.72 3.40 6.27 0.00 -0.54 -4.30 105.19 119.55 3kvy n GLY 139 Ca -0.15 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 3kvy n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvy s THR 140 N -1.37 1.49 0.16 2.61 -4.23 -1.26 -1.85 115.64 111.19 3kvy s THR 140 Ca 0.00 -2.10 -0.24 0.00 -1.18 0.00 0.00 61.69 58.17 3kvy s THR 140 Cb 0.00 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.49 3kvy s THR 140 CO 0.00 -0.30 1.02 -0.94 -0.54 0.00 0.00 174.62 173.86 3kvy s SER 141 N -3.41 -0.07 -0.17 3.99 1.04 -0.60 -4.82 113.70 109.66 3kvy s SER 141 Ca 0.29 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.10 3kvy s SER 141 Cb 0.04 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3kvy s SER 141 CO 0.11 -0.92 0.11 -0.83 0.98 0.00 0.00 173.24 172.69 3kvy s GLY 142 N -3.19 2.04 0.47 7.32 0.00 -0.18 -1.33 107.32 112.45 3kvy s GLY 142 Ca 0.17 -0.69 -0.10 0.00 0.00 0.00 0.00 44.72 44.11 3kvy s GLY 142 CO 0.04 -0.07 0.83 -0.32 0.00 0.00 0.00 173.10 173.58 3kvy s GLY 143 N -0.12 1.78 -0.24 0.20 0.00 -0.03 -0.24 107.32 108.69 3kvy s GLY 143 Ca 0.09 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.59 3kvy s GLY 143 CO 0.00 -0.04 -0.10 -0.42 0.00 0.00 0.00 173.10 172.54 3kvy s ILE 144 N -2.62 1.90 -0.81 0.90 1.01 -0.54 -0.62 121.20 120.42 3kvy s ILE 144 Ca 0.51 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3kvy s ILE 144 Cb -0.10 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3kvy s ILE 144 CO 0.38 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3kvy n GLY 145 N 4.55 0.77 3.34 6.18 0.00 -1.26 -4.78 105.19 113.99 3kvy n GLY 145 Ca -0.14 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 3kvy n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvy s LEU 146 N -1.95 2.38 0.26 0.99 1.43 -1.26 -5.12 118.68 115.42 3kvy s LEU 146 Ca 0.00 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.00 3kvy s LEU 146 Cb 0.00 -0.95 -0.11 0.00 0.03 0.00 0.00 46.19 45.16 3kvy s LEU 146 CO 0.00 0.05 1.61 -0.70 0.23 0.00 0.00 176.35 177.54 3kvy s GLU 147 N -2.41 4.14 0.32 1.70 2.12 -1.26 -4.38 118.70 118.93 3kvy s GLU 147 Ca 0.13 2.56 -0.28 0.00 0.36 0.00 0.00 54.97 57.74 3kvy s GLU 147 Cb -0.08 -3.05 -0.13 0.00 0.26 0.00 0.00 34.13 31.13 3kvy s GLU 147 CO 0.06 -0.65 1.17 -2.30 -0.54 0.00 0.00 175.26 173.01 3kvy n PRO 148 N 2.72 1.81 -0.06 4.30 -0.02 -1.26 -1.67 135.00 140.81 3kvy n PRO 148 Ca 0.10 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3kvy n PRO 148 Cb 0.37 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3kvy n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvy n GLY 149 N 0.95 1.06 3.77 -1.23 0.00 0.14 -5.01 105.19 104.87 3kvy n GLY 149 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3kvy n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvy s SER 150 N -2.80 6.46 -0.15 1.61 0.01 -0.67 -4.63 113.70 113.53 3kvy s SER 150 Ca 0.00 2.55 -0.07 0.00 1.31 0.00 0.00 55.95 59.74 3kvy s SER 150 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 3kvy s SER 150 CO 0.00 -0.74 0.10 -0.69 0.41 0.00 0.00 173.24 172.32 3kvy s VAL 151 N -1.29 5.12 -0.15 3.43 1.01 0.11 -0.27 120.40 128.37 3kvy s VAL 151 Ca 0.55 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3kvy s VAL 151 Cb -0.36 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3kvy s VAL 151 CO 0.46 0.53 -0.08 -0.69 0.00 0.00 0.00 175.10 175.32 3kvy s VAL 152 N -0.27 3.50 -0.29 2.92 1.01 0.27 -0.87 120.40 126.68 3kvy s VAL 152 Ca 0.10 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3kvy s VAL 152 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3kvy s VAL 152 CO 0.01 0.50 0.27 -0.63 0.00 0.00 0.00 175.10 175.25 3kvy s ILE 153 N 0.44 5.25 -0.27 2.22 1.01 -0.21 -1.75 121.20 127.89 3kvy s ILE 153 Ca -0.06 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 3kvy s ILE 153 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3kvy s ILE 153 CO 0.04 0.17 1.51 -0.89 0.00 0.00 0.00 174.94 175.77 3kvy s THR 154 N 1.88 3.84 0.06 2.92 2.01 -0.32 -2.70 115.64 123.33 3kvy s THR 154 Ca 0.10 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 62.88 3kvy s THR 154 Cb -0.16 -3.88 -0.20 0.00 0.01 0.00 0.00 72.50 68.27 3kvy s THR 154 CO 0.11 -0.40 1.22 -0.09 -0.69 0.00 0.00 174.62 174.77 3kvy h ARG 155 N 10.41 0.65 -2.57 4.92 2.43 -1.57 -3.42 114.38 125.23 3kvy h ARG 155 Ca -0.31 -0.61 -0.10 0.00 -0.81 0.00 0.00 59.98 58.15 3kvy h ARG 155 Cb 1.13 0.15 -0.26 0.00 -0.42 0.00 0.00 29.97 30.57 3kvy h ARG 155 CO 1.02 1.21 -0.28 -1.14 -1.51 0.00 0.00 179.97 179.27 3kvy s GLN 156 N -3.50 0.41 0.24 0.20 0.74 -1.26 -3.16 119.66 113.33 3kvy s GLN 156 Ca -0.11 0.86 -0.23 0.00 0.05 0.00 0.00 55.36 55.93 3kvy s GLN 156 Cb 0.07 0.04 -0.09 0.00 1.10 0.00 0.00 33.01 34.13 3kvy s GLN 156 CO 0.88 -0.17 0.80 0.00 -0.55 0.00 0.00 175.29 176.25 3kvy s ALA 157 N 1.60 3.36 0.02 1.58 0.00 -0.92 -1.71 121.76 125.68 3kvy s ALA 157 Ca -0.08 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 3kvy s ALA 157 Cb -0.09 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 3kvy s ALA 157 CO -0.13 0.27 -0.01 0.08 0.00 0.00 0.00 175.76 175.97 3kvy s VAL 158 N -1.48 0.11 0.79 0.00 1.01 0.12 -4.29 120.40 116.66 3kvy s VAL 158 Ca 0.44 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3kvy s VAL 158 Cb -0.18 -0.28 0.13 0.00 0.00 0.00 0.00 36.38 36.05 3kvy s VAL 158 CO 0.23 -0.48 1.09 1.51 0.00 0.00 0.00 175.10 177.46 3kvy s ASP 159 N -1.43 4.10 0.00 3.32 3.84 0.63 -1.08 116.67 126.04 3kvy s ASP 159 Ca -0.16 0.03 0.14 0.00 -0.00 0.00 0.00 52.55 52.56 3kvy s ASP 159 Cb -0.10 -0.38 0.80 0.00 -1.38 0.00 0.00 42.92 41.86 3kvy s ASP 159 CO -0.01 -2.05 1.29 -2.65 -0.00 0.00 0.00 175.17 171.75 3kvy n PRO 160 N -3.13 0.37 -0.41 2.11 -0.02 -1.26 0.12 135.00 132.78 3kvy n PRO 160 Ca 0.13 0.05 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 3kvy n PRO 160 Cb 0.60 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.84 3kvy n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvy n PHE 162 N 0.54 0.00 -3.28 0.00 0.99 0.33 -5.03 117.46 111.00 3kvy n PHE 162 Ca 0.20 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.26 3kvy n PHE 162 Cb 0.72 -1.32 -0.06 0.00 -1.00 0.00 0.00 39.48 37.83 3kvy n PHE 162 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3kvy s LYS 163 N -1.53 4.20 -1.31 -1.08 1.02 -1.26 -4.71 119.74 115.06 3kvy s LYS 163 Ca 0.00 0.72 -0.11 0.00 0.02 0.00 0.00 55.97 56.60 3kvy s LYS 163 Cb 0.00 -3.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 3kvy s LYS 163 CO 0.00 0.62 2.46 -0.35 -0.92 0.00 0.00 175.35 177.16 3kvy n PRO 164 N 1.80 2.85 -4.02 -1.68 -0.04 -1.26 -0.27 135.00 132.38 3kvy n PRO 164 Ca -0.10 -2.07 -0.13 0.00 -0.04 0.00 0.00 63.50 61.15 3kvy n PRO 164 Cb 0.51 -2.85 -0.14 0.00 -0.04 0.00 0.00 33.50 30.98 3kvy n PRO 164 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kvy s GLU 165 N 3.06 0.25 -0.15 0.54 2.02 -1.26 -2.40 118.70 120.76 3kvy s GLU 165 Ca 0.56 -0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.35 3kvy s GLU 165 Cb 0.15 -0.19 -0.00 0.00 0.10 0.00 0.00 34.13 34.19 3kvy s GLU 165 CO -0.04 0.05 -0.14 0.12 0.02 0.00 0.00 175.26 175.26 3kvy s PHE 166 N -0.31 2.79 -0.15 1.61 2.19 0.05 -4.39 117.98 119.77 3kvy s PHE 166 Ca -0.02 -0.97 -0.05 0.00 0.33 0.00 0.00 56.93 56.22 3kvy s PHE 166 Cb -0.03 -1.89 -0.03 0.00 -1.31 0.00 0.00 43.02 39.76 3kvy s PHE 166 CO -0.00 -0.44 0.02 -2.00 1.83 0.00 0.00 175.22 174.63 3kvy s GLU 167 N 0.77 3.67 0.01 10.12 2.12 -1.26 -1.09 118.70 133.05 3kvy s GLU 167 Ca -0.06 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 54.89 3kvy s GLU 167 Cb -0.15 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 3kvy s GLU 167 CO 0.01 0.37 -0.06 -1.14 -0.54 0.00 0.00 175.26 173.89 3kvy s GLN 168 N 0.07 0.46 -0.26 4.30 0.74 0.42 -4.98 119.66 120.41 3kvy s GLN 168 Ca 0.03 -0.41 -0.11 0.00 0.05 0.00 0.00 55.36 54.92 3kvy s GLN 168 Cb -0.13 -0.36 -0.05 0.00 1.10 0.00 0.00 33.01 33.57 3kvy s GLN 168 CO 0.02 0.09 0.20 0.42 -0.55 0.00 0.00 175.29 175.47 3kvy s ILE 169 N -0.62 5.31 -0.15 -2.34 1.01 -1.26 -0.38 121.20 122.77 3kvy s ILE 169 Ca -0.03 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.85 3kvy s ILE 169 Cb -0.05 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.90 3kvy s ILE 169 CO 0.00 0.27 -0.15 -0.69 0.00 0.00 0.00 174.94 174.37 3kvy s VAL 170 N 1.57 1.59 -1.62 2.92 1.01 0.56 -4.66 120.40 121.77 3kvy s VAL 170 Ca 0.08 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 3kvy s VAL 170 Cb -0.15 -1.49 0.11 0.00 0.00 0.00 0.00 36.38 34.85 3kvy s VAL 170 CO 0.09 0.46 0.68 0.18 0.00 0.00 0.00 175.10 176.51 3kvy n LEU 171 N 4.71 -1.85 0.00 3.92 4.77 -1.26 -0.72 117.00 126.57 3kvy n LEU 171 Ca -0.17 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 3kvy n LEU 171 Cb 0.50 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.47 3kvy n LEU 171 CO 0.22 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3kvy n GLY 172 N -1.59 1.90 3.61 -0.72 0.00 -1.26 -5.01 105.19 102.11 3kvy n GLY 172 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3kvy n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kvy s LYS 173 N -0.07 2.70 0.14 1.61 0.00 0.10 -5.07 119.74 119.15 3kvy s LYS 173 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 55.97 55.06 3kvy s LYS 173 Cb 0.00 -2.58 -0.07 0.00 0.00 0.00 0.00 37.83 35.18 3kvy s LYS 173 CO 0.00 0.64 1.12 0.50 0.00 0.00 0.00 175.35 177.61 3kvy s ARG 174 N -1.11 4.55 0.04 1.78 3.52 -1.26 -0.32 118.95 126.15 3kvy s ARG 174 Ca 0.15 1.72 0.03 0.00 -0.13 0.00 0.00 55.73 57.49 3kvy s ARG 174 Cb -0.11 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3kvy s ARG 174 CO 0.05 -0.02 -0.09 -1.21 -0.81 0.00 0.00 175.30 173.22 3kvy s GLU 175 N 0.05 0.57 0.05 5.12 2.02 0.48 -4.94 118.70 122.05 3kvy s GLU 175 Ca 0.52 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.78 3kvy s GLU 175 Cb -0.29 -0.37 -0.02 0.00 0.10 0.00 0.00 34.13 33.55 3kvy s GLU 175 CO 0.33 0.07 -0.12 0.14 0.02 0.00 0.00 175.26 175.71 3kvy s VAL 176 N -1.32 0.89 0.09 2.63 -7.23 -1.26 -0.43 120.40 113.77 3kvy s VAL 176 Ca -0.08 -1.04 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 3kvy s VAL 176 Cb -0.10 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 3kvy s VAL 176 CO 0.01 -0.16 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.37 3kvy s ARG 177 N -1.34 0.88 0.51 4.82 0.52 -0.25 -4.95 118.95 119.14 3kvy s ARG 177 Ca -0.03 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 53.94 3kvy s ARG 177 Cb -0.09 -0.83 -0.07 0.00 0.52 0.00 0.00 34.95 34.48 3kvy s ARG 177 CO 0.01 0.17 1.06 1.21 0.02 0.00 0.00 175.30 177.78 3kvy s ASN 178 N -1.99 6.14 -0.23 0.23 2.47 -1.26 -0.77 114.94 119.53 3kvy s ASN 178 Ca 0.02 1.97 0.14 0.00 0.42 0.00 0.00 52.86 55.40 3kvy s ASN 178 Cb -0.08 -2.56 0.46 0.00 -1.45 0.00 0.00 41.25 37.61 3kvy s ASN 178 CO 0.02 -0.92 1.18 0.35 -3.72 0.00 0.00 177.10 174.01 3kvy n THR 179 N -1.15 1.88 -2.10 -5.21 -2.24 -1.01 -4.30 114.28 100.15 3kvy n THR 179 Ca 0.10 -3.32 -0.32 0.00 -2.27 0.00 0.00 64.05 58.24 3kvy n THR 179 Cb 0.52 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3kvy n THR 179 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kvy s ASP 180 N -3.36 5.97 0.20 3.42 1.01 -1.26 -2.17 116.67 120.49 3kvy s ASP 180 Ca 0.41 1.74 0.11 0.00 0.71 0.00 0.00 52.55 55.52 3kvy s ASP 180 Cb 0.38 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 3kvy s ASP 180 CO -0.03 -1.03 -0.20 -0.76 0.21 0.00 0.00 175.17 173.36 3kvy s LEU 181 N -4.46 2.59 -0.13 1.23 1.43 -1.19 -4.89 118.68 113.26 3kvy s LEU 181 Ca 0.62 -0.82 -0.33 0.00 -1.03 0.00 0.00 54.13 52.56 3kvy s LEU 181 Cb -0.14 -1.28 -0.11 0.00 0.03 0.00 0.00 46.19 44.69 3kvy s LEU 181 CO 0.37 0.10 1.97 -0.67 0.23 0.00 0.00 176.35 178.35 3kvy n ASP 182 N 0.06 3.32 0.01 2.29 -0.08 -1.25 -4.87 116.55 116.02 3kvy n ASP 182 Ca -0.11 0.81 -0.10 0.00 -1.51 0.00 0.00 54.79 53.88 3kvy n ASP 182 Cb 0.56 -1.39 0.05 0.00 2.34 0.00 0.00 41.12 42.69 3kvy n ASP 182 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3kvy h GLU 183 N 10.41 0.55 -0.30 -0.67 4.57 -1.94 -2.59 114.58 124.61 3kvy h GLU 183 Ca -0.45 -0.35 -0.08 0.00 -1.18 0.00 0.00 59.36 57.30 3kvy h GLU 183 Cb 1.27 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 3kvy h GLU 183 CO 0.96 0.96 -0.13 0.37 -1.18 0.00 0.00 179.01 179.99 3kvy h GLN 184 N 0.42 0.52 -0.40 1.92 4.15 -2.00 -2.84 115.11 116.89 3kvy h GLN 184 Ca 0.01 -0.16 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 3kvy h GLN 184 Cb 1.11 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 3kvy h GLN 184 CO 0.11 0.65 -0.24 1.25 -1.93 0.00 0.00 178.83 178.66 3kvy h LEU 185 N 0.48 0.90 -0.61 -2.39 6.46 -1.90 -1.50 115.31 116.75 3kvy h LEU 185 Ca 0.09 -0.42 -0.06 0.00 -0.12 0.00 0.00 57.88 57.36 3kvy h LEU 185 Cb 0.52 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3kvy h LEU 185 CO 0.03 1.13 0.14 -0.37 -0.62 0.00 0.00 178.44 178.75 3kvy h VAL 186 N 0.68 1.25 -0.14 1.05 -1.51 -1.35 -1.06 116.25 115.17 3kvy h VAL 186 Ca 0.08 -0.94 -0.10 0.00 -1.23 0.00 0.00 66.70 64.51 3kvy h VAL 186 Cb 0.81 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3kvy h VAL 186 CO 0.07 0.35 -0.35 -0.61 -1.23 0.00 0.00 177.57 175.79 3kvy h GLN 187 N 0.90 0.29 -0.47 5.19 5.75 -1.48 -0.57 115.11 124.72 3kvy h GLN 187 Ca 0.19 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.48 3kvy h GLN 187 Cb 0.37 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 3kvy h GLN 187 CO 0.00 0.61 -0.06 1.49 -2.65 0.00 0.00 178.83 178.23 3kvy h GLU 188 N 0.25 0.87 -0.57 1.69 4.81 -0.84 -2.16 114.58 118.64 3kvy h GLU 188 Ca 0.03 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 3kvy h GLU 188 Cb 0.75 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3kvy h GLU 188 CO 0.06 0.94 0.05 -0.07 -0.73 0.00 0.00 179.01 179.26 3kvy h LEU 189 N 0.72 0.90 -0.78 1.64 -0.00 -0.93 -1.65 115.31 115.21 3kvy h LEU 189 Ca 0.13 -0.21 0.03 0.00 -0.00 0.00 0.00 57.88 57.82 3kvy h LEU 189 Cb 0.59 -0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 40.96 3kvy h LEU 189 CO 0.04 0.93 0.50 0.00 -0.00 0.00 0.00 178.44 179.90 3kvy h ALA 190 N 1.17 1.02 -0.68 1.53 0.00 -0.93 -1.40 119.26 119.97 3kvy h ALA 190 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3kvy h ALA 190 Cb 0.44 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kvy h ALA 190 CO 0.02 0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.74 3kvy h ARG 191 N 0.98 1.10 -0.69 0.00 3.08 -1.03 -1.62 114.38 116.20 3kvy h ARG 191 Ca 0.31 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3kvy h ARG 191 Cb -0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3kvy h ARG 191 CO -0.10 0.98 0.38 0.00 -1.07 0.00 0.00 179.97 180.16 3kvy h SER 193 N 0.97 0.98 -0.99 0.00 0.87 -0.92 -2.51 113.55 111.95 3kvy h SER 193 Ca 0.25 -0.50 0.04 0.00 -1.23 0.00 0.00 61.79 60.35 3kvy h SER 193 Cb 0.03 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.65 3kvy h SER 193 CO -0.04 1.30 0.65 0.00 -0.53 0.00 0.00 176.83 178.21 3kvy h ALA 194 N 0.73 1.32 -0.30 6.23 0.00 -1.03 -1.70 119.26 124.51 3kvy h ALA 194 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kvy h ALA 194 Cb 1.08 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3kvy h ALA 194 CO 0.11 0.54 -0.15 0.93 0.00 0.00 0.00 179.25 180.69 3kvy h GLU 195 N 1.26 0.53 -0.05 0.00 5.08 -1.15 -3.03 114.58 117.21 3kvy h GLU 195 Ca 0.40 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3kvy h GLU 195 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3kvy h GLU 195 CO -0.13 0.67 0.01 -0.07 -1.00 0.00 0.00 179.01 178.49 3kvy h LEU 196 N 0.49 0.08 0.99 1.33 3.38 -0.94 -3.48 115.31 117.15 3kvy h LEU 196 Ca 0.09 -0.26 -0.31 0.00 0.09 0.00 0.00 57.88 57.49 3kvy h LEU 196 Cb 0.54 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 41.30 3kvy h LEU 196 CO 0.03 0.32 -0.45 0.61 0.09 0.00 0.00 178.44 179.05 3kvy n GLY 197 N -0.40 -0.23 0.03 0.83 0.00 -0.70 -4.93 105.19 99.78 3kvy n GLY 197 Ca -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 3kvy n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvy n GLU 198 N -3.06 1.60 -3.54 1.61 1.02 -1.26 -5.07 120.64 111.94 3kvy n GLU 198 Ca -0.11 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 56.85 3kvy n GLU 198 Cb 0.60 -1.24 -0.05 0.00 -0.02 0.00 0.00 31.44 30.74 3kvy n GLU 198 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3kvy s PHE 199 N -2.41 -0.47 0.19 -0.32 -0.71 -1.26 -5.14 117.98 107.86 3kvy s PHE 199 Ca -0.04 0.53 -0.31 0.00 -1.04 0.00 0.00 56.93 56.07 3kvy s PHE 199 Cb 0.04 0.39 -0.09 0.00 -1.21 0.00 0.00 43.02 42.14 3kvy s PHE 199 CO 0.39 -0.67 1.44 -2.14 -1.34 0.00 0.00 175.22 172.89 3kvy s PRO 200 N -2.52 4.29 -0.06 1.99 0.02 -1.26 -4.91 135.00 132.54 3kvy s PRO 200 Ca -0.05 2.23 -0.00 0.00 0.02 0.00 0.00 61.00 63.20 3kvy s PRO 200 Cb -0.01 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.38 3kvy s PRO 200 CO -0.02 -0.44 -0.01 0.99 -0.33 0.00 0.00 177.00 177.19 3kvy s THR 201 N 0.50 0.39 0.06 0.99 2.01 -1.26 -0.71 115.64 117.62 3kvy s THR 201 Ca 0.62 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.75 3kvy s THR 201 Cb -0.40 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3kvy s THR 201 CO 0.37 0.23 -0.23 0.68 -0.69 0.00 0.00 174.62 174.98 3kvy s VAL 202 N 1.48 1.83 -0.15 3.82 -7.23 -0.05 -4.97 120.40 115.13 3kvy s VAL 202 Ca -0.03 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 58.64 3kvy s VAL 202 Cb -0.13 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3kvy s VAL 202 CO -0.03 0.19 0.41 0.54 -0.31 0.00 0.00 175.10 175.90 3kvy s VAL 203 N -0.88 5.23 0.38 1.32 0.11 -1.26 -1.04 120.40 124.26 3kvy s VAL 203 Ca 0.09 0.78 -0.15 0.00 -2.93 0.00 0.00 61.98 59.77 3kvy s VAL 203 Cb -0.09 -3.74 0.05 0.00 -1.53 0.00 0.00 36.38 31.06 3kvy s VAL 203 CO 0.03 0.33 0.77 -0.83 -3.33 0.00 0.00 175.10 172.07 3kvy s GLY 204 N 0.65 0.42 0.43 6.54 0.00 -1.10 -4.94 107.32 109.32 3kvy s GLY 204 Ca 0.22 -0.78 -0.12 0.00 0.00 0.00 0.00 44.72 44.03 3kvy s GLY 204 CO 0.08 -0.35 0.82 -1.31 0.00 0.00 0.00 173.10 172.34 3kvy s ASN 205 N -3.08 6.55 -0.11 1.64 -0.87 -0.32 -1.35 114.94 117.41 3kvy s ASN 205 Ca 0.16 1.24 0.01 0.00 -1.57 0.00 0.00 52.86 52.71 3kvy s ASN 205 Cb -0.05 -2.37 0.02 0.00 -0.02 0.00 0.00 41.25 38.83 3kvy s ASN 205 CO 0.12 -0.44 -0.13 -0.89 -2.57 0.00 0.00 177.10 173.19 3kvy s THR 206 N -2.42 1.37 -0.09 1.60 2.01 -0.69 -0.75 115.64 116.66 3kvy s THR 206 Ca 0.53 -0.55 -0.19 0.00 0.31 0.00 0.00 61.69 61.79 3kvy s THR 206 Cb -0.10 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 3kvy s THR 206 CO 0.31 0.42 0.51 -0.32 -0.69 0.00 0.00 174.62 174.85 3kvy s MET 207 N 1.15 4.33 -0.19 4.92 1.75 -0.43 -0.70 119.30 130.13 3kvy s MET 207 Ca -0.04 0.53 -0.04 0.00 -1.25 0.00 0.00 55.69 54.88 3kvy s MET 207 Cb -0.14 -3.42 -0.02 0.00 2.84 0.00 0.00 34.83 34.09 3kvy s MET 207 CO -0.03 0.20 -0.02 0.00 -0.65 0.00 0.00 175.02 174.52 3kvy s THR 209 N 0.91 2.26 -2.66 0.00 -4.23 -0.41 -4.23 115.64 107.28 3kvy s THR 209 Ca 0.00 -2.30 0.24 0.00 -1.18 0.00 0.00 61.69 58.46 3kvy s THR 209 Cb -0.14 -2.42 0.35 0.00 1.34 0.00 0.00 72.50 71.63 3kvy s THR 209 CO 0.02 -0.33 1.40 0.18 -0.54 0.00 0.00 174.62 175.34 3kvy n LEU 210 N -0.66 2.87 -3.73 4.79 4.77 -1.26 -4.50 117.00 119.27 3kvy n LEU 210 Ca -0.05 -1.10 -0.12 0.00 -0.03 0.00 0.00 56.01 54.70 3kvy n LEU 210 Cb 0.62 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 3kvy n LEU 210 CO 0.40 0.55 0.01 -0.62 -1.33 0.00 0.00 177.39 176.40 3kvy s ASP 211 N -1.75 -0.39 0.22 -1.43 2.15 -1.26 -5.02 116.67 109.18 3kvy s ASP 211 Ca 0.34 0.73 0.11 0.00 0.43 0.00 0.00 52.55 54.16 3kvy s ASP 211 Cb 0.21 0.69 0.05 0.00 -0.30 0.00 0.00 42.92 43.57 3kvy s ASP 211 CO 0.31 -0.15 1.43 0.15 -0.17 0.00 0.00 175.17 176.73 3kvy h PHE 212 N 6.22 0.00 0.00 -5.34 3.04 -1.91 -3.13 116.94 115.82 3kvy h PHE 212 Ca -0.31 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.64 3kvy h PHE 212 Cb 1.18 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.69 3kvy h PHE 212 CO 0.35 0.73 0.00 0.66 -2.02 0.00 0.00 178.31 178.03 3kvy n TYR 213 N -3.40 0.00 0.08 0.41 4.02 -1.26 -4.12 117.16 112.90 3kvy n TYR 213 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 3kvy n TYR 213 Cb 0.79 0.00 0.45 0.00 -0.02 0.00 0.00 39.34 40.55 3kvy n TYR 213 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3kvy h GLU 214 N 0.00 0.35 0.00 -0.72 5.08 -1.83 0.83 114.58 118.29 3kvy h GLU 214 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kvy h GLU 214 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kvy h GLU 214 CO 0.00 0.31 0.00 0.78 -1.00 0.00 0.00 179.01 179.10 3kvy h GLY 215 N 0.52 0.00 -0.04 -3.84 0.00 -1.82 -2.66 103.07 95.23 3kvy h GLY 215 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3kvy h GLY 215 CO -0.01 0.00 -0.02 -1.06 0.00 0.00 0.00 176.54 175.45 3kvy n GLN 216 N -2.80 1.89 -1.57 4.80 6.02 -1.00 -4.80 117.38 119.92 3kvy n GLN 216 Ca -0.01 -1.99 -0.08 0.00 -0.01 0.00 0.00 57.00 54.91 3kvy n GLN 216 Cb 0.18 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 3kvy n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvy n GLY 217 N -0.94 0.64 3.78 1.08 0.00 -0.99 -5.01 105.19 103.76 3kvy n GLY 217 Ca 0.08 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3kvy n GLY 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kvy s ARG 218 N -3.30 3.37 0.00 1.61 0.52 0.25 -4.80 118.95 116.60 3kvy s ARG 218 Ca 0.00 1.50 0.24 0.00 -0.52 0.00 0.00 55.73 56.95 3kvy s ARG 218 Cb 0.00 -2.02 0.23 0.00 0.52 0.00 0.00 34.95 33.68 3kvy s ARG 218 CO 0.00 -0.81 1.27 1.28 0.02 0.00 0.00 175.30 177.06 3kvy n LEU 219 N -1.43 2.70 -1.03 2.53 4.77 -1.26 -4.57 117.00 118.72 3kvy n LEU 219 Ca 0.11 -0.91 0.07 0.00 -0.03 0.00 0.00 56.01 55.24 3kvy n LEU 219 Cb 0.52 -0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.87 3kvy n LEU 219 CO 0.43 0.46 0.73 -0.90 -1.33 0.00 0.00 177.39 176.78 3kvy n ASP 220 N 1.00 3.91 -2.75 -1.43 3.85 -1.26 -4.94 116.55 114.93 3kvy n ASP 220 Ca 0.14 -3.10 -0.11 0.00 -0.71 0.00 0.00 54.79 51.01 3kvy n ASP 220 Cb 0.56 -0.57 0.07 0.00 -1.35 0.00 0.00 41.12 39.83 3kvy n ASP 220 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kvy n GLY 221 N -0.49 -1.08 0.16 6.12 0.00 -1.26 -4.96 105.19 103.67 3kvy n GLY 221 Ca 0.24 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.67 3kvy n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvy h ALA 222 N -1.78 1.00 -3.77 4.61 0.00 -2.00 -3.44 119.26 113.88 3kvy h ALA 222 Ca -0.16 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.24 3kvy h ALA 222 Cb 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.93 3kvy h ALA 222 CO 0.12 0.00 -0.82 -0.51 0.00 0.00 0.00 179.25 178.04 3kvy s LEU 223 N -5.19 1.81 -0.30 0.00 1.02 -1.26 -5.12 118.68 109.65 3kvy s LEU 223 Ca 0.08 -0.28 -0.12 0.00 0.02 0.00 0.00 54.13 53.83 3kvy s LEU 223 Cb 0.09 -0.80 0.18 0.00 0.02 0.00 0.00 46.19 45.68 3kvy s LEU 223 CO 0.60 0.10 0.96 0.00 0.02 0.00 0.00 176.35 178.03 3kvy n SER 225 N 5.31 3.42 -4.16 0.00 3.41 -1.26 -5.02 113.62 115.32 3kvy n SER 225 Ca -0.07 -2.67 -0.26 0.00 -0.26 0.00 0.00 58.87 55.62 3kvy n SER 225 Cb 0.53 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 3kvy n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvy n TYR 226 N -0.25 0.88 -4.18 7.33 4.11 -1.26 -5.16 117.16 118.63 3kvy n TYR 226 Ca 0.17 -2.01 -0.24 0.00 -0.00 0.00 0.00 57.90 55.82 3kvy n TYR 226 Cb 0.71 -0.27 -0.07 0.00 -0.00 0.00 0.00 39.34 39.70 3kvy n TYR 226 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3kvy s THR 227 N -2.46 2.78 0.27 -3.48 -4.23 -1.26 -5.02 115.64 102.25 3kvy s THR 227 Ca 0.01 -1.78 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3kvy s THR 227 Cb -0.00 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.18 3kvy s THR 227 CO 0.01 -0.16 1.78 -0.08 -0.54 0.00 0.00 174.62 175.63 3kvy h GLU 228 N 1.61 0.72 -0.65 3.99 4.57 -2.00 -2.09 114.58 120.74 3kvy h GLU 228 Ca -0.43 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 57.62 3kvy h GLU 228 Cb 1.25 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.65 3kvy h GLU 228 CO 0.65 0.48 0.09 -0.22 -1.18 0.00 0.00 179.01 178.83 3kvy h LYS 229 N 0.74 1.09 -0.62 1.92 3.64 -1.99 -1.18 116.57 120.17 3kvy h LYS 229 Ca 0.49 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3kvy h LYS 229 Cb 0.65 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3kvy h LYS 229 CO -0.34 1.01 0.41 -0.44 -2.27 0.00 0.00 179.45 177.82 3kvy h ASP 230 N 1.01 0.72 0.27 4.20 3.32 -1.84 -2.19 116.42 121.90 3kvy h ASP 230 Ca 0.20 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3kvy h ASP 230 Cb 0.46 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3kvy h ASP 230 CO 0.02 0.53 -0.18 0.50 -1.72 0.00 0.00 179.24 178.39 3kvy h LYS 231 N 0.85 -0.43 -0.55 3.56 3.64 -1.00 -2.22 116.57 120.43 3kvy h LYS 231 Ca 0.23 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 3kvy h LYS 231 Cb -0.08 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 3kvy h LYS 231 CO -0.05 -0.29 0.13 1.96 -2.27 0.00 0.00 179.45 178.93 3kvy h GLN 232 N -0.45 0.26 0.00 1.90 1.08 -1.04 -0.19 115.11 116.67 3kvy h GLN 232 Ca -0.02 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 3kvy h GLN 232 Cb 0.38 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3kvy h GLN 232 CO 0.01 0.17 -0.59 0.38 -0.95 0.00 0.00 178.83 177.85 3kvy h ASP 233 N 0.27 0.00 -0.08 1.46 3.04 -1.30 0.84 116.42 120.65 3kvy h ASP 233 Ca 0.28 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 54.04 3kvy h ASP 233 Cb 0.39 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.67 3kvy h ASP 233 CO -0.35 0.59 -0.05 0.22 -2.04 0.00 0.00 179.24 177.61 3kvy h TYR 234 N 0.00 0.20 -0.37 4.15 3.20 -0.79 -1.92 116.97 121.44 3kvy h TYR 234 Ca -0.01 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 3kvy h TYR 234 Cb 1.17 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 3kvy h TYR 234 CO 0.00 0.57 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.00 3kvy h LEU 235 N -0.22 0.55 -0.37 2.82 3.38 -0.85 -1.04 115.31 119.59 3kvy h LEU 235 Ca 0.02 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 3kvy h LEU 235 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kvy h LEU 235 CO 0.01 0.64 -0.80 0.03 0.09 0.00 0.00 178.44 178.41 3kvy h ARG 236 N 0.56 0.23 -0.65 1.13 3.08 -0.85 -0.87 114.38 117.01 3kvy h ARG 236 Ca 0.12 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3kvy h ARG 236 Cb 0.38 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3kvy h ARG 236 CO 0.01 0.91 0.17 0.00 -1.07 0.00 0.00 179.97 180.00 3kvy h ALA 237 N 1.01 0.86 -0.32 0.04 0.00 -1.04 -0.52 119.26 119.28 3kvy h ALA 237 Ca -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3kvy h ALA 237 Cb 1.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3kvy h ALA 237 CO 0.12 0.56 0.15 0.00 0.00 0.00 0.00 179.25 180.08 3kvy h ALA 238 N 1.07 0.39 -0.75 0.00 0.00 -0.94 -2.02 119.26 117.01 3kvy h ALA 238 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kvy h ALA 238 Cb 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3kvy h ALA 238 CO -0.00 -0.23 0.48 -0.92 0.00 0.00 0.00 179.25 178.59 3kvy h TYR 239 N 0.32 0.91 0.00 0.00 3.20 -0.94 -1.71 116.97 118.76 3kvy h TYR 239 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3kvy h TYR 239 Cb 0.06 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 3kvy h TYR 239 CO -0.10 0.55 -0.08 0.00 -1.64 0.00 0.00 178.16 176.89 3kvy h ALA 240 N 1.30 1.27 -0.40 1.82 0.00 -0.72 -1.31 119.26 121.22 3kvy h ALA 240 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kvy h ALA 240 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kvy h ALA 240 CO -0.09 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3kvy n ALA 241 N -2.25 2.63 -0.45 0.00 0.00 -0.71 -4.90 120.51 114.83 3kvy n ALA 241 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3kvy n ALA 241 Cb 0.20 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3kvy n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvy n GLY 242 N 0.99 0.76 3.72 0.00 0.00 -0.49 -4.98 105.19 105.19 3kvy n GLY 242 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3kvy n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvy s ILE 243 N -2.24 4.83 -0.02 -0.61 1.01 -0.79 -1.17 121.20 122.21 3kvy s ILE 243 Ca 0.00 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.56 3kvy s ILE 243 Cb 0.00 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 3kvy s ILE 243 CO 0.00 0.23 0.04 0.54 0.00 0.00 0.00 174.94 175.74 3kvy n ARG 244 N 3.58 1.42 -3.97 2.79 5.12 0.08 -4.07 116.66 121.60 3kvy n ARG 244 Ca 0.03 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.84 3kvy n ARG 244 Cb 0.51 -0.94 -0.06 0.00 -1.16 0.00 0.00 32.46 30.81 3kvy n ARG 244 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kvy s ASN 245 N -1.95 -0.02 -0.06 0.55 4.22 -1.18 -1.47 114.94 115.03 3kvy s ASN 245 Ca -0.00 -0.89 0.01 0.00 -2.14 0.00 0.00 52.86 49.84 3kvy s ASN 245 Cb 0.01 0.49 0.02 0.00 1.28 0.00 0.00 41.25 43.05 3kvy s ASN 245 CO 0.06 -0.98 -0.05 -0.63 -2.04 0.00 0.00 177.10 173.46 3kvy s ILE 246 N -3.99 0.64 0.00 0.54 1.01 0.67 -1.31 121.20 118.77 3kvy s ILE 246 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3kvy s ILE 246 Cb 0.02 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.82 3kvy s ILE 246 CO 0.03 0.26 0.00 -1.84 0.00 0.00 0.00 174.94 173.39 3kvy n GLU 247 N 4.25 0.00 -0.74 2.79 -0.00 -0.33 -1.01 120.64 125.60 3kvy n GLU 247 Ca -0.21 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 56.98 3kvy n GLU 247 Cb 0.51 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 31.99 3kvy n GLU 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kvy n MET 248 N 0.00 0.28 0.00 3.44 2.81 -1.26 -1.29 117.12 121.10 3kvy n MET 248 Ca 0.00 -1.66 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 3kvy n MET 248 Cb 0.00 -0.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 3kvy n MET 248 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kvy n GLU 249 N -0.13 2.47 -0.35 0.03 4.71 -1.26 -2.42 120.64 123.70 3kvy n GLU 249 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.30 3kvy n GLU 249 Cb 0.82 -0.49 0.27 0.00 -1.01 0.00 0.00 31.44 31.03 3kvy n GLU 249 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kvy h ALA 250 N 0.00 1.54 0.11 0.62 0.00 -1.93 -2.80 119.26 116.81 3kvy h ALA 250 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kvy h ALA 250 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kvy h ALA 250 CO 0.00 0.07 -0.05 0.66 0.00 0.00 0.00 179.25 179.92 3kvy h SER 251 N 0.85 -0.13 -0.54 0.00 4.64 -1.91 -1.18 113.55 115.28 3kvy h SER 251 Ca 0.53 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.64 3kvy h SER 251 Cb 0.68 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3kvy h SER 251 CO -0.33 0.07 0.09 -0.37 -0.87 0.00 0.00 176.83 175.43 3kvy h VAL 252 N -0.32 1.25 -0.37 0.95 -1.51 -1.92 -1.06 116.25 113.27 3kvy h VAL 252 Ca -0.02 -0.94 0.08 0.00 -1.23 0.00 0.00 66.70 64.59 3kvy h VAL 252 Cb 0.27 0.82 -0.08 0.00 -2.13 0.00 0.00 31.29 30.17 3kvy h VAL 252 CO 0.02 0.34 -0.21 0.15 -1.23 0.00 0.00 177.57 176.65 3kvy h PHE 253 N 0.77 -0.53 -0.48 5.19 3.57 -1.43 0.70 116.94 124.74 3kvy h PHE 253 Ca 0.16 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 3kvy h PHE 253 Cb 0.40 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3kvy h PHE 253 CO 0.03 -0.28 -0.04 0.00 -2.23 0.00 0.00 178.31 175.78 3kvy h ALA 254 N 1.07 0.65 -0.10 2.41 0.00 -1.06 -2.16 119.26 120.07 3kvy h ALA 254 Ca 0.18 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kvy h ALA 254 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kvy h ALA 254 CO -0.46 0.49 0.04 0.00 0.00 0.00 0.00 179.25 179.33 3kvy h ALA 255 N 0.91 0.11 -0.21 0.00 0.00 -0.68 0.05 119.26 119.45 3kvy h ALA 255 Ca 0.13 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3kvy h ALA 255 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kvy h ALA 255 CO 0.03 -0.42 -0.58 0.52 0.00 0.00 0.00 179.25 178.80 3kvy h MET 256 N 0.09 0.76 -0.60 0.00 2.86 -0.82 -0.98 114.93 116.24 3kvy h MET 256 Ca 0.04 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 3kvy h MET 256 Cb 0.02 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3kvy h MET 256 CO -0.04 1.16 0.34 0.00 1.06 0.00 0.00 176.91 179.43 3kvy h ASN 258 N 0.81 -0.51 -0.88 0.00 -0.26 -0.83 0.46 115.58 114.37 3kvy h ASN 258 Ca 0.21 0.07 0.13 0.00 -0.56 0.00 0.00 56.30 56.15 3kvy h ASN 258 Cb 0.02 0.21 -0.07 0.00 -1.06 0.00 0.00 38.32 37.42 3kvy h ASN 258 CO -0.04 -0.24 0.57 0.00 -1.06 0.00 0.00 177.43 176.66 3kvy h ALA 259 N 0.61 1.77 -0.40 -0.83 0.00 -0.98 -1.74 119.26 117.68 3kvy h ALA 259 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kvy h ALA 259 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kvy h ALA 259 CO -0.15 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3kvy n GLY 261 N 1.40 -0.27 3.84 0.00 0.00 -0.55 -4.33 105.19 105.28 3kvy n GLY 261 Ca 0.19 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3kvy n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvy s LEU 262 N -4.80 4.47 -0.22 0.99 1.43 0.04 -5.00 118.68 115.59 3kvy s LEU 262 Ca 0.08 0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 53.84 3kvy s LEU 262 Cb -0.03 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.58 3kvy s LEU 262 CO 0.10 0.32 1.11 -0.13 0.23 0.00 0.00 176.35 177.97 3kvy s ARG 263 N -1.13 4.22 0.04 1.70 0.52 -1.26 -4.47 118.95 118.58 3kvy s ARG 263 Ca 0.24 1.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.86 3kvy s ARG 263 Cb -0.17 -3.69 -0.03 0.00 0.52 0.00 0.00 34.95 31.59 3kvy s ARG 263 CO 0.14 -0.69 -0.05 0.00 0.02 0.00 0.00 175.30 174.72 3kvy s ALA 264 N 3.36 0.45 0.06 2.13 0.00 -1.26 -1.63 121.76 124.87 3kvy s ALA 264 Ca 0.47 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3kvy s ALA 264 Cb -0.16 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3kvy s ALA 264 CO 0.10 -0.20 0.11 0.00 0.00 0.00 0.00 175.76 175.77 3kvy s ALA 265 N -2.44 -0.01 -0.12 0.00 0.00 -0.41 -3.94 121.76 114.84 3kvy s ALA 265 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3kvy s ALA 265 Cb -0.03 0.34 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3kvy s ALA 265 CO -0.04 -0.40 -0.15 0.08 0.00 0.00 0.00 175.76 175.25 3kvy s VAL 266 N -3.37 1.50 -0.23 0.00 1.01 -1.26 -1.38 120.40 116.67 3kvy s VAL 266 Ca 0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 3kvy s VAL 266 Cb 0.03 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 35.10 3kvy s VAL 266 CO -0.08 0.44 0.01 -0.69 0.00 0.00 0.00 175.10 174.78 3kvy s VAL 267 N 1.09 1.04 -0.03 2.92 1.01 0.06 -1.17 120.40 125.32 3kvy s VAL 267 Ca -0.04 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 60.97 3kvy s VAL 267 Cb -0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3kvy s VAL 267 CO -0.03 -0.26 -0.20 0.00 0.00 0.00 0.00 175.10 174.61 3kvy s VAL 269 N -0.28 4.49 -0.09 0.00 0.11 -0.77 -0.56 120.40 123.30 3kvy s VAL 269 Ca 0.03 1.31 -0.16 0.00 -2.93 0.00 0.00 61.98 60.23 3kvy s VAL 269 Cb -0.10 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.04 3kvy s VAL 269 CO 0.01 -0.18 0.40 0.28 -3.33 0.00 0.00 175.10 172.27 3kvy s THR 270 N -2.00 5.17 -0.26 5.04 -1.32 0.63 -1.56 115.64 121.33 3kvy s THR 270 Ca 0.56 0.80 0.22 0.00 -1.21 0.00 0.00 61.69 62.07 3kvy s THR 270 Cb -0.11 -3.73 -0.23 0.00 -1.51 0.00 0.00 72.50 66.92 3kvy s THR 270 CO 0.16 0.43 0.72 0.18 -2.21 0.00 0.00 174.62 173.90 3kvy n LEU 271 N 2.98 0.36 -3.52 9.08 4.77 -0.45 -0.68 117.00 129.54 3kvy n LEU 271 Ca -0.11 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 3kvy n LEU 271 Cb 0.52 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3kvy n LEU 271 CO 0.40 -0.00 0.53 -1.48 -1.33 0.00 0.00 177.39 175.51 3kvy s LEU 272 N -4.42 -0.43 -0.40 2.23 2.34 -1.26 -4.77 118.68 111.96 3kvy s LEU 272 Ca -0.03 -0.10 -0.20 0.00 0.06 0.00 0.00 54.13 53.86 3kvy s LEU 272 Cb 0.13 2.37 0.01 0.00 -0.56 0.00 0.00 46.19 48.15 3kvy s LEU 272 CO 0.87 -0.88 0.62 0.21 -1.06 0.00 0.00 176.35 176.11 3kvy s ASN 273 N -2.69 6.35 0.34 1.48 3.84 -1.26 -0.85 114.94 122.15 3kvy s ASN 273 Ca 0.04 -0.17 0.26 0.00 0.21 0.00 0.00 52.86 53.20 3kvy s ASN 273 Cb -0.02 -2.31 1.16 0.00 -0.55 0.00 0.00 41.25 39.53 3kvy s ASN 273 CO -0.08 -0.69 1.78 0.03 -2.79 0.00 0.00 177.10 175.34 3kvy h ARG 274 N 8.71 0.00 0.00 0.43 2.47 -1.03 -0.75 114.38 124.21 3kvy h ARG 274 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3kvy h ARG 274 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 3kvy h ARG 274 CO 0.86 0.00 0.00 1.28 0.56 0.00 0.00 179.97 182.67 3kvy n LEU 275 N -2.42 0.65 -0.08 3.04 4.77 -1.26 -3.20 117.00 118.50 3kvy n LEU 275 Ca 0.01 0.63 0.05 0.00 -0.03 0.00 0.00 56.01 56.67 3kvy n LEU 275 Cb 0.19 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 3kvy n LEU 275 CO 0.19 -0.44 0.05 -0.62 -1.33 0.00 0.00 177.39 175.24 3kvy n GLU 276 N -2.19 2.91 0.00 3.23 -0.58 -0.30 -5.08 120.64 118.63 3kvy n GLU 276 Ca 0.03 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3kvy n GLU 276 Cb 0.28 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 3kvy n GLU 276 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kvy n GLY 277 N 1.17 0.26 0.01 0.62 0.00 -1.13 -5.05 105.19 101.07 3kvy n GLY 277 Ca 0.03 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.95 3kvy n GLY 277 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kvy n ASP 278 N 0.00 4.18 -4.78 1.61 8.00 -1.26 -4.19 116.55 120.12 3kvy n ASP 278 Ca 0.00 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.12 3kvy n ASP 278 Cb 0.00 0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 3kvy n ASP 278 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kvy s GLN 279 N -2.03 4.47 -0.88 -1.24 -1.52 -1.26 -5.00 119.66 112.20 3kvy s GLN 279 Ca -0.02 1.45 -0.17 0.00 -1.95 0.00 0.00 55.36 54.68 3kvy s GLN 279 Cb 0.00 -2.79 0.17 0.00 -0.22 0.00 0.00 33.01 30.17 3kvy s GLN 279 CO 0.04 0.15 0.97 0.42 -0.25 0.00 0.00 175.29 176.62 3kvy s ILE 280 N -1.55 5.10 -1.38 1.08 1.01 -1.26 -4.84 121.20 119.36 3kvy s ILE 280 Ca 0.51 -1.95 0.11 0.00 0.00 0.00 0.00 60.65 59.33 3kvy s ILE 280 Cb -0.22 -4.65 0.12 0.00 0.01 0.00 0.00 42.46 37.73 3kvy s ILE 280 CO 0.27 -1.30 0.91 -1.54 0.00 0.00 0.00 174.94 173.29 3kvy n SER 281 N 5.46 2.08 -4.76 3.58 3.41 -1.26 -5.00 113.62 117.13 3kvy n SER 281 Ca 0.19 -1.54 -0.39 0.00 -0.26 0.00 0.00 58.87 56.87 3kvy n SER 281 Cb 0.48 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3kvy n SER 281 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kvy s SER 282 N -0.96 5.58 0.34 4.04 0.01 -1.26 -4.94 113.70 116.51 3kvy s SER 282 Ca 0.15 2.83 -0.27 0.00 1.31 0.00 0.00 55.95 59.97 3kvy s SER 282 Cb 0.10 -2.64 -0.13 0.00 0.21 0.00 0.00 66.02 63.56 3kvy s SER 282 CO 0.15 -1.37 1.00 -2.65 0.41 0.00 0.00 173.24 170.78 3kvy n PRO 283 N -0.61 1.36 -0.30 12.44 -0.02 -1.26 -4.73 135.00 141.87 3kvy n PRO 283 Ca 0.08 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3kvy n PRO 283 Cb 0.43 -1.91 0.31 0.00 -0.02 0.00 0.00 33.50 32.31 3kvy n PRO 283 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kvy h HIS 284 N 1.82 0.58 -0.69 6.00 -0.00 -2.00 -1.17 115.15 119.69 3kvy h HIS 284 Ca -0.41 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 59.96 3kvy h HIS 284 Cb 1.34 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 28.60 3kvy h HIS 284 CO 0.46 -0.09 0.29 -0.44 -0.00 0.00 0.00 177.93 178.15 3kvy h ASP 285 N 0.35 0.94 0.13 3.26 3.32 -2.00 -0.94 116.42 121.49 3kvy h ASP 285 Ca 0.56 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3kvy h ASP 285 Cb 1.09 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3kvy h ASP 285 CO -0.56 0.85 -0.06 0.58 -1.72 0.00 0.00 179.24 178.33 3kvy h VAL 286 N 0.98 0.88 -0.97 -1.35 2.07 -1.58 -2.12 116.25 114.16 3kvy h VAL 286 Ca 0.23 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.78 3kvy h VAL 286 Cb 0.18 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3kvy h VAL 286 CO -0.02 0.01 0.63 -0.07 0.02 0.00 0.00 177.57 178.14 3kvy h LEU 287 N -0.19 1.01 -0.60 2.57 3.38 -1.22 0.21 115.31 120.47 3kvy h LEU 287 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3kvy h LEU 287 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kvy h LEU 287 CO 0.03 0.66 0.10 0.00 0.09 0.00 0.00 178.44 179.32 3kvy h ALA 288 N 1.46 0.80 -0.48 1.53 0.00 -1.03 -2.12 119.26 119.42 3kvy h ALA 288 Ca 0.41 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3kvy h ALA 288 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kvy h ALA 288 CO -0.15 0.56 -0.09 1.49 0.00 0.00 0.00 179.25 181.06 3kvy h GLU 289 N 0.91 0.91 -0.69 0.00 4.22 -0.66 -2.78 114.58 116.48 3kvy h GLU 289 Ca 0.18 -0.33 0.13 0.00 0.08 0.00 0.00 59.36 59.42 3kvy h GLU 289 Cb 0.43 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.52 3kvy h GLU 289 CO 0.01 0.98 0.21 1.88 -2.18 0.00 0.00 179.01 179.92 3kvy h TYR 290 N 0.76 0.35 0.00 0.92 0.99 -0.83 -2.01 116.97 117.15 3kvy h TYR 290 Ca 0.13 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3kvy h TYR 290 Cb 0.63 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 38.31 3kvy h TYR 290 CO 0.05 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.25 3kvy n GLN 291 N -5.08 0.18 0.11 4.88 6.02 -0.81 -1.71 117.38 120.97 3kvy n GLN 291 Ca 0.12 0.38 0.12 0.00 -0.01 0.00 0.00 57.00 57.62 3kvy n GLN 291 Cb 0.39 -1.82 0.19 0.00 1.02 0.00 0.00 30.24 30.02 3kvy n GLN 291 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3kvy h GLN 292 N 0.00 0.00 0.00 -1.09 4.20 -1.22 -3.39 115.11 113.62 3kvy h GLN 292 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kvy h GLN 292 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3kvy h GLN 292 CO 0.00 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.16 3kvy h ARG 293 N 0.00 -0.00 -0.59 1.46 3.08 -1.32 -0.69 114.38 116.32 3kvy h ARG 293 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3kvy h ARG 293 Cb 0.84 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 3kvy h ARG 293 CO 0.00 0.09 0.29 -1.35 -1.07 0.00 0.00 179.97 177.94 3kvy h PRO 294 N -0.10 0.82 -0.42 0.04 0.11 -1.75 -1.64 132.00 129.06 3kvy h PRO 294 Ca -0.00 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 66.06 3kvy h PRO 294 Cb 0.10 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 3kvy h PRO 294 CO 0.00 0.63 0.16 1.96 -0.21 0.00 0.00 178.00 180.53 3kvy h GLN 295 N 0.82 0.32 -0.38 1.05 4.20 -1.63 -1.01 115.11 118.48 3kvy h GLN 295 Ca 0.21 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 3kvy h GLN 295 Cb 0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3kvy h GLN 295 CO -0.03 0.21 0.04 0.00 -0.67 0.00 0.00 178.83 178.38 3kvy h ARG 296 N 0.33 0.64 0.05 1.46 3.08 -0.55 0.11 114.38 119.50 3kvy h ARG 296 Ca 0.19 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3kvy h ARG 296 Cb 0.17 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3kvy h ARG 296 CO -0.19 0.71 -0.12 1.25 -1.07 0.00 0.00 179.97 180.55 3kvy h LEU 297 N 0.47 -0.34 -1.10 3.04 6.46 -1.18 -0.40 115.31 122.27 3kvy h LEU 297 Ca 0.11 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 3kvy h LEU 297 Cb 0.40 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 3kvy h LEU 297 CO 0.01 -0.18 -0.00 0.58 -0.62 0.00 0.00 178.44 178.23 3kvy h VAL 298 N -0.23 1.22 -0.65 1.05 2.07 -1.10 -1.42 116.25 117.19 3kvy h VAL 298 Ca 0.03 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.74 3kvy h VAL 298 Cb 0.26 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3kvy h VAL 298 CO -0.09 0.31 0.33 1.23 0.02 0.00 0.00 177.57 179.37 3kvy h GLY 299 N 0.91 0.95 0.82 2.17 0.00 -0.35 -0.88 103.07 106.68 3kvy h GLY 299 Ca 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.25 3kvy h GLY 299 CO 0.01 0.09 -0.08 1.46 0.00 0.00 0.00 176.54 178.03 3kvy h GLN 300 N 0.59 -0.14 -0.39 4.80 1.08 -0.09 -1.95 115.11 119.02 3kvy h GLN 300 Ca 0.31 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.59 3kvy h GLN 300 Cb 0.26 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.66 3kvy h GLN 300 CO -0.22 -0.09 -0.06 0.35 -0.95 0.00 0.00 178.83 177.85 3kvy h PHE 301 N -0.15 -0.13 -0.48 2.96 3.04 -0.83 -1.68 116.94 119.67 3kvy h PHE 301 Ca 0.03 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.96 3kvy h PHE 301 Cb 0.18 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.79 3kvy h PHE 301 CO -0.14 -0.13 0.12 0.82 -2.02 0.00 0.00 178.31 176.96 3kvy h ILE 302 N 0.04 1.24 -0.55 1.41 2.04 -1.08 -1.85 117.51 118.76 3kvy h ILE 302 Ca 0.19 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.29 3kvy h ILE 302 Cb 0.28 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 3kvy h ILE 302 CO -0.37 0.30 0.23 0.50 0.00 0.00 0.00 178.15 178.81 3kvy h LYS 303 N 0.66 0.42 -0.36 2.37 3.64 -0.95 -1.67 116.57 120.68 3kvy h LYS 303 Ca 0.15 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 3kvy h LYS 303 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3kvy h LYS 303 CO 0.00 0.28 -0.07 0.87 -2.27 0.00 0.00 179.45 178.26 3kvy h LYS 304 N 0.44 0.69 -0.71 1.90 6.56 -1.11 -1.22 116.57 123.12 3kvy h LYS 304 Ca 0.26 -0.26 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 3kvy h LYS 304 Cb 0.26 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.83 3kvy h LYS 304 CO -0.24 0.84 0.47 0.00 -2.06 0.00 0.00 179.45 178.46 3kvy h ARG 305 N 0.49 0.81 0.00 3.15 2.47 -1.02 -1.87 114.38 118.41 3kvy h ARG 305 Ca 0.09 -0.05 -0.15 0.00 -1.26 0.00 0.00 59.98 58.61 3kvy h ARG 305 Cb 0.58 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 3kvy h ARG 305 CO 0.03 0.53 -0.72 -0.07 0.56 0.00 0.00 179.97 180.31 3kvy h LEU 306 N 0.83 0.00 -0.27 3.04 3.38 -1.11 -3.22 115.31 117.96 3kvy h LEU 306 Ca 0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3kvy h LEU 306 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kvy h LEU 306 CO -0.09 0.72 -0.22 0.24 0.09 0.00 0.00 178.44 179.18 3kvy h MET 307 N 0.00 0.63 0.00 1.13 2.86 -0.51 -3.51 114.93 115.53 3kvy h MET 307 Ca -0.01 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3kvy h MET 307 Cb 1.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.08 3kvy h MET 307 CO 0.09 0.91 0.00 1.04 1.06 0.00 0.00 176.91 180.01