#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgl n PHE 3 N 0.00 -1.62 0.36 1.08 7.35 -1.26 -1.80 117.46 121.56 3kgl n PHE 3 Ca 0.00 0.56 -0.07 0.00 -0.76 0.00 0.00 57.45 57.18 3kgl n PHE 3 Cb 0.00 -1.84 0.05 0.00 0.35 0.00 0.00 39.48 38.04 3kgl n PHE 3 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3kgl n PRO 4 N 0.97 1.34 -1.25 -7.13 -0.02 -1.26 -4.81 135.00 122.85 3kgl n PRO 4 Ca 0.11 -0.82 -0.18 0.00 -2.02 0.00 0.00 63.50 60.59 3kgl n PRO 4 Cb 0.42 -1.32 0.13 0.00 -0.02 0.00 0.00 33.50 32.71 3kgl n PRO 4 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kgl n ASN 5 N 0.08 4.28 0.06 2.55 4.13 -0.75 -4.85 115.26 120.76 3kgl n ASN 5 Ca 0.16 -3.77 0.21 0.00 1.68 0.00 0.00 54.58 52.87 3kgl n ASN 5 Cb 0.81 -0.67 0.65 0.00 -1.54 0.00 0.00 39.78 39.03 3kgl n ASN 5 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 3kgl h GLU 6 N 1.47 0.00 -0.41 3.52 4.11 -1.88 0.77 114.58 122.17 3kgl h GLU 6 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 3kgl h GLU 6 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 3kgl h GLU 6 CO 0.82 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.90 3kgl n GLN 8 N 1.12 2.17 -3.85 0.00 -0.06 0.27 -4.90 117.38 112.12 3kgl n GLN 8 Ca 0.17 -2.64 -0.35 0.00 -2.00 0.00 0.00 57.00 52.18 3kgl n GLN 8 Cb 0.51 -3.51 -0.09 0.00 -4.06 0.00 0.00 30.24 23.09 3kgl n GLN 8 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3kgl s LEU 9 N 6.91 3.99 -0.10 1.69 1.02 -1.26 -4.75 118.68 126.19 3kgl s LEU 9 Ca 0.61 0.13 0.10 0.00 0.02 0.00 0.00 54.13 55.00 3kgl s LEU 9 Cb 0.04 -2.03 -0.15 0.00 0.02 0.00 0.00 46.19 44.07 3kgl s LEU 9 CO 0.10 0.16 0.07 0.47 0.02 0.00 0.00 176.35 177.17 3kgl n ASP 10 N 3.65 2.18 -3.98 2.29 8.00 -1.26 -4.98 116.55 122.46 3kgl n ASP 10 Ca -0.16 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.16 3kgl n ASP 10 Cb 0.52 0.89 -0.15 0.00 -0.02 0.00 0.00 41.12 42.36 3kgl n ASP 10 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3kgl s GLN 11 N -2.36 0.59 -0.04 -1.24 0.74 -1.26 -4.45 119.66 111.64 3kgl s GLN 11 Ca -0.05 -0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.15 3kgl s GLN 11 Cb 0.04 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.55 3kgl s GLN 11 CO 0.47 0.13 -0.10 -0.51 -0.55 0.00 0.00 175.29 174.73 3kgl s LEU 12 N -0.06 2.99 0.04 3.68 1.43 0.34 -4.93 118.68 122.16 3kgl s LEU 12 Ca 0.01 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3kgl s LEU 12 Cb -0.04 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3kgl s LEU 12 CO -0.00 0.33 -0.20 0.20 0.23 0.00 0.00 176.35 176.91 3kgl s ASN 13 N -0.95 2.44 -0.06 2.29 -0.87 -1.26 -4.63 114.94 111.89 3kgl s ASN 13 Ca 0.13 -0.51 -0.30 0.00 -1.57 0.00 0.00 52.86 50.62 3kgl s ASN 13 Cb -0.11 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.25 40.86 3kgl s ASN 13 CO 0.03 0.16 1.69 0.00 -2.57 0.00 0.00 177.10 176.41 3kgl s ALA 14 N -0.78 3.56 0.27 0.60 0.00 -1.26 -4.78 121.76 119.37 3kgl s ALA 14 Ca 0.07 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 3kgl s ALA 14 Cb -0.09 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3kgl s ALA 14 CO 0.02 -1.50 0.48 -0.51 0.00 0.00 0.00 175.76 174.24 3kgl s LEU 15 N 4.29 4.13 0.39 0.00 1.43 0.26 -4.82 118.68 124.35 3kgl s LEU 15 Ca 0.75 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 3kgl s LEU 15 Cb -0.33 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 3kgl s LEU 15 CO 0.31 -0.16 0.19 -1.61 0.23 0.00 0.00 176.35 175.31 3kgl s GLU 16 N -3.73 1.89 0.70 1.70 2.02 -1.26 -1.28 118.70 118.74 3kgl s GLU 16 Ca 0.40 -2.14 -0.11 0.00 0.02 0.00 0.00 54.97 53.13 3kgl s GLU 16 Cb -0.10 -0.24 0.01 0.00 0.10 0.00 0.00 34.13 33.90 3kgl s GLU 16 CO 0.31 -0.57 1.06 -2.14 0.02 0.00 0.00 175.26 173.95 3kgl s PRO 17 N -3.59 2.88 -0.06 0.39 0.02 -1.26 -4.64 135.00 128.74 3kgl s PRO 17 Ca 0.29 1.01 0.03 0.00 0.02 0.00 0.00 61.00 62.35 3kgl s PRO 17 Cb 0.02 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3kgl s PRO 17 CO 0.20 -1.15 -0.02 0.43 -0.33 0.00 0.00 177.00 176.13 3kgl n SER 18 N -3.07 3.60 -4.13 2.53 7.64 -0.80 -4.95 113.62 114.44 3kgl n SER 18 Ca 0.08 -0.02 -0.26 0.00 1.01 0.00 0.00 58.87 59.68 3kgl n SER 18 Cb 0.53 0.25 -0.16 0.00 -1.01 0.00 0.00 64.21 63.83 3kgl n SER 18 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3kgl s HIS 19 N -2.13 1.73 -0.19 1.43 3.76 -0.85 -5.00 115.29 114.05 3kgl s HIS 19 Ca -0.06 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.35 3kgl s HIS 19 Cb 0.02 -1.17 0.04 0.00 1.11 0.00 0.00 32.58 32.58 3kgl s HIS 19 CO 0.18 -0.18 -0.11 0.08 -0.85 0.00 0.00 174.74 173.86 3kgl s VAL 20 N 0.08 1.62 -0.55 -0.90 1.01 -1.26 -0.35 120.40 120.06 3kgl s VAL 20 Ca -0.05 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 3kgl s VAL 20 Cb -0.12 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3kgl s VAL 20 CO 0.02 0.24 1.07 -0.76 0.00 0.00 0.00 175.10 175.67 3kgl s LEU 21 N 1.42 3.74 -0.18 3.92 1.43 -0.06 -4.99 118.68 123.96 3kgl s LEU 21 Ca 0.00 0.00 -0.23 0.00 -1.03 0.00 0.00 54.13 52.88 3kgl s LEU 21 Cb -0.15 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 3kgl s LEU 21 CO -0.09 -1.32 0.71 -0.54 0.23 0.00 0.00 176.35 175.34 3kgl s LYS 22 N 4.44 4.25 0.41 1.70 1.02 -1.26 -1.54 119.74 128.76 3kgl s LYS 22 Ca 0.39 0.79 0.03 0.00 0.02 0.00 0.00 55.97 57.20 3kgl s LYS 22 Cb -0.09 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 3kgl s LYS 22 CO 0.24 -0.27 0.07 0.00 -0.92 0.00 0.00 175.35 174.47 3kgl s ALA 23 N 1.99 3.11 0.21 5.17 0.00 -0.80 -4.82 121.76 126.62 3kgl s ALA 23 Ca 0.33 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 3kgl s ALA 23 Cb -0.16 0.50 0.17 0.00 0.00 0.00 0.00 23.12 23.63 3kgl s ALA 23 CO 0.11 -0.23 1.85 1.49 0.00 0.00 0.00 175.76 178.98 3kgl h GLU 24 N 1.75 1.09 -0.11 0.00 4.81 0.43 -3.24 114.58 119.31 3kgl h GLU 24 Ca -0.39 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 3kgl h GLU 24 Cb 1.27 -0.22 -0.17 0.00 0.63 0.00 0.00 28.75 30.26 3kgl h GLU 24 CO 0.66 0.78 -0.70 0.00 -0.73 0.00 0.00 179.01 179.02 3kgl n ALA 25 N -2.36 3.45 0.00 2.92 0.00 0.82 -4.81 120.51 120.54 3kgl n ALA 25 Ca 0.08 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.42 3kgl n ALA 25 Cb 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3kgl n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgl n GLY 26 N -0.64 -0.76 3.18 0.00 0.00 -1.22 -0.41 105.19 105.32 3kgl n GLY 26 Ca 0.18 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3kgl n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kgl s ARG 27 N -1.86 0.33 -0.20 1.61 1.70 0.53 -1.91 118.95 119.16 3kgl s ARG 27 Ca 0.00 0.45 -0.16 0.00 -0.47 0.00 0.00 55.73 55.55 3kgl s ARG 27 Cb 0.00 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 3kgl s ARG 27 CO 0.00 -0.06 0.42 0.42 -1.08 0.00 0.00 175.30 174.99 3kgl s ILE 28 N 0.37 5.18 -0.24 4.99 1.01 -0.59 -1.14 121.20 130.78 3kgl s ILE 28 Ca -0.02 0.74 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 3kgl s ILE 28 Cb -0.03 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3kgl s ILE 28 CO -0.02 0.23 -0.07 -1.61 0.00 0.00 0.00 174.94 173.48 3kgl s GLU 29 N 1.41 2.87 -0.11 2.79 2.02 0.15 -0.88 118.70 126.96 3kgl s GLU 29 Ca 0.20 -0.95 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 3kgl s GLU 29 Cb -0.15 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 3kgl s GLU 29 CO 0.08 -0.38 -0.10 0.54 0.02 0.00 0.00 175.26 175.43 3kgl s VAL 30 N 1.33 3.37 0.34 2.63 0.11 0.53 -0.42 120.40 128.28 3kgl s VAL 30 Ca 0.01 -0.57 -0.26 0.00 -2.93 0.00 0.00 61.98 58.23 3kgl s VAL 30 Cb -0.16 -2.41 -0.10 0.00 -1.53 0.00 0.00 36.38 32.18 3kgl s VAL 30 CO -0.05 0.54 0.95 0.26 -3.33 0.00 0.00 175.10 173.48 3kgl s TRP 31 N -0.08 3.64 -0.31 1.54 0.51 -0.55 -1.90 118.94 121.79 3kgl s TRP 31 Ca -0.01 1.76 -0.29 0.00 -2.12 0.00 0.00 56.10 55.45 3kgl s TRP 31 Cb -0.14 -2.93 -0.01 0.00 -0.81 0.00 0.00 33.47 29.59 3kgl s TRP 31 CO 0.03 0.14 1.50 0.34 -0.51 0.00 0.00 176.95 178.46 3kgl s ASP 32 N -1.66 6.37 0.00 2.95 2.15 -1.26 -4.59 116.67 120.62 3kgl s ASP 32 Ca 0.52 1.24 0.28 0.00 0.43 0.00 0.00 52.55 55.01 3kgl s ASP 32 Cb -0.18 -2.54 1.11 0.00 -0.30 0.00 0.00 42.92 41.01 3kgl s ASP 32 CO 0.23 -1.33 1.78 0.00 -0.17 0.00 0.00 175.17 175.67 3kgl n HIS 33 N 8.63 0.00 1.10 -5.34 1.44 -1.26 -3.16 115.22 116.63 3kgl n HIS 33 Ca 0.18 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.03 3kgl n HIS 33 Cb 0.47 -0.08 0.58 0.00 0.12 0.00 0.00 29.99 31.07 3kgl n HIS 33 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3kgl n HIS 34 N -0.47 0.00 -1.68 -1.40 8.25 -1.26 -2.85 115.22 115.81 3kgl n HIS 34 Ca 0.16 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.17 3kgl n HIS 34 Cb 0.31 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 3kgl n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kgl n ALA 35 N -1.42 1.53 -0.34 -1.41 0.00 -1.19 -4.72 120.51 112.96 3kgl n ALA 35 Ca 0.09 0.43 0.21 0.00 0.00 0.00 0.00 53.44 54.16 3kgl n ALA 35 Cb 0.32 -2.39 0.44 0.00 0.00 0.00 0.00 19.45 17.82 3kgl n ALA 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kgl h PRO 36 N 6.29 0.44 -0.07 0.00 0.11 -1.93 0.19 132.00 137.04 3kgl h PRO 36 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 3kgl h PRO 36 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3kgl h PRO 36 CO 0.90 0.29 -0.40 -0.56 -0.21 0.00 0.00 178.00 178.02 3kgl h GLN 37 N 0.45 0.14 0.14 1.05 3.07 -1.88 0.16 115.11 118.24 3kgl h GLN 37 Ca 0.68 -0.06 -0.20 0.00 0.09 0.00 0.00 58.65 59.15 3kgl h GLN 37 Cb 1.47 -0.00 0.02 0.00 0.08 0.00 0.00 27.48 29.04 3kgl h GLN 37 CO -0.50 0.52 -0.93 -0.07 0.09 0.00 0.00 178.83 177.94 3kgl h LEU 38 N 0.12 0.46 -2.00 0.06 3.38 -1.44 -2.81 115.31 113.08 3kgl h LEU 38 Ca 0.01 -0.94 0.27 0.00 0.09 0.00 0.00 57.88 57.32 3kgl h LEU 38 Cb 0.76 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3kgl h LEU 38 CO 0.06 1.44 0.68 -0.09 0.09 0.00 0.00 178.44 180.62 3kgl h ARG 39 N -0.35 0.00 0.01 1.13 2.43 -0.45 0.14 114.38 117.29 3kgl h ARG 39 Ca -0.17 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.76 3kgl h ARG 39 Cb 1.68 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.19 3kgl h ARG 39 CO 0.14 0.00 -1.20 0.00 -1.51 0.00 0.00 179.97 177.40 3kgl h SER 41 N 0.01 0.49 0.00 0.00 0.02 -0.50 -3.48 113.55 110.09 3kgl h SER 41 Ca -0.09 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3kgl h SER 41 Cb 1.85 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.24 3kgl h SER 41 CO 0.13 1.22 0.00 0.61 -1.14 0.00 0.00 176.83 177.64 3kgl n GLY 42 N 1.01 1.06 3.08 -3.77 0.00 -0.54 -4.82 105.19 101.20 3kgl n GLY 42 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3kgl n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kgl s VAL 43 N -2.00 0.49 0.40 1.61 -7.23 -1.24 0.63 120.40 113.06 3kgl s VAL 43 Ca 0.00 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 3kgl s VAL 43 Cb 0.00 -0.90 0.06 0.00 0.56 0.00 0.00 36.38 36.10 3kgl s VAL 43 CO 0.00 -0.57 0.48 -0.24 -0.31 0.00 0.00 175.10 174.45 3kgl n SER 44 N 1.00 1.72 -3.76 4.85 2.88 -0.70 -4.69 113.62 114.92 3kgl n SER 44 Ca -0.20 -2.16 -0.13 0.00 -1.33 0.00 0.00 58.87 55.06 3kgl n SER 44 Cb 0.57 -0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 63.71 3kgl n SER 44 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3kgl s PHE 45 N -1.65 -0.33 -0.02 0.66 5.36 -1.26 -2.87 117.98 117.88 3kgl s PHE 45 Ca 0.36 0.77 -0.05 0.00 -0.96 0.00 0.00 56.93 57.05 3kgl s PHE 45 Cb -0.03 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 3kgl s PHE 45 CO 0.23 -0.22 0.11 0.54 -1.46 0.00 0.00 175.22 174.42 3kgl s VAL 46 N -0.14 0.05 -0.10 3.12 0.11 -0.02 -1.48 120.40 121.95 3kgl s VAL 46 Ca -0.03 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.61 3kgl s VAL 46 Cb -0.03 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 3kgl s VAL 46 CO 0.01 -0.23 -0.12 -0.60 -3.33 0.00 0.00 175.10 170.83 3kgl s ARG 47 N -0.78 1.89 -0.17 1.54 3.52 0.44 -0.41 118.95 124.97 3kgl s ARG 47 Ca -0.09 -0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 54.93 3kgl s ARG 47 Cb -0.05 -1.67 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 3kgl s ARG 47 CO 0.01 -0.10 0.32 0.71 -0.81 0.00 0.00 175.30 175.43 3kgl s TYR 48 N 1.09 3.43 -0.35 5.12 2.02 0.11 0.35 117.35 129.12 3kgl s TYR 48 Ca -0.06 0.60 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 3kgl s TYR 48 Cb -0.14 -2.40 0.07 0.00 -0.40 0.00 0.00 41.96 39.09 3kgl s TYR 48 CO -0.02 0.16 0.11 0.42 -1.57 0.00 0.00 175.55 174.66 3kgl s ILE 49 N 0.72 3.39 -0.17 2.71 1.01 -0.29 -1.45 121.20 127.11 3kgl s ILE 49 Ca 0.17 -1.54 -0.07 0.00 0.00 0.00 0.00 60.65 59.21 3kgl s ILE 49 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3kgl s ILE 49 CO 0.05 -0.35 0.07 -0.63 0.00 0.00 0.00 174.94 174.09 3kgl s ILE 50 N 1.27 4.87 0.17 2.92 1.01 -0.25 -0.34 121.20 130.84 3kgl s ILE 50 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 3kgl s ILE 50 Cb -0.21 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.12 3kgl s ILE 50 CO -0.01 0.48 0.23 -0.62 0.00 0.00 0.00 174.94 175.02 3kgl n GLU 51 N 3.30 0.38 -2.23 2.79 -0.58 0.45 -0.91 120.64 123.84 3kgl n GLU 51 Ca -0.17 -0.58 -0.42 0.00 -0.42 0.00 0.00 57.16 55.57 3kgl n GLU 51 Cb 0.52 -0.16 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 3kgl n GLU 51 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3kgl s SER 52 N -1.91 6.87 -1.18 1.62 0.15 -1.26 -2.08 113.70 115.91 3kgl s SER 52 Ca 0.15 2.18 -0.02 0.00 0.70 0.00 0.00 55.95 58.96 3kgl s SER 52 Cb -0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3kgl s SER 52 CO 0.10 -0.66 0.27 0.29 1.20 0.00 0.00 173.24 174.44 3kgl n LYS 53 N 4.64 -2.62 -3.91 5.44 4.01 0.04 -4.90 118.16 120.87 3kgl n LYS 53 Ca 0.12 0.68 -0.37 0.00 -0.51 0.00 0.00 58.31 58.23 3kgl n LYS 53 Cb 0.43 -5.01 -0.06 0.00 -0.51 0.00 0.00 35.03 29.89 3kgl n LYS 53 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3kgl s GLY 54 N -2.61 2.14 -0.21 0.72 0.00 -0.88 -1.05 107.32 105.43 3kgl s GLY 54 Ca 0.13 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3kgl s GLY 54 CO 0.16 -0.38 -0.12 -2.27 0.00 0.00 0.00 173.10 170.49 3kgl s LEU 55 N -0.98 2.49 -0.39 0.66 2.96 0.59 -0.96 118.68 123.05 3kgl s LEU 55 Ca 0.15 -0.95 -0.29 0.00 -0.22 0.00 0.00 54.13 52.82 3kgl s LEU 55 Cb -0.12 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.24 3kgl s LEU 55 CO 0.04 -0.13 1.28 -0.47 -1.32 0.00 0.00 176.35 175.75 3kgl s TYR 56 N 1.31 2.64 0.52 5.38 5.04 0.16 -1.70 117.35 130.70 3kgl s TYR 56 Ca -0.02 0.78 -0.21 0.00 -2.44 0.00 0.00 57.07 55.18 3kgl s TYR 56 Cb -0.16 -4.19 -0.06 0.00 0.35 0.00 0.00 41.96 37.90 3kgl s TYR 56 CO -0.08 -1.62 1.21 -0.51 -1.34 0.00 0.00 175.55 173.20 3kgl s LEU 57 N 4.75 3.87 -0.03 6.97 1.43 0.10 -2.06 118.68 133.71 3kgl s LEU 57 Ca 0.55 2.40 -0.33 0.00 -1.03 0.00 0.00 54.13 55.72 3kgl s LEU 57 Cb -0.12 -4.37 -0.11 0.00 0.03 0.00 0.00 46.19 41.61 3kgl s LEU 57 CO 0.29 -1.23 1.89 -2.65 0.23 0.00 0.00 176.35 174.88 3kgl n PRO 58 N -0.94 2.42 -4.41 1.29 -0.02 -1.26 -4.78 135.00 127.29 3kgl n PRO 58 Ca 0.10 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.25 3kgl n PRO 58 Cb 0.48 -2.76 -0.09 0.00 -0.02 0.00 0.00 33.50 31.11 3kgl n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kgl s SER 59 N 3.94 2.06 0.08 2.55 1.04 -1.12 -1.49 113.70 120.76 3kgl s SER 59 Ca 0.90 -1.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.56 3kgl s SER 59 Cb -0.61 0.30 0.06 0.00 0.10 0.00 0.00 66.02 65.88 3kgl s SER 59 CO 0.47 -0.83 0.57 0.72 0.98 0.00 0.00 173.24 175.15 3kgl s PHE 60 N -3.44 -0.49 0.38 5.02 -0.12 -0.74 -1.24 117.98 117.36 3kgl s PHE 60 Ca 0.32 0.47 0.06 0.00 -0.05 0.00 0.00 56.93 57.74 3kgl s PHE 60 Cb 0.05 0.43 -0.07 0.00 -0.63 0.00 0.00 43.02 42.80 3kgl s PHE 60 CO 0.16 -0.72 0.02 -0.06 -0.05 0.00 0.00 175.22 174.56 3kgl s PHE 61 N -2.86 2.34 -2.29 3.49 0.08 -1.26 -0.24 117.98 117.24 3kgl s PHE 61 Ca -0.03 -0.75 0.29 0.00 0.12 0.00 0.00 56.93 56.56 3kgl s PHE 61 Cb -0.00 -1.61 1.17 0.00 -0.57 0.00 0.00 43.02 42.01 3kgl s PHE 61 CO -0.05 0.32 1.81 -1.13 -0.10 0.00 0.00 175.22 176.08 3kgl n SER 62 N -0.87 1.15 -4.20 1.36 3.41 -1.24 -0.70 113.62 112.52 3kgl n SER 62 Ca -0.04 -1.30 -0.19 0.00 -0.26 0.00 0.00 58.87 57.08 3kgl n SER 62 Cb 0.67 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.51 3kgl n SER 62 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kgl s THR 63 N -2.08 1.25 1.08 6.66 -4.23 -1.26 -3.77 115.64 113.29 3kgl s THR 63 Ca 0.38 -1.41 -0.16 0.00 -1.18 0.00 0.00 61.69 59.32 3kgl s THR 63 Cb 0.21 -1.23 0.13 0.00 1.34 0.00 0.00 72.50 72.95 3kgl s THR 63 CO 0.37 -0.23 0.37 0.00 -0.54 0.00 0.00 174.62 174.59 3kgl n ALA 64 N 1.12 -3.34 -3.53 3.99 0.00 -1.26 -3.98 120.51 113.51 3kgl n ALA 64 Ca -0.20 -1.07 -0.15 0.00 0.00 0.00 0.00 53.44 52.03 3kgl n ALA 64 Cb 0.54 -1.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 3kgl n ALA 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kgl s LYS 65 N -3.76 0.81 -0.08 0.00 2.20 -0.85 -2.93 119.74 115.14 3kgl s LYS 65 Ca 0.59 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.98 3kgl s LYS 65 Cb -0.17 0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 3kgl s LYS 65 CO 0.66 -0.14 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.77 3kgl s LEU 66 N -0.02 2.03 0.15 5.43 1.43 -1.00 -1.83 118.68 124.87 3kgl s LEU 66 Ca -0.03 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 3kgl s LEU 66 Cb -0.04 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 3kgl s LEU 66 CO 0.03 0.17 -0.04 -0.44 0.23 0.00 0.00 176.35 176.29 3kgl s SER 67 N 0.24 4.61 -0.03 2.29 0.01 0.79 -1.84 113.70 119.77 3kgl s SER 67 Ca -0.14 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.71 3kgl s SER 67 Cb -0.16 -0.93 0.02 0.00 0.21 0.00 0.00 66.02 65.15 3kgl s SER 67 CO 0.07 0.12 -0.02 0.12 0.41 0.00 0.00 173.24 173.93 3kgl s PHE 68 N -1.59 0.46 -0.20 2.43 5.36 0.21 0.38 117.98 125.03 3kgl s PHE 68 Ca 0.26 -0.07 -0.22 0.00 -0.96 0.00 0.00 56.93 55.93 3kgl s PHE 68 Cb -0.10 -0.46 -0.02 0.00 -0.34 0.00 0.00 43.02 42.10 3kgl s PHE 68 CO 0.17 -0.13 0.69 0.14 -1.46 0.00 0.00 175.22 174.63 3kgl s VAL 69 N 0.82 4.98 -0.24 3.12 -7.23 -0.76 -0.74 120.40 120.33 3kgl s VAL 69 Ca -0.09 1.30 0.04 0.00 -1.81 0.00 0.00 61.98 61.42 3kgl s VAL 69 Cb -0.12 -4.00 -0.19 0.00 0.56 0.00 0.00 36.38 32.64 3kgl s VAL 69 CO -0.01 0.07 -0.15 0.00 -0.31 0.00 0.00 175.10 174.70 3kgl n ALA 70 N 5.21 1.43 -2.39 1.32 0.00 0.16 -2.06 120.51 124.18 3kgl n ALA 70 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 53.44 52.14 3kgl n ALA 70 Cb 0.49 -0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 3kgl n ALA 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kgl s LYS 71 N -2.52 1.17 1.55 0.00 -0.14 -1.12 -4.86 119.74 113.81 3kgl s LYS 71 Ca -0.30 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 52.89 3kgl s LYS 71 Cb 0.08 -0.98 0.00 0.00 -1.68 0.00 0.00 37.83 35.25 3kgl s LYS 71 CO 0.64 0.17 0.00 0.41 -0.76 0.00 0.00 175.35 175.82 3kgl n GLY 72 N 0.06 -1.41 3.38 -3.33 0.00 -1.21 -1.73 105.19 100.95 3kgl n GLY 72 Ca -0.12 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 3kgl n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgl s GLU 73 N -0.10 1.17 0.00 1.61 -1.05 -1.26 -2.92 118.70 116.15 3kgl s GLU 73 Ca 0.00 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 3kgl s GLU 73 Cb 0.00 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 3kgl s GLU 73 CO 0.00 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.15 3kgl n GLY 74 N -0.27 1.07 3.34 -3.83 0.00 -0.58 -4.39 105.19 100.54 3kgl n GLY 74 Ca -0.14 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3kgl n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgl s LEU 75 N 0.00 2.19 -0.06 0.99 1.43 0.14 -0.40 118.68 122.98 3kgl s LEU 75 Ca 0.00 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3kgl s LEU 75 Cb 0.00 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3kgl s LEU 75 CO 0.00 0.32 -0.15 0.00 0.23 0.00 0.00 176.35 176.76 3kgl s MET 76 N -0.63 1.80 -0.25 1.70 0.23 -0.46 0.50 119.30 122.19 3kgl s MET 76 Ca 0.10 -0.52 -0.05 0.00 -1.03 0.00 0.00 55.69 54.19 3kgl s MET 76 Cb -0.10 -1.50 -0.00 0.00 -1.53 0.00 0.00 34.83 31.69 3kgl s MET 76 CO -0.01 0.13 0.01 0.20 -2.03 0.00 0.00 175.02 173.32 3kgl s GLY 77 N 0.35 1.69 0.16 3.16 0.00 -0.59 -1.02 107.32 111.06 3kgl s GLY 77 Ca -0.10 -1.29 -0.10 0.00 0.00 0.00 0.00 44.72 43.23 3kgl s GLY 77 CO 0.03 0.52 0.48 -1.60 0.00 0.00 0.00 173.10 172.54 3kgl s ARG 78 N 1.48 3.79 -0.17 2.90 3.52 -1.21 -2.06 118.95 127.21 3kgl s ARG 78 Ca 0.04 0.23 -0.04 0.00 -0.13 0.00 0.00 55.73 55.83 3kgl s ARG 78 Cb -0.16 -2.83 0.08 0.00 -1.56 0.00 0.00 34.95 30.48 3kgl s ARG 78 CO -0.01 0.44 0.24 0.08 -0.81 0.00 0.00 175.30 175.24 3kgl s VAL 79 N -1.61 -0.37 0.44 7.11 1.01 -1.05 -4.35 120.40 121.59 3kgl s VAL 79 Ca 0.41 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.52 3kgl s VAL 79 Cb -0.13 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 3kgl s VAL 79 CO 0.21 -0.05 0.09 0.68 0.00 0.00 0.00 175.10 176.03 3kgl s VAL 80 N 2.37 1.91 0.20 2.92 -7.23 -1.26 -3.40 120.40 115.91 3kgl s VAL 80 Ca 0.05 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 3kgl s VAL 80 Cb -0.14 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 33.94 3kgl s VAL 80 CO -0.10 0.00 1.25 -2.16 -0.31 0.00 0.00 175.10 173.77 3kgl s PRO 81 N -3.84 4.44 -0.85 4.82 0.04 -1.26 -4.28 135.00 134.07 3kgl s PRO 81 Ca 0.31 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 3kgl s PRO 81 Cb 0.06 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 3kgl s PRO 81 CO 0.17 -0.15 0.73 0.41 0.04 0.00 0.00 177.00 178.19 3kgl n GLY 82 N 2.13 -1.21 0.00 0.56 0.00 -1.26 -5.04 105.19 100.37 3kgl n GLY 82 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3kgl n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgl n ALA 84 N -3.00 5.66 -0.84 0.00 0.00 -1.26 -5.05 120.51 116.02 3kgl n ALA 84 Ca 0.00 -2.92 -0.29 0.00 0.00 0.00 0.00 53.44 50.23 3kgl n ALA 84 Cb 0.00 -3.27 0.19 0.00 0.00 0.00 0.00 19.45 16.37 3kgl n ALA 84 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3kgl s GLU 85 N 3.13 0.21 0.00 0.00 8.01 -1.26 -4.32 118.70 124.47 3kgl s GLU 85 Ca 0.53 0.92 0.00 0.00 0.01 0.00 0.00 54.97 56.43 3kgl s GLU 85 Cb 0.14 -1.68 0.00 0.00 -4.31 0.00 0.00 34.13 28.28 3kgl s GLU 85 CO -0.03 -2.99 0.00 0.54 0.01 0.00 0.00 175.26 172.79 3kgl n ARG 140 N -4.41 0.00 -3.28 1.61 3.00 -1.26 -3.65 116.66 108.68 3kgl n ARG 140 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.52 3kgl n ARG 140 Cb 0.54 -0.05 -0.06 0.00 0.00 0.00 0.00 32.46 32.90 3kgl n ARG 140 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3kgl s ASP 141 N -0.31 6.70 -0.62 0.55 2.15 -1.26 -5.04 116.67 118.84 3kgl s ASP 141 Ca 0.00 0.83 -0.03 0.00 0.43 0.00 0.00 52.55 53.79 3kgl s ASP 141 Cb 0.00 -2.30 0.16 0.00 -0.30 0.00 0.00 42.92 40.48 3kgl s ASP 141 CO 0.00 -0.04 0.43 -0.04 -0.17 0.00 0.00 175.17 175.36 3kgl s MET 142 N 0.79 2.55 0.49 4.34 -1.94 -1.26 -5.07 119.30 119.19 3kgl s MET 142 Ca 0.27 -2.51 0.02 0.00 -1.71 0.00 0.00 55.69 51.76 3kgl s MET 142 Cb -0.15 -3.73 0.02 0.00 2.01 0.00 0.00 34.83 32.98 3kgl s MET 142 CO 0.11 -1.17 0.16 -2.39 -0.01 0.00 0.00 175.02 171.71 3kgl n HIS 143 N 3.51 0.38 -1.22 -0.03 1.44 -1.24 -4.83 115.22 113.24 3kgl n HIS 143 Ca 0.08 -2.27 -0.15 0.00 -2.01 0.00 0.00 57.72 53.37 3kgl n HIS 143 Cb 0.38 -0.36 0.11 0.00 0.12 0.00 0.00 29.99 30.25 3kgl n HIS 143 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3kgl n GLN 144 N -1.39 -1.20 -2.15 -1.40 6.02 -1.26 -4.48 117.38 111.52 3kgl n GLN 144 Ca -0.12 -0.99 -0.42 0.00 -0.01 0.00 0.00 57.00 55.46 3kgl n GLN 144 Cb 0.59 -0.75 -0.03 0.00 1.02 0.00 0.00 30.24 31.07 3kgl n GLN 144 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3kgl s LYS 145 N -4.41 4.34 -0.09 -1.09 -2.85 -1.26 -4.98 119.74 109.40 3kgl s LYS 145 Ca 0.38 2.13 0.04 0.00 -1.00 0.00 0.00 55.97 57.51 3kgl s LYS 145 Cb -0.02 -3.19 -0.01 0.00 -2.06 0.00 0.00 37.83 32.55 3kgl s LYS 145 CO 0.27 -0.35 -0.20 0.08 0.10 0.00 0.00 175.35 175.25 3kgl s VAL 146 N 0.35 2.43 0.11 1.79 1.01 -1.26 -3.32 120.40 121.51 3kgl s VAL 146 Ca 0.60 -0.91 0.10 0.00 0.00 0.00 0.00 61.98 61.77 3kgl s VAL 146 Cb -0.38 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3kgl s VAL 146 CO 0.37 0.56 -0.26 -1.61 0.00 0.00 0.00 175.10 174.16 3kgl s GLU 147 N 0.02 1.53 0.06 2.72 2.02 -0.18 -4.99 118.70 119.87 3kgl s GLU 147 Ca -0.07 -1.28 -0.29 0.00 0.02 0.00 0.00 54.97 53.35 3kgl s GLU 147 Cb -0.15 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 3kgl s GLU 147 CO 0.05 0.47 0.92 -1.01 0.02 0.00 0.00 175.26 175.71 3kgl s HIS 148 N -1.02 3.75 0.05 1.61 3.76 -1.26 -1.36 115.29 120.82 3kgl s HIS 148 Ca 0.14 1.69 0.09 0.00 -0.15 0.00 0.00 55.06 56.83 3kgl s HIS 148 Cb -0.10 -3.02 -0.03 0.00 1.11 0.00 0.00 32.58 30.54 3kgl s HIS 148 CO 0.06 0.16 -0.26 0.96 -0.85 0.00 0.00 174.74 174.80 3kgl s ILE 149 N 0.29 2.09 0.17 0.60 -4.36 0.47 -4.90 121.20 115.56 3kgl s ILE 149 Ca 0.46 -1.38 -0.03 0.00 -0.26 0.00 0.00 60.65 59.44 3kgl s ILE 149 Cb -0.22 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.67 3kgl s ILE 149 CO 0.28 0.34 0.16 0.00 0.24 0.00 0.00 174.94 175.96 3kgl s ARG 150 N -1.25 1.12 -0.11 0.37 1.04 -1.26 -1.53 118.95 117.33 3kgl s ARG 150 Ca 0.11 -1.44 -0.35 0.00 -1.04 0.00 0.00 55.73 53.01 3kgl s ARG 150 Cb -0.10 0.30 -0.13 0.00 -2.04 0.00 0.00 34.95 32.98 3kgl s ARG 150 CO 0.02 -0.37 1.83 2.41 -0.04 0.00 0.00 175.30 179.16 3kgl n THR 151 N -0.20 0.49 0.00 4.99 -1.04 -1.15 -1.09 114.28 116.28 3kgl n THR 151 Ca -0.03 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3kgl n THR 151 Cb 0.64 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 3kgl n THR 151 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kgl n GLY 152 N 4.29 2.34 3.72 3.41 0.00 -0.88 -4.82 105.19 113.26 3kgl n GLY 152 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3kgl n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgl s ASP 153 N -1.85 6.76 -0.10 1.61 1.01 -0.25 -0.71 116.67 123.14 3kgl s ASP 153 Ca 0.00 2.41 -0.03 0.00 0.71 0.00 0.00 52.55 55.65 3kgl s ASP 153 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 3kgl s ASP 153 CO 0.00 -0.69 0.00 -0.89 0.21 0.00 0.00 175.17 173.80 3kgl s THR 154 N 1.01 4.29 -0.16 -1.27 2.01 0.63 -1.84 115.64 120.32 3kgl s THR 154 Ca 0.65 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 62.40 3kgl s THR 154 Cb -0.39 -2.82 0.04 0.00 0.01 0.00 0.00 72.50 69.34 3kgl s THR 154 CO 0.31 0.58 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.13 3kgl s ILE 155 N -0.60 1.15 0.04 1.82 1.01 0.16 -1.90 121.20 122.87 3kgl s ILE 155 Ca 0.10 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 3kgl s ILE 155 Cb -0.12 -1.28 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 3kgl s ILE 155 CO 0.02 0.19 0.43 0.00 0.00 0.00 0.00 174.94 175.58 3kgl s ALA 156 N 1.63 3.69 -0.04 9.38 0.00 -0.96 -0.15 121.76 135.30 3kgl s ALA 156 Ca 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 3kgl s ALA 156 Cb -0.15 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.62 3kgl s ALA 156 CO -0.08 0.50 0.09 0.99 0.00 0.00 0.00 175.76 177.26 3kgl s THR 157 N -1.19 -0.05 0.87 0.00 2.01 -0.76 -4.92 115.64 111.60 3kgl s THR 157 Ca 0.27 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 3kgl s THR 157 Cb -0.16 -0.16 0.11 0.00 0.01 0.00 0.00 72.50 72.30 3kgl s THR 157 CO 0.15 0.07 1.10 -1.00 -0.69 0.00 0.00 174.62 174.25 3kgl s HIS 158 N 1.04 2.47 0.37 4.92 3.76 -1.26 -2.00 115.29 124.59 3kgl s HIS 158 Ca -0.08 1.20 -0.27 0.00 -0.15 0.00 0.00 55.06 55.76 3kgl s HIS 158 Cb -0.11 -3.16 -0.09 0.00 1.11 0.00 0.00 32.58 30.32 3kgl s HIS 158 CO -0.04 -2.23 1.24 -2.14 -0.85 0.00 0.00 174.74 170.72 3kgl s PRO 159 N -5.01 4.16 0.00 8.40 0.02 -1.26 -3.43 135.00 137.88 3kgl s PRO 159 Ca 0.63 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3kgl s PRO 159 Cb -0.17 -2.85 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3kgl s PRO 159 CO 0.56 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 177.35 3kgl n GLY 160 N 0.74 1.24 3.68 0.52 0.00 0.12 -4.97 105.19 106.53 3kgl n GLY 160 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3kgl n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgl s VAL 161 N -2.99 4.98 0.40 1.61 1.01 -1.22 -4.87 120.40 119.32 3kgl s VAL 161 Ca 0.00 1.38 -0.23 0.00 0.00 0.00 0.00 61.98 63.13 3kgl s VAL 161 Cb 0.00 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3kgl s VAL 161 CO 0.00 0.12 1.00 0.00 0.00 0.00 0.00 175.10 176.22 3kgl s ALA 162 N 1.71 3.07 -0.17 5.51 0.00 -1.22 -4.38 121.76 126.27 3kgl s ALA 162 Ca 0.34 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 3kgl s ALA 162 Cb -0.16 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3kgl s ALA 162 CO 0.13 -0.07 0.44 -1.14 0.00 0.00 0.00 175.76 175.12 3kgl s GLN 163 N -2.66 0.47 0.20 0.00 0.74 -0.37 -2.52 119.66 115.52 3kgl s GLN 163 Ca 0.59 0.73 0.10 0.00 0.05 0.00 0.00 55.36 56.82 3kgl s GLN 163 Cb -0.17 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.02 3kgl s GLN 163 CO 0.22 -0.11 -0.19 1.67 -0.55 0.00 0.00 175.29 176.33 3kgl s TRP 164 N 0.82 2.01 0.08 1.67 1.48 -0.88 -2.78 118.94 121.34 3kgl s TRP 164 Ca -0.05 -0.43 0.06 0.00 -1.06 0.00 0.00 56.10 54.62 3kgl s TRP 164 Cb -0.06 -0.96 -0.03 0.00 -1.16 0.00 0.00 33.47 31.26 3kgl s TRP 164 CO -0.06 0.45 -0.15 -0.06 -4.06 0.00 0.00 176.95 173.06 3kgl s PHE 165 N -2.16 1.33 -0.02 1.66 0.08 -0.88 -1.55 117.98 116.45 3kgl s PHE 165 Ca 0.20 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.81 3kgl s PHE 165 Cb -0.05 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.66 3kgl s PHE 165 CO 0.09 0.09 -0.05 -0.47 -0.10 0.00 0.00 175.22 174.78 3kgl s TYR 166 N -1.27 0.54 -0.30 0.36 5.04 0.18 0.35 117.35 122.26 3kgl s TYR 166 Ca -0.00 -0.11 -0.05 0.00 -2.44 0.00 0.00 57.07 54.47 3kgl s TYR 166 Cb -0.10 -0.42 0.03 0.00 0.35 0.00 0.00 41.96 41.82 3kgl s TYR 166 CO 0.03 -0.07 0.04 1.21 -1.34 0.00 0.00 175.55 175.42 3kgl s ASN 167 N 0.29 4.95 0.10 4.32 2.47 -0.13 0.28 114.94 127.21 3kgl s ASN 167 Ca -0.03 -0.93 0.12 0.00 0.42 0.00 0.00 52.86 52.44 3kgl s ASN 167 Cb -0.07 -1.80 -0.15 0.00 -1.45 0.00 0.00 41.25 37.78 3kgl s ASN 167 CO -0.00 -0.22 1.06 -2.24 -3.72 0.00 0.00 177.10 171.98 3kgl h ASP 168 N 8.14 0.00 -4.02 -4.21 3.04 -1.87 0.18 116.42 117.68 3kgl h ASP 168 Ca -0.28 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.00 3kgl h ASP 168 Cb 1.10 0.00 0.20 0.00 -1.04 0.00 0.00 39.33 39.60 3kgl h ASP 168 CO 0.59 0.82 0.12 0.61 -2.04 0.00 0.00 179.24 179.33 3kgl n GLY 169 N 1.39 -0.78 0.61 7.15 0.00 -1.26 -4.47 105.19 107.83 3kgl n GLY 169 Ca -0.06 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.29 3kgl n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kgl n ASN 170 N -4.18 1.90 -4.37 1.61 4.13 -1.26 -4.19 115.26 108.90 3kgl n ASN 170 Ca 0.10 -1.65 -0.24 0.00 1.68 0.00 0.00 54.58 54.46 3kgl n ASN 170 Cb 0.53 -0.04 -0.11 0.00 -1.54 0.00 0.00 39.78 38.61 3kgl n ASN 170 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kgl s GLN 171 N -1.93 1.37 0.30 3.52 -2.07 -1.26 -4.80 119.66 114.79 3kgl s GLN 171 Ca 0.35 -1.44 -0.29 0.00 -1.82 0.00 0.00 55.36 52.16 3kgl s GLN 171 Cb 0.20 -1.55 -0.10 0.00 -1.09 0.00 0.00 33.01 30.47 3kgl s GLN 171 CO 0.31 0.33 1.36 -2.14 -1.32 0.00 0.00 175.29 173.83 3kgl s PRO 172 N -2.69 4.32 -0.33 9.60 0.02 -1.26 -4.79 135.00 139.88 3kgl s PRO 172 Ca 0.17 2.24 -0.19 0.00 0.02 0.00 0.00 61.00 63.25 3kgl s PRO 172 Cb -0.07 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 3kgl s PRO 172 CO 0.08 -0.28 0.57 -1.17 -0.33 0.00 0.00 177.00 175.87 3kgl s LEU 173 N -1.23 4.23 -0.34 -5.54 2.96 -0.09 -3.29 118.68 115.38 3kgl s LEU 173 Ca 0.53 0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 54.60 3kgl s LEU 173 Cb -0.40 -2.70 0.06 0.00 0.50 0.00 0.00 46.19 43.64 3kgl s LEU 173 CO 0.49 -0.49 0.10 -0.69 -1.32 0.00 0.00 176.35 174.44 3kgl s VAL 174 N 2.52 3.41 -0.15 1.68 1.01 -0.71 -1.09 120.40 127.08 3kgl s VAL 174 Ca 0.22 -1.44 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 3kgl s VAL 174 Cb -0.15 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3kgl s VAL 174 CO 0.13 -0.28 0.01 -0.63 0.00 0.00 0.00 175.10 174.32 3kgl s ILE 175 N 1.29 4.31 -0.07 2.22 1.01 -0.53 0.39 121.20 129.83 3kgl s ILE 175 Ca -0.01 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3kgl s ILE 175 Cb -0.21 -2.89 -0.00 0.00 0.01 0.00 0.00 42.46 39.37 3kgl s ILE 175 CO -0.00 0.51 -0.21 0.54 0.00 0.00 0.00 174.94 175.77 3kgl s VAL 176 N 0.11 1.78 -0.02 2.92 0.11 0.08 0.08 120.40 125.46 3kgl s VAL 176 Ca 0.02 -0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 58.17 3kgl s VAL 176 Cb -0.13 -1.53 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 3kgl s VAL 176 CO 0.02 0.50 0.04 -0.44 -3.33 0.00 0.00 175.10 171.89 3kgl s SER 177 N 0.12 -0.02 -0.18 3.54 0.01 0.45 -0.61 113.70 117.00 3kgl s SER 177 Ca -0.09 0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 3kgl s SER 177 Cb -0.14 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3kgl s SER 177 CO 0.05 -0.03 0.07 0.54 0.41 0.00 0.00 173.24 174.27 3kgl s VAL 178 N 0.22 4.89 -0.21 3.43 0.11 -0.76 -0.84 120.40 127.24 3kgl s VAL 178 Ca -0.02 -0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 3kgl s VAL 178 Cb -0.03 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.59 3kgl s VAL 178 CO -0.01 0.47 0.09 -0.76 -3.33 0.00 0.00 175.10 171.57 3kgl s LEU 179 N 0.25 3.84 -0.74 2.54 1.43 -1.14 -2.37 118.68 122.49 3kgl s LEU 179 Ca 0.05 0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.95 3kgl s LEU 179 Cb -0.12 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.16 3kgl s LEU 179 CO 0.00 0.11 1.13 -0.62 0.23 0.00 0.00 176.35 177.20 3kgl s ASP 180 N 0.79 6.24 0.10 2.29 -1.08 -1.15 -1.71 116.67 122.14 3kgl s ASP 180 Ca 0.05 -0.93 -0.03 0.00 -0.52 0.00 0.00 52.55 51.12 3kgl s ASP 180 Cb -0.13 -2.48 -0.22 0.00 -1.46 0.00 0.00 42.92 38.63 3kgl s ASP 180 CO 0.02 -1.56 1.20 -0.07 0.52 0.00 0.00 175.17 175.29 3kgl h LEU 181 N 11.99 0.39 0.00 -1.34 4.07 -0.16 -3.37 115.31 126.90 3kgl h LEU 181 Ca -0.20 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.37 3kgl h LEU 181 Cb 1.05 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.67 3kgl h LEU 181 CO 1.23 1.27 -0.60 0.00 -1.08 0.00 0.00 178.44 179.26 3kgl n ALA 182 N -2.51 3.74 -1.38 1.53 0.00 -0.47 -4.75 120.51 116.67 3kgl n ALA 182 Ca -0.07 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 3kgl n ALA 182 Cb 0.96 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 19.43 3kgl n ALA 182 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kgl s SER 183 N -3.05 4.63 0.58 0.00 0.15 -1.26 -4.92 113.70 109.84 3kgl s SER 183 Ca 0.10 2.09 0.33 0.00 0.70 0.00 0.00 55.95 59.16 3kgl s SER 183 Cb 0.17 -2.56 1.81 0.00 -1.71 0.00 0.00 66.02 63.74 3kgl s SER 183 CO 0.73 -1.96 2.20 1.12 1.20 0.00 0.00 173.24 176.54 3kgl h HIS 184 N -0.34 0.00 -0.58 3.44 2.07 -1.94 -2.71 115.15 115.09 3kgl h HIS 184 Ca -0.46 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 56.97 3kgl h HIS 184 Cb 1.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.22 3kgl h HIS 184 CO 0.53 0.04 0.01 1.96 -3.07 0.00 0.00 177.93 177.40 3kgl h GLN 185 N 0.00 0.99 -6.26 5.12 4.20 -1.92 -3.38 115.11 113.86 3kgl h GLN 185 Ca -0.00 -0.29 -0.58 0.00 0.06 0.00 0.00 58.65 57.84 3kgl h GLN 185 Cb 0.15 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3kgl h GLN 185 CO 0.01 0.96 1.28 1.21 -0.67 0.00 0.00 178.83 181.61 3kgl s ASN 186 N -6.59 5.92 -0.39 1.46 2.47 -1.02 -4.81 114.94 111.98 3kgl s ASN 186 Ca -0.11 1.39 0.05 0.00 0.42 0.00 0.00 52.86 54.61 3kgl s ASN 186 Cb 0.14 -2.53 0.47 0.00 -1.45 0.00 0.00 41.25 37.88 3kgl s ASN 186 CO 0.84 -1.67 1.47 1.67 -3.72 0.00 0.00 177.10 175.69 3kgl n GLN 187 N 8.37 2.96 0.00 0.43 7.27 -1.26 -4.73 117.38 130.43 3kgl n GLN 187 Ca 0.23 -3.72 0.00 0.00 0.07 0.00 0.00 57.00 53.57 3kgl n GLN 187 Cb 0.46 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.94 3kgl n GLN 187 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3kgl n LEU 188 N -0.86 0.00 -3.56 1.69 4.32 -1.26 -5.18 117.00 112.15 3kgl n LEU 188 Ca 0.46 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 56.29 3kgl n LEU 188 Cb 0.90 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.64 3kgl n LEU 188 CO 0.45 -0.32 0.34 -0.62 -1.22 0.00 0.00 177.39 176.01 3kgl s ASP 189 N -2.60 -0.53 0.00 -1.43 3.68 -1.26 -4.99 116.67 109.53 3kgl s ASP 189 Ca 0.00 0.44 -0.02 0.00 2.13 0.00 0.00 52.55 55.10 3kgl s ASP 189 Cb 0.00 0.50 -0.10 0.00 -1.45 0.00 0.00 42.92 41.86 3kgl s ASP 189 CO 0.00 -0.64 2.11 0.54 0.13 0.00 0.00 175.17 177.31 3kgl n ARG 190 N 0.75 1.08 -3.85 4.34 3.00 -1.26 -4.75 116.66 115.96 3kgl n ARG 190 Ca -0.19 -0.39 -0.14 0.00 -0.01 0.00 0.00 57.85 57.12 3kgl n ARG 190 Cb 0.58 -1.54 -0.15 0.00 0.00 0.00 0.00 32.46 31.35 3kgl n ARG 190 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3kgl s ASN 191 N 2.17 0.10 -0.46 0.55 0.01 -1.26 -5.01 114.94 111.04 3kgl s ASN 191 Ca 0.26 0.01 -0.28 0.00 -0.71 0.00 0.00 52.86 52.14 3kgl s ASN 191 Cb 0.12 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.74 3kgl s ASN 191 CO 0.00 -0.06 1.51 -2.16 -1.51 0.00 0.00 177.10 174.88 3kgl s PRO 192 N 0.50 3.38 -0.45 -0.60 0.04 -1.26 -4.97 135.00 131.65 3kgl s PRO 192 Ca -0.04 0.85 -0.09 0.00 0.04 0.00 0.00 61.00 61.75 3kgl s PRO 192 Cb -0.06 -4.11 0.10 0.00 0.04 0.00 0.00 34.50 30.47 3kgl s PRO 192 CO -0.01 -1.81 0.30 1.03 0.04 0.00 0.00 177.00 176.55 3kgl s ARG 193 N 5.39 2.50 0.37 4.56 0.52 -1.26 -4.95 118.95 126.08 3kgl s ARG 193 Ca 0.62 -1.65 -0.26 0.00 -0.52 0.00 0.00 55.73 53.92 3kgl s ARG 193 Cb -0.14 -3.85 -0.09 0.00 0.52 0.00 0.00 34.95 31.39 3kgl s ARG 193 CO 0.30 -1.10 1.16 -2.14 0.02 0.00 0.00 175.30 173.54 3kgl s PRO 194 N 1.37 4.19 -0.33 3.54 0.02 -1.26 -3.70 135.00 138.83 3kgl s PRO 194 Ca 0.05 1.84 0.02 0.00 0.02 0.00 0.00 61.00 62.93 3kgl s PRO 194 Cb -0.25 -2.79 0.09 0.00 0.02 0.00 0.00 34.50 31.57 3kgl s PRO 194 CO 0.00 -0.20 0.03 -0.06 -0.33 0.00 0.00 177.00 176.44 3kgl s PHE 195 N -1.37 3.59 -0.29 6.54 0.08 0.66 -4.97 117.98 122.24 3kgl s PHE 195 Ca 0.54 -2.68 -0.23 0.00 0.12 0.00 0.00 56.93 54.68 3kgl s PHE 195 Cb -0.31 -2.68 -0.00 0.00 -0.57 0.00 0.00 43.02 39.45 3kgl s PHE 195 CO 0.39 -0.93 0.77 0.71 -0.10 0.00 0.00 175.22 176.07 3kgl s TYR 196 N 1.01 3.23 0.17 0.36 2.02 -1.26 -1.79 117.35 121.09 3kgl s TYR 196 Ca 0.05 0.87 -0.06 0.00 -0.37 0.00 0.00 57.07 57.56 3kgl s TYR 196 Cb -0.20 -3.13 0.04 0.00 -0.40 0.00 0.00 41.96 38.28 3kgl s TYR 196 CO -0.06 -0.50 1.47 -0.07 -1.57 0.00 0.00 175.55 174.82 3kgl h LEU 197 N 9.32 0.75 0.00 -1.29 4.07 -1.62 0.34 115.31 126.88 3kgl h LEU 197 Ca -0.24 -0.40 -0.00 0.00 0.08 0.00 0.00 57.88 57.31 3kgl h LEU 197 Cb 1.10 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.63 3kgl h LEU 197 CO 0.86 1.14 -0.32 0.00 -1.08 0.00 0.00 178.44 179.05 3kgl n ALA 198 N -2.54 2.41 -1.43 1.53 0.00 -1.25 -4.26 120.51 114.97 3kgl n ALA 198 Ca -0.04 -0.23 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 3kgl n ALA 198 Cb 0.61 0.19 0.07 0.00 0.00 0.00 0.00 19.45 20.33 3kgl n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgl n GLY 199 N 2.91 -0.64 3.18 0.00 0.00 -1.26 -4.61 105.19 104.77 3kgl n GLY 199 Ca -0.04 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3kgl n GLY 199 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kgl s ASN 200 N -1.48 2.98 -0.49 1.61 2.47 -1.10 -2.91 114.94 116.02 3kgl s ASN 200 Ca 0.73 -0.55 0.04 0.00 0.42 0.00 0.00 52.86 53.50 3kgl s ASN 200 Cb -0.37 -1.37 0.13 0.00 -1.45 0.00 0.00 41.25 38.19 3kgl s ASN 200 CO 0.50 0.12 0.23 0.21 -3.72 0.00 0.00 177.10 174.45 3kgl s ASN 201 N 0.53 4.31 0.18 -4.21 2.47 -0.29 -2.98 114.94 114.95 3kgl s ASN 201 Ca -0.15 -2.86 -0.13 0.00 0.42 0.00 0.00 52.86 50.14 3kgl s ASN 201 Cb -0.17 -1.58 0.14 0.00 -1.45 0.00 0.00 41.25 38.19 3kgl s ASN 201 CO 0.05 -0.25 1.77 -0.65 -3.72 0.00 0.00 177.10 174.30 3kgl h PRO 202 N 6.67 0.42 -1.11 0.43 0.11 -1.84 0.12 132.00 136.81 3kgl h PRO 202 Ca -0.07 -0.03 0.31 0.00 0.11 0.00 0.00 66.00 66.32 3kgl h PRO 202 Cb 0.91 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.86 3kgl h PRO 202 CO 0.65 0.28 0.76 1.96 -0.21 0.00 0.00 178.00 181.44 3kgl h GLN 203 N 0.43 0.14 0.00 1.05 4.20 -1.94 -3.30 115.11 115.69 3kgl h GLN 203 Ca 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3kgl h GLN 203 Cb 0.17 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3kgl h GLN 203 CO -0.18 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.48 3kgl n GLY 204 N -1.65 -1.79 2.97 3.46 0.00 -0.66 -4.59 105.19 102.93 3kgl n GLY 204 Ca 0.25 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 3kgl n GLY 204 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kgl n GLN 205 N 0.00 3.37 0.13 1.61 6.02 -1.26 -4.71 117.38 122.54 3kgl n GLN 205 Ca 0.00 -3.33 0.13 0.00 -0.01 0.00 0.00 57.00 53.79 3kgl n GLN 205 Cb 0.00 -3.07 0.29 0.00 1.02 0.00 0.00 30.24 28.48 3kgl n GLN 205 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 3kgl h VAL 206 N 4.06 0.00 0.00 5.09 -1.51 -1.94 -2.95 116.25 119.01 3kgl h VAL 206 Ca 0.43 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3kgl h VAL 206 Cb 0.68 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3kgl h VAL 206 CO 1.62 0.00 -0.06 4.11 -1.23 0.00 0.00 177.57 182.02 3kgl h TRP 207 N 0.00 0.00 -2.92 5.19 0.09 -1.98 -3.44 115.95 112.89 3kgl h TRP 207 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 58.89 58.32 3kgl h TRP 207 Cb 0.83 0.00 -0.09 0.00 0.08 0.00 0.00 29.16 29.98 3kgl h TRP 207 CO 0.00 0.00 -0.53 0.42 0.09 0.00 0.00 178.44 178.42 3kgl s ILE 208 N -3.12 5.06 -0.22 0.12 1.01 -1.11 -4.84 121.20 118.09 3kgl s ILE 208 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 3kgl s ILE 208 Cb 0.11 -3.25 0.18 0.00 0.01 0.00 0.00 42.46 39.51 3kgl s ILE 208 CO 0.62 0.49 1.85 1.21 0.00 0.00 0.00 174.94 179.11 3kgl n GLU 209 N 1.60 1.56 0.00 2.79 2.13 -1.26 -4.48 120.64 122.98 3kgl n GLU 209 Ca -0.16 -1.14 0.00 0.00 0.66 0.00 0.00 57.16 56.52 3kgl n GLU 209 Cb 0.54 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.80 3kgl n GLU 209 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kgl n GLY 210 N 0.47 -1.87 0.00 8.31 0.00 -1.26 -5.00 105.19 105.84 3kgl n GLY 210 Ca 0.22 0.84 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3kgl n GLY 210 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kgl n ARG 211 N 0.00 0.89 -3.40 1.61 0.63 -1.26 -5.08 116.66 110.04 3kgl n ARG 211 Ca 0.00 -0.78 -0.14 0.00 -0.92 0.00 0.00 57.85 56.02 3kgl n ARG 211 Cb 0.00 -0.66 0.01 0.00 0.45 0.00 0.00 32.46 32.26 3kgl n ARG 211 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kgl n GLU 212 N -0.15 -1.42 -3.97 -0.14 1.02 -1.26 -3.09 120.64 111.63 3kgl n GLU 212 Ca 0.00 1.07 -0.31 0.00 -0.02 0.00 0.00 57.16 57.89 3kgl n GLU 212 Cb 0.40 -4.43 0.02 0.00 -0.02 0.00 0.00 31.44 27.40 3kgl n GLU 212 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kgl n GLN 213 N -2.51 -5.12 -4.06 3.49 6.02 -1.26 -4.95 117.38 108.98 3kgl n GLN 213 Ca -0.12 0.56 -0.34 0.00 -0.01 0.00 0.00 57.00 57.09 3kgl n GLN 213 Cb 0.58 -5.43 -0.07 0.00 1.02 0.00 0.00 30.24 26.35 3kgl n GLN 213 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kgl s GLN 214 N -6.68 3.20 0.95 -1.09 -0.21 -1.18 -5.00 119.66 109.65 3kgl s GLN 214 Ca 0.69 -0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.59 3kgl s GLN 214 Cb -0.35 -2.96 0.16 0.00 1.00 0.00 0.00 33.01 30.86 3kgl s GLN 214 CO 0.85 0.69 1.09 -2.14 -2.12 0.00 0.00 175.29 173.66 3kgl s PRO 215 N -1.47 0.78 -0.45 2.91 0.02 -1.24 -3.72 135.00 131.82 3kgl s PRO 215 Ca 0.20 0.95 0.04 0.00 0.02 0.00 0.00 61.00 62.21 3kgl s PRO 215 Cb -0.12 -1.74 0.12 0.00 0.02 0.00 0.00 34.50 32.78 3kgl s PRO 215 CO 0.11 -2.60 0.19 -1.14 -0.33 0.00 0.00 177.00 173.22 3kgl s GLN 216 N -4.79 1.76 0.65 5.54 0.74 0.34 -4.75 119.66 119.15 3kgl s GLN 216 Ca 0.65 -2.33 -0.13 0.00 0.05 0.00 0.00 55.36 53.60 3kgl s GLN 216 Cb -0.20 -3.20 -0.01 0.00 1.10 0.00 0.00 33.01 30.69 3kgl s GLN 216 CO 0.59 -1.06 1.06 -1.59 -0.55 0.00 0.00 175.29 173.74 3kgl s LYS 217 N 0.15 3.08 1.11 1.67 0.00 -1.26 -1.14 119.74 123.36 3kgl s LYS 217 Ca 0.15 1.06 -0.12 0.00 0.00 0.00 0.00 55.97 57.06 3kgl s LYS 217 Cb -0.24 -2.01 0.26 0.00 0.00 0.00 0.00 37.83 35.84 3kgl s LYS 217 CO -0.03 -0.99 1.05 0.54 0.00 0.00 0.00 175.35 175.92 3kgl s ASN 218 N -3.36 1.37 0.41 0.03 2.20 -1.15 -4.84 114.94 109.61 3kgl s ASN 218 Ca 0.60 1.64 0.18 0.00 -0.94 0.00 0.00 52.86 54.35 3kgl s ASN 218 Cb -0.15 -2.35 0.88 0.00 -2.00 0.00 0.00 41.25 37.64 3kgl s ASN 218 CO 0.47 -3.98 1.85 0.40 -2.94 0.00 0.00 177.10 172.91 3kgl h ILE 219 N -2.47 0.97 0.00 0.54 2.04 -0.49 -2.06 117.51 116.04 3kgl h ILE 219 Ca -0.58 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.05 3kgl h ILE 219 Cb 1.32 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3kgl h ILE 219 CO 0.49 0.31 -0.23 -0.07 0.00 0.00 0.00 178.15 178.64 3kgl h LEU 220 N 0.00 0.00 -1.89 1.44 4.07 -1.81 -3.14 115.31 113.98 3kgl h LEU 220 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3kgl h LEU 220 Cb 0.66 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 3kgl h LEU 220 CO 0.04 0.23 -0.07 -1.13 -1.08 0.00 0.00 178.44 176.43 3kgl h ASN 221 N 0.00 0.00 0.82 -0.43 -0.73 -1.61 -2.96 115.58 110.67 3kgl h ASN 221 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3kgl h ASN 221 Cb 0.81 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.40 3kgl h ASN 221 CO 0.03 0.07 0.00 0.61 -0.37 0.00 0.00 177.43 177.77 3kgl n GLY 222 N -0.43 -1.39 3.93 1.57 0.00 -1.19 -4.78 105.19 102.90 3kgl n GLY 222 Ca -0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 3kgl n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kgl s PHE 223 N -2.85 3.49 0.62 1.61 0.08 -1.12 -5.07 117.98 114.74 3kgl s PHE 223 Ca 0.19 0.26 -0.19 0.00 0.12 0.00 0.00 56.93 57.31 3kgl s PHE 223 Cb 0.19 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 3kgl s PHE 223 CO 0.49 0.49 1.27 0.95 -0.10 0.00 0.00 175.22 178.32 3kgl s THR 224 N -1.70 2.23 0.33 0.64 -4.23 -1.26 -4.90 115.64 106.74 3kgl s THR 224 Ca 0.36 0.14 0.15 0.00 -1.18 0.00 0.00 61.69 61.17 3kgl s THR 224 Cb -0.12 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.77 3kgl s THR 224 CO 0.28 -0.03 1.81 -0.65 -0.54 0.00 0.00 174.62 175.49 3kgl h PRO 225 N 0.72 0.00 0.00 3.99 0.11 -1.94 -2.98 132.00 131.90 3kgl h PRO 225 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kgl h PRO 225 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3kgl h PRO 225 CO 0.54 0.38 -0.03 1.05 -0.21 0.00 0.00 178.00 179.73 3kgl h GLU 226 N 0.00 0.00 0.16 1.05 9.09 -1.91 -1.00 114.58 121.97 3kgl h GLU 226 Ca -0.00 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.10 3kgl h GLU 226 Cb 0.72 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.85 3kgl h GLU 226 CO 0.05 0.03 -1.29 0.28 0.05 0.00 0.00 179.01 178.13 3kgl h VAL 227 N 0.00 1.29 -0.69 -1.06 2.07 -1.90 -2.62 116.25 113.34 3kgl h VAL 227 Ca -0.00 -2.52 0.02 0.00 0.82 0.00 0.00 66.70 65.02 3kgl h VAL 227 Cb 0.72 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 3kgl h VAL 227 CO 0.00 0.76 0.46 -0.07 0.02 0.00 0.00 177.57 178.74 3kgl h LEU 228 N 0.22 0.76 0.37 2.57 4.07 -1.41 -1.10 115.31 120.79 3kgl h LEU 228 Ca -0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 3kgl h LEU 228 Cb 1.98 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.54 3kgl h LEU 228 CO 0.25 0.54 -0.18 0.00 -1.08 0.00 0.00 178.44 177.97 3kgl h ALA 229 N 1.58 -0.50 0.00 1.53 0.00 -1.14 0.61 119.26 121.34 3kgl h ALA 229 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kgl h ALA 229 Cb -0.03 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kgl h ALA 229 CO -0.07 -0.74 0.00 1.63 0.00 0.00 0.00 179.25 180.07 3kgl n LYS 230 N -5.27 0.04 -0.08 0.00 5.02 -0.99 -1.59 118.16 115.28 3kgl n LYS 230 Ca -0.11 0.20 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 3kgl n LYS 230 Cb 0.23 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 3kgl n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kgl n ALA 231 N -1.47 1.26 0.55 7.82 0.00 -0.43 -4.38 120.51 123.86 3kgl n ALA 231 Ca 0.05 -0.94 0.11 0.00 0.00 0.00 0.00 53.44 52.66 3kgl n ALA 231 Cb 0.19 -0.30 0.07 0.00 0.00 0.00 0.00 19.45 19.40 3kgl n ALA 231 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kgl n PHE 232 N -3.32 0.36 -3.02 0.00 3.72 0.17 -4.96 117.46 110.41 3kgl n PHE 232 Ca -0.41 0.11 -0.12 0.00 -0.05 0.00 0.00 57.45 56.98 3kgl n PHE 232 Cb 1.01 -0.51 0.04 0.00 -0.94 0.00 0.00 39.48 39.08 3kgl n PHE 232 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kgl n LYS 233 N -2.02 -3.94 -4.51 -1.08 4.76 -0.62 -5.04 118.16 105.71 3kgl n LYS 233 Ca 0.02 0.41 -0.24 0.00 -2.87 0.00 0.00 58.31 55.64 3kgl n LYS 233 Cb 0.44 -4.19 -0.11 0.00 -1.84 0.00 0.00 35.03 29.34 3kgl n LYS 233 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3kgl s ILE 234 N -3.16 1.49 0.77 -0.18 -4.36 -1.04 -5.06 121.20 109.67 3kgl s ILE 234 Ca 0.27 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.54 3kgl s ILE 234 Cb -0.12 -2.87 0.06 0.00 1.25 0.00 0.00 42.46 40.79 3kgl s ILE 234 CO 0.36 0.00 1.12 -0.62 0.24 0.00 0.00 174.94 176.05 3kgl s ASP 235 N -3.57 4.23 0.30 4.36 2.15 -1.26 -4.61 116.67 118.27 3kgl s ASP 235 Ca 0.36 2.02 0.06 0.00 0.43 0.00 0.00 52.55 55.41 3kgl s ASP 235 Cb 0.09 -2.55 0.49 0.00 -0.30 0.00 0.00 42.92 40.66 3kgl s ASP 235 CO 0.16 -2.23 1.74 0.58 -0.17 0.00 0.00 175.17 175.26 3kgl h VAL 236 N -0.94 1.28 -0.00 1.11 2.07 -1.94 -0.71 116.25 117.11 3kgl h VAL 236 Ca -0.45 -1.34 -0.15 0.00 0.82 0.00 0.00 66.70 65.58 3kgl h VAL 236 Cb 1.25 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3kgl h VAL 236 CO 0.49 0.41 -0.68 0.03 0.02 0.00 0.00 177.57 177.84 3kgl h ARG 237 N 0.26 0.03 -0.14 1.57 -0.00 -1.95 -1.80 114.38 112.35 3kgl h ARG 237 Ca 0.03 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.98 59.30 3kgl h ARG 237 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.69 3kgl h ARG 237 CO 0.05 0.70 -0.69 1.15 0.00 0.00 0.00 179.97 181.18 3kgl h THR 238 N 0.02 1.32 -0.25 2.04 2.02 -1.86 -3.03 112.91 113.18 3kgl h THR 238 Ca -0.01 -1.98 -0.01 0.00 0.77 0.00 0.00 66.41 65.19 3kgl h THR 238 Cb 1.21 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 3kgl h THR 238 CO 0.09 0.61 0.12 0.00 0.37 0.00 0.00 175.52 176.72 3kgl h ALA 239 N 0.80 0.32 0.00 6.16 0.00 -1.01 -2.70 119.26 122.82 3kgl h ALA 239 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kgl h ALA 239 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kgl h ALA 239 CO 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3kgl n GLN 240 N -4.83 0.15 0.08 0.00 10.64 -0.69 -1.71 117.38 121.02 3kgl n GLN 240 Ca -0.03 0.17 -0.10 0.00 -1.83 0.00 0.00 57.00 55.21 3kgl n GLN 240 Cb 0.09 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 27.89 3kgl n GLN 240 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3kgl h GLN 241 N 0.00 0.13 0.00 2.61 4.20 -1.35 -3.21 115.11 117.50 3kgl h GLN 241 Ca 0.00 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.51 3kgl h GLN 241 Cb 0.19 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3kgl h GLN 241 CO 0.00 1.04 0.00 1.28 -0.67 0.00 0.00 178.83 180.48 3kgl n LEU 242 N -3.51 0.00 -0.31 1.46 4.77 -0.70 -2.68 117.00 116.04 3kgl n LEU 242 Ca -0.03 0.31 0.14 0.00 -0.03 0.00 0.00 56.01 56.39 3kgl n LEU 242 Cb 0.91 -0.31 0.50 0.00 -2.33 0.00 0.00 43.42 42.19 3kgl n LEU 242 CO 0.49 -0.13 0.79 0.00 -1.33 0.00 0.00 177.39 177.22 3kgl n GLN 243 N -1.31 1.16 -3.84 3.23 6.02 -1.21 -4.66 117.38 116.77 3kgl n GLN 243 Ca 0.08 -0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 56.12 3kgl n GLN 243 Cb 0.15 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 3kgl n GLN 243 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kgl n ASN 244 N -0.37 -1.22 -4.63 1.08 5.03 -1.09 -4.54 115.26 109.52 3kgl n ASN 244 Ca 0.16 -0.96 -0.52 0.00 0.87 0.00 0.00 54.58 54.13 3kgl n ASN 244 Cb 0.33 -1.22 -0.06 0.00 -1.02 0.00 0.00 39.78 37.80 3kgl n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kgl n GLN 245 N -3.27 1.50 -2.11 3.52 6.02 -1.26 -1.79 117.38 119.99 3kgl n GLN 245 Ca 0.06 0.52 -0.20 0.00 -0.01 0.00 0.00 57.00 57.37 3kgl n GLN 245 Cb 0.36 -2.41 -0.04 0.00 1.02 0.00 0.00 30.24 29.18 3kgl n GLN 245 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3kgl n GLN 246 N 6.67 -1.53 -2.02 -1.09 6.02 -1.26 -4.94 117.38 119.24 3kgl n GLN 246 Ca 0.29 1.05 -0.42 0.00 -0.01 0.00 0.00 57.00 57.91 3kgl n GLN 246 Cb 0.22 -5.57 -0.03 0.00 1.02 0.00 0.00 30.24 25.88 3kgl n GLN 246 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kgl s ASP 247 N -2.33 6.68 0.26 1.08 -1.08 -0.74 -4.93 116.67 115.61 3kgl s ASP 247 Ca 0.00 2.37 0.17 0.00 -0.52 0.00 0.00 52.55 54.57 3kgl s ASP 247 Cb 0.00 -2.56 0.07 0.00 -1.46 0.00 0.00 42.92 38.97 3kgl s ASP 247 CO 0.00 -0.83 1.35 0.78 0.52 0.00 0.00 175.17 176.99 3kgl h ASN 248 N 8.14 0.00 -0.29 -0.34 -0.26 -1.91 -3.39 115.58 117.54 3kgl h ASN 248 Ca -0.41 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.41 3kgl h ASN 248 Cb 1.19 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 3kgl h ASN 248 CO 0.92 0.42 0.29 0.03 -1.06 0.00 0.00 177.43 178.03 3kgl h ARG 249 N 0.00 0.00 0.00 0.81 3.08 -1.92 -3.44 114.38 112.91 3kgl h ARG 249 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kgl h ARG 249 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3kgl h ARG 249 CO 0.05 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 3kgl n GLY 250 N -1.46 0.50 0.00 0.04 0.00 -1.16 0.48 105.19 103.60 3kgl n GLY 250 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3kgl n GLY 250 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kgl n ASN 251 N 3.68 0.09 -4.16 1.61 2.85 -1.26 -2.72 115.26 115.35 3kgl n ASN 251 Ca 0.00 -0.45 -0.36 0.00 -0.11 0.00 0.00 54.58 53.67 3kgl n ASN 251 Cb 0.00 0.64 -0.13 0.00 1.24 0.00 0.00 39.78 41.53 3kgl n ASN 251 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3kgl s ILE 252 N -0.64 3.18 0.27 -1.44 1.01 -1.26 -0.72 121.20 121.61 3kgl s ILE 252 Ca 0.00 -1.66 0.08 0.00 0.00 0.00 0.00 60.65 59.07 3kgl s ILE 252 Cb 0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3kgl s ILE 252 CO 0.00 -0.37 0.10 0.27 0.00 0.00 0.00 174.94 174.95 3kgl s ILE 253 N 1.21 3.84 -0.04 2.92 -4.36 -0.69 -0.13 121.20 123.95 3kgl s ILE 253 Ca 0.01 -1.66 -0.19 0.00 -0.26 0.00 0.00 60.65 58.56 3kgl s ILE 253 Cb -0.21 -3.10 -0.05 0.00 1.25 0.00 0.00 42.46 40.35 3kgl s ILE 253 CO -0.02 -0.34 0.52 -0.60 0.24 0.00 0.00 174.94 174.74 3kgl s ARG 254 N -3.77 4.25 -0.11 0.37 3.52 -1.26 -0.30 118.95 121.65 3kgl s ARG 254 Ca 0.33 0.57 -0.26 0.00 -0.13 0.00 0.00 55.73 56.25 3kgl s ARG 254 Cb -0.07 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 3kgl s ARG 254 CO 0.23 0.36 0.82 0.08 -0.81 0.00 0.00 175.30 175.98 3kgl s VAL 255 N -0.09 4.93 -0.14 7.11 1.01 -0.21 -4.96 120.40 128.04 3kgl s VAL 255 Ca 0.28 1.65 -0.18 0.00 0.00 0.00 0.00 61.98 63.73 3kgl s VAL 255 Cb -0.17 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3kgl s VAL 255 CO 0.14 0.11 0.48 -1.10 0.00 0.00 0.00 175.10 174.73 3kgl s GLN 256 N 1.57 4.29 2.26 2.72 -1.52 -1.26 -4.92 119.66 122.81 3kgl s GLN 256 Ca 0.40 0.41 0.00 0.00 -1.95 0.00 0.00 55.36 54.23 3kgl s GLN 256 Cb -0.18 -3.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.14 3kgl s GLN 256 CO 0.17 0.08 0.00 0.41 -0.25 0.00 0.00 175.29 175.70 3kgl n GLY 257 N 3.45 -0.78 3.89 3.09 0.00 -1.26 -4.93 105.19 108.65 3kgl n GLY 257 Ca -0.07 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 3kgl n GLY 257 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kgl s PRO 258 N 0.00 3.60 -0.56 1.61 0.02 -1.26 -5.01 135.00 133.40 3kgl s PRO 258 Ca 0.00 0.35 0.06 0.00 0.02 0.00 0.00 61.00 61.43 3kgl s PRO 258 Cb 0.00 -2.33 0.31 0.00 0.02 0.00 0.00 34.50 32.51 3kgl s PRO 258 CO 0.00 -0.24 0.84 0.34 -0.33 0.00 0.00 177.00 177.62 3kgl n PHE 259 N -2.17 3.26 -2.65 6.54 7.35 -1.26 -5.01 117.46 123.53 3kgl n PHE 259 Ca 0.02 -4.00 -0.43 0.00 -0.76 0.00 0.00 57.45 52.28 3kgl n PHE 259 Cb 0.55 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.88 3kgl n PHE 259 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3kgl n SER 260 N 0.21 4.98 -0.05 -2.13 3.41 -1.26 -4.66 113.62 114.12 3kgl n SER 260 Ca 0.29 -2.95 -0.04 0.00 -0.26 0.00 0.00 58.87 55.92 3kgl n SER 260 Cb 0.43 -1.67 -0.11 0.00 -0.26 0.00 0.00 64.21 62.61 3kgl n SER 260 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kgl n VAL 261 N 5.51 0.74 -4.53 -3.33 0.31 -1.26 -4.99 118.33 110.78 3kgl n VAL 261 Ca 0.44 -0.53 -0.27 0.00 -0.01 0.00 0.00 64.34 63.97 3kgl n VAL 261 Cb 0.44 -0.48 -0.10 0.00 -0.91 0.00 0.00 33.84 32.78 3kgl n VAL 261 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kgl s ILE 262 N -2.46 2.06 -0.38 2.52 1.01 -1.26 -4.99 121.20 117.70 3kgl s ILE 262 Ca -0.06 -1.94 0.06 0.00 0.00 0.00 0.00 60.65 58.70 3kgl s ILE 262 Cb 0.05 -3.00 0.50 0.00 0.01 0.00 0.00 42.46 40.02 3kgl s ILE 262 CO 0.56 0.00 1.55 -2.11 0.00 0.00 0.00 174.94 174.94 3kgl n ARG 263 N -1.02 2.44 -2.27 2.79 1.85 -1.26 -5.00 116.66 114.19 3kgl n ARG 263 Ca -0.04 -3.43 -0.03 0.00 -1.00 0.00 0.00 57.85 53.34 3kgl n ARG 263 Cb 0.67 -2.05 -0.01 0.00 -1.05 0.00 0.00 32.46 30.02 3kgl n ARG 263 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3kgl n PRO 264 N -0.99 1.67 -0.31 2.89 -0.05 -1.26 -4.74 135.00 132.21 3kgl n PRO 264 Ca 0.44 -0.38 0.12 0.00 -0.05 0.00 0.00 63.50 63.63 3kgl n PRO 264 Cb 1.00 0.12 0.29 0.00 -0.05 0.00 0.00 33.50 34.86 3kgl n PRO 264 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 175.50 173.15 3kgl n PRO 265 N -0.12 2.65 -1.47 0.54 -0.02 -1.26 -5.07 135.00 130.24 3kgl n PRO 265 Ca -0.02 -2.54 -0.54 0.00 -2.02 0.00 0.00 63.50 58.38 3kgl n PRO 265 Cb 0.07 -1.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 3kgl n PRO 265 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kgl n LEU 266 N 1.62 1.91 -4.51 2.45 4.32 -1.26 -4.70 117.00 116.83 3kgl n LEU 266 Ca 0.23 0.64 -0.46 0.00 -0.02 0.00 0.00 56.01 56.40 3kgl n LEU 266 Cb 0.62 -1.16 -0.06 0.00 -1.62 0.00 0.00 43.42 41.21 3kgl n LEU 266 CO 0.17 -0.66 1.88 0.54 -1.22 0.00 0.00 177.39 178.09 3kgl n ARG 267 N 7.35 1.27 -2.28 3.23 5.12 -1.26 -5.17 116.66 124.92 3kgl n ARG 267 Ca 0.40 0.30 -0.02 0.00 -1.93 0.00 0.00 57.85 56.61 3kgl n ARG 267 Cb 0.15 -2.78 -0.01 0.00 -1.16 0.00 0.00 32.46 28.65 3kgl n ARG 267 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3kgl n SER 268 N 11.33 -3.73 0.00 0.55 7.64 -1.26 -5.24 113.62 122.91 3kgl n SER 268 Ca 0.39 0.94 0.00 0.00 1.01 0.00 0.00 58.87 61.21 3kgl n SER 268 Cb 0.33 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 3kgl n SER 268 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3kgl n GLU 280 N 0.77 0.00 -0.69 1.43 0.28 -1.26 -5.20 120.64 115.97 3kgl n GLU 280 Ca -0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.87 3kgl n GLU 280 Cb 0.20 0.00 0.23 0.00 1.43 0.00 0.00 31.44 33.30 3kgl n GLU 280 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3kgl n THR 281 N 0.00 2.50 -3.85 3.84 -2.24 -1.26 -4.88 114.28 108.40 3kgl n THR 281 Ca 0.00 -2.28 -0.30 0.00 -2.27 0.00 0.00 64.05 59.20 3kgl n THR 281 Cb 0.00 -0.31 -0.15 0.00 -2.10 0.00 0.00 70.33 67.77 3kgl n THR 281 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kgl s ILE 282 N -3.07 1.26 -1.77 2.28 1.01 -1.26 -4.94 121.20 114.71 3kgl s ILE 282 Ca 0.45 -1.36 0.27 0.00 0.00 0.00 0.00 60.65 60.00 3kgl s ILE 282 Cb 0.39 -1.77 0.30 0.00 0.01 0.00 0.00 42.46 41.38 3kgl s ILE 282 CO 0.05 -0.40 1.60 0.00 0.00 0.00 0.00 174.94 176.18 3kgl n SER 284 N -0.64 0.73 -4.50 0.00 2.88 -1.26 -4.99 113.62 105.83 3kgl n SER 284 Ca 0.13 -0.64 -0.50 0.00 -1.33 0.00 0.00 58.87 56.53 3kgl n SER 284 Cb 0.34 1.06 -0.04 0.00 -0.75 0.00 0.00 64.21 64.82 3kgl n SER 284 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kgl n ALA 285 N -1.68 -2.01 -1.88 -1.46 0.00 -1.24 -4.84 120.51 107.41 3kgl n ALA 285 Ca 0.02 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.52 3kgl n ALA 285 Cb 0.39 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 3kgl n ALA 285 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kgl s ARG 286 N -0.68 4.18 -0.11 0.00 3.52 -1.26 -4.89 118.95 119.71 3kgl s ARG 286 Ca 0.71 2.38 0.14 0.00 -0.13 0.00 0.00 55.73 58.83 3kgl s ARG 286 Cb -0.94 -3.79 0.33 0.00 -1.56 0.00 0.00 34.95 28.99 3kgl s ARG 286 CO 0.56 -0.81 1.23 0.00 -0.81 0.00 0.00 175.30 175.47 3kgl s THR 288 N -2.34 0.04 0.01 0.00 2.01 -1.26 -2.26 115.64 111.84 3kgl s THR 288 Ca 0.30 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.77 3kgl s THR 288 Cb 0.24 -0.61 0.05 0.00 0.01 0.00 0.00 72.50 72.19 3kgl s THR 288 CO 0.06 -0.16 0.51 -0.62 -0.69 0.00 0.00 174.62 173.71 3kgl s ASP 289 N -0.83 -0.43 -0.25 3.53 2.15 -0.80 -4.97 116.67 115.07 3kgl s ASP 289 Ca -0.09 0.26 -0.12 0.00 0.43 0.00 0.00 52.55 53.03 3kgl s ASP 289 Cb -0.04 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 43.00 3kgl s ASP 289 CO 0.03 -0.64 0.22 0.21 -0.17 0.00 0.00 175.17 174.82 3kgl s ASN 290 N -1.69 6.14 0.06 -0.34 3.84 -1.26 -0.26 114.94 121.42 3kgl s ASN 290 Ca -0.08 0.14 0.14 0.00 0.21 0.00 0.00 52.86 53.28 3kgl s ASN 290 Cb -0.01 -2.14 -0.15 0.00 -0.55 0.00 0.00 41.25 38.40 3kgl s ASN 290 CO 0.02 -0.01 0.89 -0.07 -2.79 0.00 0.00 177.10 175.14 3kgl h LEU 291 N 7.91 0.00 0.00 3.21 3.38 -1.28 -3.32 115.31 125.21 3kgl h LEU 291 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3kgl h LEU 291 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3kgl h LEU 291 CO 0.63 0.74 0.00 0.47 0.09 0.00 0.00 178.44 180.37 3kgl n ASP 292 N -3.02 0.00 -4.54 -0.43 8.00 -1.26 -4.54 116.55 110.76 3kgl n ASP 292 Ca -0.09 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.72 3kgl n ASP 292 Cb 0.90 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.81 3kgl n ASP 292 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kgl s ASP 293 N -2.30 6.41 0.15 -2.24 2.15 -1.25 -4.87 116.67 114.71 3kgl s ASP 293 Ca 0.22 -0.13 0.27 0.00 0.43 0.00 0.00 52.55 53.34 3kgl s ASP 293 Cb 0.12 -2.45 0.94 0.00 -0.30 0.00 0.00 42.92 41.23 3kgl s ASP 293 CO 0.25 -1.18 1.82 -2.65 -0.17 0.00 0.00 175.17 173.23 3kgl n PRO 294 N 7.43 0.18 -0.24 4.34 -0.02 -1.26 -2.86 135.00 142.57 3kgl n PRO 294 Ca 0.04 0.16 0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3kgl n PRO 294 Cb 0.48 -1.72 0.16 0.00 -0.02 0.00 0.00 33.50 32.40 3kgl n PRO 294 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kgl h SER 295 N 0.00 -0.08 -2.32 2.55 0.87 -1.96 -2.11 113.55 110.51 3kgl h SER 295 Ca 0.00 0.15 -0.72 0.00 -1.23 0.00 0.00 61.79 59.99 3kgl h SER 295 Cb 0.65 0.22 -0.33 0.00 -0.44 0.00 0.00 62.40 62.50 3kgl h SER 295 CO 0.00 -0.06 0.32 -0.46 -0.53 0.00 0.00 176.83 176.10 3kgl n ASN 296 N -5.20 6.05 -4.77 6.23 6.94 -1.14 -5.04 115.26 118.34 3kgl n ASN 296 Ca 0.13 -3.65 -0.25 0.00 -0.02 0.00 0.00 54.58 50.78 3kgl n ASN 296 Cb 0.43 -0.93 -0.06 0.00 -2.36 0.00 0.00 39.78 36.87 3kgl n ASN 296 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kgl s ALA 297 N -3.79 3.49 0.09 -2.53 0.00 -0.80 -4.69 121.76 113.53 3kgl s ALA 297 Ca 0.42 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 3kgl s ALA 297 Cb 0.21 -1.26 -0.24 0.00 0.00 0.00 0.00 23.12 21.83 3kgl s ALA 297 CO -0.11 0.44 1.18 -0.44 0.00 0.00 0.00 175.76 176.83 3kgl h ASP 298 N 2.26 0.45 -3.61 0.00 5.19 -1.03 -3.44 116.42 116.25 3kgl h ASP 298 Ca -0.48 -0.45 -0.23 0.00 -0.62 0.00 0.00 57.03 55.25 3kgl h ASP 298 Cb 1.21 -0.14 -0.30 0.00 0.18 0.00 0.00 39.33 40.28 3kgl h ASP 298 CO 0.62 1.33 -0.63 0.54 -3.12 0.00 0.00 179.24 177.98 3kgl s VAL 299 N -2.79 -0.03 -0.38 -1.35 0.11 -0.91 -4.97 120.40 110.08 3kgl s VAL 299 Ca -0.04 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.11 3kgl s VAL 299 Cb 0.07 -0.16 0.14 0.00 -1.53 0.00 0.00 36.38 34.90 3kgl s VAL 299 CO 0.88 0.04 0.21 -0.47 -3.33 0.00 0.00 175.10 172.44 3kgl s TYR 300 N 0.61 1.14 -0.54 1.54 5.04 -1.26 -0.87 117.35 123.01 3kgl s TYR 300 Ca -0.05 -1.87 -0.02 0.00 -2.44 0.00 0.00 57.07 52.70 3kgl s TYR 300 Cb -0.06 -1.25 0.14 0.00 0.35 0.00 0.00 41.96 41.14 3kgl s TYR 300 CO -0.03 -0.82 0.34 0.15 -1.34 0.00 0.00 175.55 173.86 3kgl s LYS 301 N 0.88 2.31 0.42 4.97 -0.14 -0.82 -5.00 119.74 122.36 3kgl s LYS 301 Ca 0.17 -2.32 0.13 0.00 -1.36 0.00 0.00 55.97 52.59 3kgl s LYS 301 Cb -0.23 -3.63 0.98 0.00 -1.68 0.00 0.00 37.83 33.27 3kgl s LYS 301 CO -0.01 -1.13 1.95 -1.35 -0.76 0.00 0.00 175.35 174.05 3kgl h PRO 302 N 7.27 0.47 -1.02 -1.68 0.11 -1.97 0.57 132.00 135.76 3kgl h PRO 302 Ca -0.05 -0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.28 3kgl h PRO 302 Cb 0.97 -0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.86 3kgl h PRO 302 CO 0.70 0.31 0.61 -0.56 -0.21 0.00 0.00 178.00 178.85 3kgl h GLN 303 N 0.48 0.51 0.00 1.05 3.07 -2.03 -3.35 115.11 114.84 3kgl h GLN 303 Ca 0.32 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 59.02 3kgl h GLN 303 Cb 0.60 -0.12 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 3kgl h GLN 303 CO -0.10 0.34 -0.98 1.28 0.09 0.00 0.00 178.83 179.46 3kgl n LEU 304 N -4.83 1.90 0.00 0.06 4.32 0.18 -4.80 117.00 113.83 3kgl n LEU 304 Ca 0.27 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 3kgl n LEU 304 Cb 0.79 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3kgl n LEU 304 CO 0.18 -0.28 0.00 0.61 -1.22 0.00 0.00 177.39 176.68 3kgl n GLY 305 N 1.54 -1.24 3.22 -0.72 0.00 0.05 -0.24 105.19 107.80 3kgl n GLY 305 Ca -0.14 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 3kgl n GLY 305 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kgl s TYR 306 N -3.00 1.23 -0.04 1.61 -0.85 -0.26 -1.94 117.35 114.09 3kgl s TYR 306 Ca 0.00 -0.63 0.03 0.00 -0.52 0.00 0.00 57.07 55.94 3kgl s TYR 306 Cb 0.00 -0.65 0.01 0.00 0.38 0.00 0.00 41.96 41.70 3kgl s TYR 306 CO 0.00 0.07 -0.11 0.42 -1.52 0.00 0.00 175.55 174.41 3kgl s ILE 307 N -2.49 1.02 0.25 -3.49 1.01 -0.04 -1.94 121.20 115.52 3kgl s ILE 307 Ca 0.09 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.38 3kgl s ILE 307 Cb -0.03 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 3kgl s ILE 307 CO 0.01 0.32 -0.02 -0.44 0.00 0.00 0.00 174.94 174.81 3kgl s SER 308 N 0.40 4.49 0.07 3.58 0.01 0.13 -0.35 113.70 122.02 3kgl s SER 308 Ca -0.08 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.54 3kgl s SER 308 Cb -0.12 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 3kgl s SER 308 CO 0.02 0.02 -0.04 -0.89 0.41 0.00 0.00 173.24 172.75 3kgl s THR 309 N -2.24 0.40 -0.48 1.44 2.01 -1.26 -1.10 115.64 114.40 3kgl s THR 309 Ca 0.31 -1.81 0.03 0.00 0.31 0.00 0.00 61.69 60.53 3kgl s THR 309 Cb -0.07 -1.52 0.16 0.00 0.01 0.00 0.00 72.50 71.08 3kgl s THR 309 CO 0.19 -0.92 0.35 -0.76 -0.69 0.00 0.00 174.62 172.78 3kgl s LEU 310 N -2.89 2.34 0.00 4.42 1.43 -1.02 -4.96 118.68 118.01 3kgl s LEU 310 Ca 0.08 -3.09 -0.18 0.00 -1.03 0.00 0.00 54.13 49.91 3kgl s LEU 310 Cb 0.06 -0.80 0.26 0.00 0.03 0.00 0.00 46.19 45.74 3kgl s LEU 310 CO -0.08 -0.18 1.19 0.59 0.23 0.00 0.00 176.35 178.10 3kgl n ASN 311 N 2.88 -0.98 0.25 2.29 5.03 -1.26 -3.49 115.26 119.98 3kgl n ASN 311 Ca 0.22 -1.31 0.14 0.00 0.87 0.00 0.00 54.58 54.50 3kgl n ASN 311 Cb 0.42 -0.99 0.58 0.00 -1.02 0.00 0.00 39.78 38.77 3kgl n ASN 311 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3kgl h SER 312 N -2.19 0.00 1.11 6.41 4.64 -1.60 -2.89 113.55 119.02 3kgl h SER 312 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3kgl h SER 312 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3kgl h SER 312 CO 0.28 0.10 0.00 1.88 -0.87 0.00 0.00 176.83 178.22 3kgl h TYR 313 N 0.00 0.00 0.05 4.77 0.05 -1.91 -2.46 116.97 117.47 3kgl h TYR 313 Ca -0.00 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.44 3kgl h TYR 313 Cb 0.62 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 3kgl h TYR 313 CO 0.00 0.00 -1.91 -0.25 -1.05 0.00 0.00 178.16 174.95 3kgl n ASP 314 N -2.75 1.99 -3.68 3.88 8.00 -1.10 -4.76 116.55 118.13 3kgl n ASP 314 Ca 0.02 0.25 -0.29 0.00 0.71 0.00 0.00 54.79 55.48 3kgl n ASP 314 Cb 0.33 -0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 3kgl n ASP 314 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kgl s LEU 315 N -7.31 2.59 0.65 0.64 1.43 -1.16 -5.01 118.68 110.51 3kgl s LEU 315 Ca -0.29 -2.69 0.13 0.00 -1.03 0.00 0.00 54.13 50.26 3kgl s LEU 315 Cb 0.08 -0.98 0.60 0.00 0.03 0.00 0.00 46.19 45.92 3kgl s LEU 315 CO 0.64 -0.25 1.30 -0.65 0.23 0.00 0.00 176.35 177.62 3kgl h PRO 316 N 6.61 0.00 -0.82 1.29 0.11 -1.73 0.26 132.00 137.73 3kgl h PRO 316 Ca 0.02 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.14 3kgl h PRO 316 Cb 0.92 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 3kgl h PRO 316 CO 0.47 0.00 0.54 0.97 -0.21 0.00 0.00 178.00 179.77 3kgl h ILE 317 N 0.00 1.21 -0.96 4.15 6.09 -1.88 -2.22 117.51 123.91 3kgl h ILE 317 Ca 0.11 -0.40 0.27 0.00 -1.37 0.00 0.00 64.86 63.48 3kgl h ILE 317 Cb 1.87 0.01 -0.04 0.00 0.47 0.00 0.00 36.82 39.13 3kgl h ILE 317 CO -0.00 0.21 0.68 -0.07 -3.07 0.00 0.00 178.15 175.90 3kgl h LEU 318 N 1.11 0.05 -1.98 2.19 3.38 -0.78 0.93 115.31 120.20 3kgl h LEU 318 Ca 0.30 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.50 3kgl h LEU 318 Cb -0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3kgl h LEU 318 CO -0.06 0.01 0.58 -0.09 0.09 0.00 0.00 178.44 178.97 3kgl h ARG 319 N 0.04 0.00 0.04 1.13 2.43 -1.59 -1.01 114.38 115.43 3kgl h ARG 319 Ca 0.46 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.27 3kgl h ARG 319 Cb 1.77 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.28 3kgl h ARG 319 CO -0.03 0.00 -2.07 1.19 -1.51 0.00 0.00 179.97 177.55 3kgl n PHE 320 N -4.16 0.64 0.33 2.20 3.72 0.31 -4.00 117.46 116.49 3kgl n PHE 320 Ca 0.15 0.19 0.20 0.00 -0.05 0.00 0.00 57.45 57.94 3kgl n PHE 320 Cb 0.86 -1.08 1.08 0.00 -0.94 0.00 0.00 39.48 39.41 3kgl n PHE 320 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3kgl h LEU 321 N -0.40 0.00 1.65 4.37 4.07 -1.38 -3.46 115.31 120.16 3kgl h LEU 321 Ca -0.50 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.15 3kgl h LEU 321 Cb 1.75 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.46 3kgl h LEU 321 CO -0.13 0.00 -0.43 0.54 -1.08 0.00 0.00 178.44 177.34 3kgl n ARG 322 N -3.10 -2.92 -4.32 1.13 1.74 -0.40 -4.93 116.66 103.86 3kgl n ARG 322 Ca -0.02 0.57 -0.27 0.00 -0.77 0.00 0.00 57.85 57.35 3kgl n ARG 322 Cb 0.17 -5.23 -0.07 0.00 -1.02 0.00 0.00 32.46 26.31 3kgl n ARG 322 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kgl s LEU 323 N -6.03 2.83 0.20 0.55 1.43 -1.23 -2.04 118.68 114.39 3kgl s LEU 323 Ca 0.18 -1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 51.76 3kgl s LEU 323 Cb -0.09 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 45.03 3kgl s LEU 323 CO 0.22 -0.68 0.74 -0.55 0.23 0.00 0.00 176.35 176.31 3kgl s SER 324 N -3.92 -0.35 0.26 2.29 0.15 -0.74 -3.40 113.70 108.00 3kgl s SER 324 Ca 0.31 -0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 3kgl s SER 324 Cb 0.04 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 3kgl s SER 324 CO 0.17 -1.09 0.27 0.00 1.20 0.00 0.00 173.24 173.78 3kgl s ALA 325 N -3.68 1.07 -0.21 5.45 0.00 -1.23 -2.21 121.76 120.95 3kgl s ALA 325 Ca 0.08 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.21 3kgl s ALA 325 Cb -0.03 1.33 0.06 0.00 0.00 0.00 0.00 23.12 24.47 3kgl s ALA 325 CO -0.01 -0.68 0.55 -1.17 0.00 0.00 0.00 175.76 174.45 3kgl s LEU 326 N -3.20 -0.15 -0.04 0.00 0.20 0.65 -2.43 118.68 113.72 3kgl s LEU 326 Ca 0.36 1.12 0.07 0.00 0.69 0.00 0.00 54.13 56.37 3kgl s LEU 326 Cb 0.04 1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 47.67 3kgl s LEU 326 CO 0.16 -0.19 -0.25 -0.60 -0.29 0.00 0.00 176.35 175.18 3kgl s ARG 327 N 0.41 2.25 -0.06 1.98 6.06 -0.26 0.88 118.95 130.21 3kgl s ARG 327 Ca -0.01 -0.89 0.01 0.00 -2.50 0.00 0.00 55.73 52.34 3kgl s ARG 327 Cb -0.04 -2.04 0.02 0.00 0.06 0.00 0.00 34.95 32.95 3kgl s ARG 327 CO -0.01 0.46 -0.06 0.20 -2.50 0.00 0.00 175.30 173.39 3kgl s GLY 328 N -0.39 0.56 -0.24 8.12 0.00 0.96 0.21 107.32 116.55 3kgl s GLY 328 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.59 3kgl s GLY 328 CO 0.01 0.44 -0.13 -0.56 0.00 0.00 0.00 173.10 172.86 3kgl s SER 329 N 1.00 4.10 0.17 1.64 0.01 -0.82 -0.28 113.70 119.52 3kgl s SER 329 Ca -0.09 -1.20 0.08 0.00 1.31 0.00 0.00 55.95 56.05 3kgl s SER 329 Cb -0.14 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 3kgl s SER 329 CO -0.00 -0.14 -0.18 0.27 0.41 0.00 0.00 173.24 173.60 3kgl s ILE 330 N 1.15 1.80 0.53 1.44 -4.36 0.39 -1.11 121.20 121.05 3kgl s ILE 330 Ca -0.05 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.32 3kgl s ILE 330 Cb -0.18 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.64 3kgl s ILE 330 CO -0.07 -0.36 0.85 -0.13 0.24 0.00 0.00 174.94 175.47 3kgl s ARG 331 N -2.91 3.29 0.26 0.37 0.52 0.67 -0.75 118.95 120.41 3kgl s ARG 331 Ca 0.17 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.24 3kgl s ARG 331 Cb -0.05 -2.32 -0.14 0.00 0.52 0.00 0.00 34.95 32.96 3kgl s ARG 331 CO 0.07 -0.43 1.01 0.94 0.02 0.00 0.00 175.30 176.91 3kgl n GLN 332 N -2.42 1.24 -0.93 3.54 7.27 -0.12 -1.80 117.38 124.16 3kgl n GLN 332 Ca 0.02 0.44 0.00 0.00 0.07 0.00 0.00 57.00 57.53 3kgl n GLN 332 Cb 0.56 -1.81 0.00 0.00 2.41 0.00 0.00 30.24 31.40 3kgl n GLN 332 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3kgl n ASN 333 N 1.43 -3.47 -4.82 1.69 4.13 0.66 -4.92 115.26 109.96 3kgl n ASN 333 Ca 0.11 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.03 3kgl n ASN 333 Cb 0.30 -1.91 -0.06 0.00 -1.54 0.00 0.00 39.78 36.57 3kgl n ASN 333 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kgl s ALA 334 N -1.70 3.22 -0.06 5.41 0.00 -0.74 -2.13 121.76 125.76 3kgl s ALA 334 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.31 3kgl s ALA 334 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3kgl s ALA 334 CO 0.00 0.23 -0.23 1.41 0.00 0.00 0.00 175.76 177.17 3kgl s MET 335 N -2.63 2.40 -0.21 0.00 1.75 0.46 -1.71 119.30 119.36 3kgl s MET 335 Ca 0.54 -0.81 -0.20 0.00 -1.25 0.00 0.00 55.69 53.97 3kgl s MET 335 Cb -0.13 -2.00 -0.03 0.00 2.84 0.00 0.00 34.83 35.51 3kgl s MET 335 CO 0.18 0.31 0.59 0.08 -0.65 0.00 0.00 175.02 175.53 3kgl s VAL 336 N -0.02 5.04 0.45 10.11 1.01 -0.20 -1.88 120.40 134.91 3kgl s VAL 336 Ca -0.06 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 3kgl s VAL 336 Cb -0.14 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 3kgl s VAL 336 CO 0.04 0.11 1.40 -0.76 0.00 0.00 0.00 175.10 175.89 3kgl s LEU 337 N 1.96 4.12 -0.00 3.92 1.43 -0.09 -3.37 118.68 126.64 3kgl s LEU 337 Ca 0.26 2.86 -0.39 0.00 -1.03 0.00 0.00 54.13 55.83 3kgl s LEU 337 Cb -0.16 -3.95 -0.19 0.00 0.03 0.00 0.00 46.19 41.93 3kgl s LEU 337 CO 0.10 -1.14 1.23 -2.65 0.23 0.00 0.00 176.35 174.12 3kgl n PRO 338 N -0.18 0.51 -4.04 1.29 -0.02 -1.25 -4.81 135.00 126.50 3kgl n PRO 338 Ca 0.05 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 3kgl n PRO 338 Cb 0.42 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3kgl n PRO 338 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3kgl s GLN 339 N 0.49 1.32 0.02 -0.52 -2.07 0.03 -1.15 119.66 117.77 3kgl s GLN 339 Ca 0.89 -1.33 -0.06 0.00 -1.82 0.00 0.00 55.36 53.04 3kgl s GLN 339 Cb -1.15 0.38 -0.00 0.00 -1.09 0.00 0.00 33.01 31.15 3kgl s GLN 339 CO 0.54 -0.50 0.12 1.67 -1.32 0.00 0.00 175.29 175.81 3kgl s TRP 340 N -4.04 0.10 -0.36 9.60 -2.14 0.39 -0.30 118.94 122.19 3kgl s TRP 340 Ca 0.25 -0.27 -0.24 0.00 2.66 0.00 0.00 56.10 58.51 3kgl s TRP 340 Cb 0.03 -0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.33 3kgl s TRP 340 CO 0.07 -0.31 0.81 -0.80 -2.66 0.00 0.00 176.95 174.06 3kgl s ASN 341 N -1.63 6.60 0.13 -2.66 0.01 -1.26 -0.99 114.94 115.14 3kgl s ASN 341 Ca -0.12 0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 52.32 3kgl s ASN 341 Cb -0.06 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 3kgl s ASN 341 CO -0.00 -0.74 1.66 0.00 -1.51 0.00 0.00 177.10 176.50 3kgl h ALA 342 N 8.42 0.49 0.00 0.60 0.00 -0.84 -2.58 119.26 125.36 3kgl h ALA 342 Ca -0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3kgl h ALA 342 Cb 1.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3kgl h ALA 342 CO 0.92 0.12 -0.32 0.27 0.00 0.00 0.00 179.25 180.24 3kgl n ASN 343 N -4.64 1.64 -3.68 0.00 6.94 -1.26 -4.69 115.26 109.56 3kgl n ASN 343 Ca -0.01 -3.01 -0.14 0.00 -0.02 0.00 0.00 54.58 51.40 3kgl n ASN 343 Cb 0.16 -0.40 -0.08 0.00 -2.36 0.00 0.00 39.78 37.09 3kgl n ASN 343 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kgl s ALA 344 N -2.20 -1.22 0.18 -2.53 0.00 -1.26 -4.60 121.76 110.14 3kgl s ALA 344 Ca 0.28 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 3kgl s ALA 344 Cb 0.27 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 3kgl s ALA 344 CO -0.02 -0.27 0.99 -0.80 0.00 0.00 0.00 175.76 175.66 3kgl s ASN 345 N -0.44 7.50 0.27 0.00 0.01 -1.26 -3.43 114.94 117.60 3kgl s ASN 345 Ca -0.06 1.93 0.09 0.00 -0.71 0.00 0.00 52.86 54.11 3kgl s ASN 345 Cb -0.03 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 3kgl s ASN 345 CO 0.03 -0.02 0.08 0.00 -1.51 0.00 0.00 177.10 175.68 3kgl s ALA 346 N -0.53 3.34 -0.03 0.60 0.00 -0.65 -0.75 121.76 123.73 3kgl s ALA 346 Ca 0.45 -1.61 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 3kgl s ALA 346 Cb -0.26 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 21.96 3kgl s ALA 346 CO 0.32 0.23 0.01 0.08 0.00 0.00 0.00 175.76 176.40 3kgl s VAL 347 N -2.28 0.14 -0.21 0.00 1.01 -0.02 -1.25 120.40 117.79 3kgl s VAL 347 Ca 0.33 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3kgl s VAL 347 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 3kgl s VAL 347 CO 0.22 0.16 -0.07 -0.22 0.00 0.00 0.00 175.10 175.19 3kgl s LEU 348 N 1.28 2.81 -0.10 3.92 0.20 -0.00 -1.13 118.68 125.65 3kgl s LEU 348 Ca -0.06 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 3kgl s LEU 348 Cb -0.13 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 3kgl s LEU 348 CO -0.02 0.01 -0.05 -0.47 -0.29 0.00 0.00 176.35 175.52 3kgl s TYR 349 N 1.32 2.99 -0.32 5.38 5.04 0.31 -1.75 117.35 130.32 3kgl s TYR 349 Ca 0.04 -0.09 -0.12 0.00 -2.44 0.00 0.00 57.07 54.45 3kgl s TYR 349 Cb -0.14 -1.81 -0.03 0.00 0.35 0.00 0.00 41.96 40.33 3kgl s TYR 349 CO -0.03 0.21 0.24 0.08 -1.34 0.00 0.00 175.55 174.70 3kgl s VAL 350 N -0.38 5.28 -0.10 3.14 1.01 -1.05 -1.58 120.40 126.73 3kgl s VAL 350 Ca 0.06 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 3kgl s VAL 350 Cb -0.12 -3.67 -0.28 0.00 0.00 0.00 0.00 36.38 32.31 3kgl s VAL 350 CO 0.02 0.06 0.53 0.71 0.00 0.00 0.00 175.10 176.43 3kgl h THR 351 N 5.46 0.91 -2.99 3.92 1.35 -1.31 -1.42 112.91 118.83 3kgl h THR 351 Ca -0.32 -2.41 -0.19 0.00 -0.55 0.00 0.00 66.41 62.94 3kgl h THR 351 Cb 1.17 2.66 -0.29 0.00 -1.73 0.00 0.00 68.15 69.95 3kgl h THR 351 CO 0.61 0.77 -0.46 -1.81 -0.25 0.00 0.00 175.52 174.38 3kgl s ASP 352 N -7.10 -0.29 0.00 5.36 1.01 -0.76 -4.74 116.67 110.15 3kgl s ASP 352 Ca -0.20 0.56 0.00 0.00 0.71 0.00 0.00 52.55 53.62 3kgl s ASP 352 Cb 0.05 0.45 0.00 0.00 1.01 0.00 0.00 42.92 44.43 3kgl s ASP 352 CO 0.78 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.61 3kgl n GLY 353 N 4.21 -2.63 3.19 0.21 0.00 -1.25 0.76 105.19 109.69 3kgl n GLY 353 Ca -0.25 -1.81 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 3kgl n GLY 353 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgl s GLU 354 N -0.48 0.88 0.18 1.61 1.03 -1.26 -2.51 118.70 118.14 3kgl s GLU 354 Ca 0.00 -1.00 -0.05 0.00 0.03 0.00 0.00 54.97 53.95 3kgl s GLU 354 Cb 0.00 -0.92 -0.03 0.00 -0.80 0.00 0.00 34.13 32.38 3kgl s GLU 354 CO 0.00 0.21 0.19 0.00 -1.33 0.00 0.00 175.26 174.33 3kgl s ALA 355 N -1.30 0.59 -0.27 -0.84 0.00 -0.97 -1.79 121.76 117.17 3kgl s ALA 355 Ca -0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.58 3kgl s ALA 355 Cb -0.10 1.05 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 3kgl s ALA 355 CO 0.03 -0.61 0.08 -1.58 0.00 0.00 0.00 175.76 173.68 3kgl s HIS 356 N -4.06 3.11 0.26 0.00 2.46 0.16 -0.86 115.29 116.37 3kgl s HIS 356 Ca 0.27 -0.63 0.10 0.00 0.47 0.00 0.00 55.06 55.26 3kgl s HIS 356 Cb 0.05 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.20 3kgl s HIS 356 CO 0.05 -0.45 -0.02 0.14 -2.47 0.00 0.00 174.74 172.00 3kgl s VAL 357 N 1.58 3.41 -0.04 0.89 -7.23 -0.68 -0.15 120.40 118.17 3kgl s VAL 357 Ca 0.05 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 3kgl s VAL 357 Cb -0.16 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.98 3kgl s VAL 357 CO 0.03 -0.37 -0.08 -1.10 -0.31 0.00 0.00 175.10 173.28 3kgl s GLN 358 N -3.64 1.10 0.04 4.82 -0.21 -0.15 -2.24 119.66 119.38 3kgl s GLN 358 Ca 0.31 -0.25 0.08 0.00 0.02 0.00 0.00 55.36 55.52 3kgl s GLN 358 Cb -0.06 -1.00 -0.03 0.00 1.00 0.00 0.00 33.01 32.92 3kgl s GLN 358 CO 0.20 0.01 -0.23 0.08 -2.12 0.00 0.00 175.29 173.22 3kgl s VAL 359 N 0.60 2.36 -0.07 1.09 1.01 -0.26 -1.92 120.40 123.21 3kgl s VAL 359 Ca -0.10 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.64 3kgl s VAL 359 Cb -0.13 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 3kgl s VAL 359 CO 0.01 0.38 -0.21 -0.69 0.00 0.00 0.00 175.10 174.60 3kgl s VAL 360 N -0.83 1.75 1.30 2.92 1.01 -0.21 -1.33 120.40 125.01 3kgl s VAL 360 Ca 0.12 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 3kgl s VAL 360 Cb -0.10 -1.50 0.32 0.00 0.00 0.00 0.00 36.38 35.10 3kgl s VAL 360 CO 0.03 0.49 1.04 0.21 0.00 0.00 0.00 175.10 176.87 3kgl s ASN 361 N 0.16 0.04 0.29 3.32 3.04 0.41 -2.71 114.94 119.48 3kgl s ASN 361 Ca -0.10 0.70 0.19 0.00 0.04 0.00 0.00 52.86 53.70 3kgl s ASN 361 Cb -0.15 -0.97 0.11 0.00 -1.54 0.00 0.00 41.25 38.71 3kgl s ASN 361 CO 0.05 -4.67 1.34 -2.24 -3.04 0.00 0.00 177.10 168.53 3kgl h ASP 362 N -2.95 0.00 0.97 -4.21 2.03 -1.91 -3.18 116.42 107.17 3kgl h ASP 362 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3kgl h ASP 362 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 3kgl h ASP 362 CO 0.31 0.26 0.00 -1.13 -1.03 0.00 0.00 179.24 177.65 3kgl h ASN 363 N 0.00 0.00 0.00 4.15 -1.24 -1.96 -3.46 115.58 113.07 3kgl h ASN 363 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3kgl h ASN 363 Cb 1.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.27 3kgl h ASN 363 CO 0.03 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 3kgl n GLY 364 N 0.33 0.71 3.72 1.57 0.00 -1.20 -5.05 105.19 105.27 3kgl n GLY 364 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3kgl n GLY 364 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgl s ASP 365 N -2.74 4.11 -0.52 1.61 1.01 -1.26 -4.69 116.67 114.18 3kgl s ASP 365 Ca 0.00 2.21 -0.22 0.00 0.71 0.00 0.00 52.55 55.25 3kgl s ASP 365 Cb 0.00 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.40 3kgl s ASP 365 CO 0.00 -2.31 0.81 -0.60 0.21 0.00 0.00 175.17 173.28 3kgl s ARG 366 N -4.19 3.27 0.00 8.23 3.52 -1.26 -0.44 118.95 128.07 3kgl s ARG 366 Ca 0.70 -0.44 0.29 0.00 -0.13 0.00 0.00 55.73 56.15 3kgl s ARG 366 Cb -0.25 -4.05 1.23 0.00 -1.56 0.00 0.00 34.95 30.32 3kgl s ARG 366 CO 0.48 -1.34 1.86 1.33 -0.81 0.00 0.00 175.30 176.82 3kgl n VAL 367 N 6.00 0.00 -3.61 7.11 0.24 -0.44 -4.85 118.33 122.78 3kgl n VAL 367 Ca -0.01 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 3kgl n VAL 367 Cb 0.47 -0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.70 3kgl n VAL 367 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3kgl s PHE 368 N -2.45 -0.61 -0.41 6.34 5.36 -1.17 0.13 117.98 125.17 3kgl s PHE 368 Ca 0.30 1.39 0.04 0.00 -0.96 0.00 0.00 56.93 57.69 3kgl s PHE 368 Cb 0.20 0.34 0.18 0.00 -0.34 0.00 0.00 43.02 43.41 3kgl s PHE 368 CO 0.47 -0.36 0.75 0.34 -1.46 0.00 0.00 175.22 174.96 3kgl s ASP 369 N -0.08 -1.24 0.00 6.13 2.15 -1.26 -1.10 116.67 121.27 3kgl s ASP 369 Ca -0.01 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.17 3kgl s ASP 369 Cb -0.04 1.60 0.00 0.00 -0.30 0.00 0.00 42.92 44.18 3kgl s ASP 369 CO -0.00 -0.12 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 3kgl n GLY 370 N 3.95 -1.44 3.84 2.66 0.00 -0.95 -5.04 105.19 108.22 3kgl n GLY 370 Ca 0.11 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3kgl n GLY 370 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kgl s GLN 371 N -1.19 4.09 -0.12 1.61 2.00 -1.26 -1.69 119.66 123.10 3kgl s GLN 371 Ca 0.00 0.88 -0.02 0.00 -2.00 0.00 0.00 55.36 54.22 3kgl s GLN 371 Cb 0.00 -2.30 0.04 0.00 0.80 0.00 0.00 33.01 31.55 3kgl s GLN 371 CO 0.00 0.04 0.00 0.54 -0.50 0.00 0.00 175.29 175.37 3kgl s VAL 372 N -2.12 0.53 0.44 1.34 0.11 -0.04 -4.87 120.40 115.79 3kgl s VAL 372 Ca 0.58 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 59.50 3kgl s VAL 372 Cb -0.10 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 33.91 3kgl s VAL 372 CO 0.17 0.11 0.03 -0.94 -3.33 0.00 0.00 175.10 171.14 3kgl s SER 373 N 1.89 4.01 0.43 3.54 1.04 -1.26 -2.29 113.70 121.05 3kgl s SER 373 Ca 0.03 -1.43 -0.21 0.00 0.48 0.00 0.00 55.95 54.82 3kgl s SER 373 Cb -0.14 -0.12 -0.14 0.00 0.10 0.00 0.00 66.02 65.72 3kgl s SER 373 CO -0.07 -0.59 0.32 1.67 0.98 0.00 0.00 173.24 175.56 3kgl n GLN 374 N -1.09 0.30 -0.88 4.02 7.27 -1.04 -2.10 117.38 123.86 3kgl n GLN 374 Ca -0.09 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3kgl n GLN 374 Cb 0.67 -1.29 0.00 0.00 2.41 0.00 0.00 30.24 32.02 3kgl n GLN 374 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgl n GLY 375 N 2.05 0.48 3.90 1.69 0.00 -0.54 -4.97 105.19 107.80 3kgl n GLY 375 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3kgl n GLY 375 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgl s GLN 376 N -0.56 3.27 0.04 1.61 -0.21 -0.89 -4.81 119.66 118.10 3kgl s GLN 376 Ca 0.00 -0.67 0.09 0.00 0.02 0.00 0.00 55.36 54.80 3kgl s GLN 376 Cb 0.00 -2.87 -0.03 0.00 1.00 0.00 0.00 33.01 31.11 3kgl s GLN 376 CO 0.00 0.52 -0.25 -1.17 -2.12 0.00 0.00 175.29 172.27 3kgl s LEU 377 N -3.12 2.16 -0.12 2.90 2.96 -0.41 -2.52 118.68 120.54 3kgl s LEU 377 Ca 0.33 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3kgl s LEU 377 Cb -0.11 -1.23 0.06 0.00 0.50 0.00 0.00 46.19 45.41 3kgl s LEU 377 CO 0.27 0.24 0.24 -0.22 -1.32 0.00 0.00 176.35 175.56 3kgl s LEU 378 N -1.19 -0.15 -0.09 -0.68 2.96 -0.72 0.89 118.68 119.71 3kgl s LEU 378 Ca 0.11 0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 54.38 3kgl s LEU 378 Cb -0.10 0.61 -0.05 0.00 0.50 0.00 0.00 46.19 47.16 3kgl s LEU 378 CO 0.02 -0.23 0.42 -0.94 -1.32 0.00 0.00 176.35 174.30 3kgl s SER 379 N 2.22 6.68 -0.49 3.68 1.04 -1.26 -0.82 113.70 124.75 3kgl s SER 379 Ca 0.00 0.81 0.04 0.00 0.48 0.00 0.00 55.95 57.28 3kgl s SER 379 Cb -0.12 -2.26 0.12 0.00 0.10 0.00 0.00 66.02 63.87 3kgl s SER 379 CO -0.08 0.12 0.22 -0.63 0.98 0.00 0.00 173.24 173.86 3kgl s ILE 380 N 0.05 2.53 0.62 -1.02 1.01 -0.38 -4.99 121.20 119.03 3kgl s ILE 380 Ca 0.23 -3.16 -0.18 0.00 0.00 0.00 0.00 60.65 57.55 3kgl s ILE 380 Cb -0.15 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3kgl s ILE 380 CO 0.10 -0.76 1.19 -2.84 0.00 0.00 0.00 174.94 172.63 3kgl s PRO 381 N -0.09 2.85 -0.37 2.79 0.02 -1.26 -1.64 135.00 137.30 3kgl s PRO 381 Ca 0.16 1.75 -0.42 0.00 0.02 0.00 0.00 61.00 62.51 3kgl s PRO 381 Cb -0.25 -1.92 -0.18 0.00 0.02 0.00 0.00 34.50 32.17 3kgl s PRO 381 CO -0.01 -1.28 1.38 0.94 -0.33 0.00 0.00 177.00 177.69 3kgl n GLN 382 N -1.84 0.00 0.00 5.54 7.27 -1.22 -0.82 117.38 126.31 3kgl n GLN 382 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 3kgl n GLN 382 Cb 0.50 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.77 3kgl n GLN 382 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgl n GLY 383 N 3.25 3.00 3.77 1.69 0.00 -0.97 -5.01 105.19 110.92 3kgl n GLY 383 Ca 0.27 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3kgl n GLY 383 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kgl s PHE 384 N -2.30 2.51 -0.15 1.61 0.40 0.00 -4.80 117.98 115.26 3kgl s PHE 384 Ca 0.00 1.22 -0.07 0.00 -0.60 0.00 0.00 56.93 57.48 3kgl s PHE 384 Cb 0.00 -3.97 -0.04 0.00 0.51 0.00 0.00 43.02 39.52 3kgl s PHE 384 CO 0.00 -2.96 0.09 -1.12 0.70 0.00 0.00 175.22 171.93 3kgl s SER 385 N -0.35 5.94 0.06 1.36 0.01 -1.10 -4.21 113.70 115.41 3kgl s SER 385 Ca 0.57 0.26 0.07 0.00 1.31 0.00 0.00 55.95 58.17 3kgl s SER 385 Cb -0.45 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 3kgl s SER 385 CO 0.59 0.30 -0.20 -0.69 0.41 0.00 0.00 173.24 173.65 3kgl s VAL 386 N -0.36 1.65 0.02 3.43 1.01 0.58 -1.04 120.40 125.70 3kgl s VAL 386 Ca 0.10 -1.26 0.05 0.00 0.00 0.00 0.00 61.98 60.87 3kgl s VAL 386 Cb -0.12 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3kgl s VAL 386 CO 0.01 0.14 -0.16 0.54 0.00 0.00 0.00 175.10 175.64 3kgl s VAL 387 N -0.88 1.23 -0.02 2.92 0.11 -0.81 -0.79 120.40 122.17 3kgl s VAL 387 Ca 0.07 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 3kgl s VAL 387 Cb -0.09 -1.08 0.03 0.00 -1.53 0.00 0.00 36.38 33.71 3kgl s VAL 387 CO 0.02 0.15 0.02 -0.54 -3.33 0.00 0.00 175.10 171.43 3kgl s LYS 388 N -0.88 -0.01 -0.05 1.54 1.02 -1.22 -0.98 119.74 119.17 3kgl s LYS 388 Ca 0.04 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.24 3kgl s LYS 388 Cb -0.07 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 36.99 3kgl s LYS 388 CO 0.01 -0.15 -0.22 0.50 -0.92 0.00 0.00 175.35 174.57 3kgl s ARG 389 N 0.94 2.19 -0.10 1.68 3.52 0.79 -1.03 118.95 126.93 3kgl s ARG 389 Ca -0.08 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.44 3kgl s ARG 389 Cb -0.11 -1.89 -0.01 0.00 -1.56 0.00 0.00 34.95 31.37 3kgl s ARG 389 CO -0.03 0.34 1.03 0.00 -0.81 0.00 0.00 175.30 175.84 3kgl s ALA 390 N -0.12 3.41 -0.05 6.12 0.00 -0.69 0.39 121.76 130.82 3kgl s ALA 390 Ca -0.02 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3kgl s ALA 390 Cb -0.12 -3.45 -0.26 0.00 0.00 0.00 0.00 23.12 19.29 3kgl s ALA 390 CO 0.03 -0.62 0.64 1.15 0.00 0.00 0.00 175.76 176.96 3kgl h THR 391 N 5.08 0.89 -1.80 0.00 2.02 -1.67 0.19 112.91 117.63 3kgl h THR 391 Ca -0.31 -2.63 -0.44 0.00 0.77 0.00 0.00 66.41 63.80 3kgl h THR 391 Cb 1.15 2.57 0.01 0.00 -1.74 0.00 0.00 68.15 70.15 3kgl h THR 391 CO 0.86 0.75 -0.29 -0.94 0.37 0.00 0.00 175.52 176.26 3kgl s SER 392 N -6.72 5.86 0.14 4.18 1.04 -1.04 -4.83 113.70 112.32 3kgl s SER 392 Ca -0.12 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.86 3kgl s SER 392 Cb 0.07 -1.09 -0.01 0.00 0.10 0.00 0.00 66.02 65.09 3kgl s SER 392 CO 0.82 -0.56 1.62 -0.08 0.98 0.00 0.00 173.24 176.02 3kgl h GLU 393 N 0.76 -0.33 -5.50 4.02 4.81 -1.92 -3.04 114.58 113.38 3kgl h GLU 393 Ca -0.44 0.02 -0.66 0.00 -0.13 0.00 0.00 59.36 58.15 3kgl h GLU 393 Cb 1.26 0.08 -0.25 0.00 0.63 0.00 0.00 28.75 30.47 3kgl h GLU 393 CO 0.51 -0.22 -0.74 -1.14 -0.73 0.00 0.00 179.01 176.69 3kgl s GLN 394 N -6.03 3.30 -0.16 1.92 2.00 -1.26 -0.94 119.66 118.48 3kgl s GLN 394 Ca -0.15 -0.64 0.00 0.00 -2.00 0.00 0.00 55.36 52.57 3kgl s GLN 394 Cb 0.11 -2.66 0.03 0.00 0.80 0.00 0.00 33.01 31.29 3kgl s GLN 394 CO 0.67 0.30 -0.13 0.12 -0.50 0.00 0.00 175.29 175.75 3kgl s PHE 395 N 0.13 2.20 -0.02 1.67 5.36 0.08 -3.89 117.98 123.51 3kgl s PHE 395 Ca -0.05 -1.28 0.04 0.00 -0.96 0.00 0.00 56.93 54.68 3kgl s PHE 395 Cb -0.15 -1.60 -0.01 0.00 -0.34 0.00 0.00 43.02 40.93 3kgl s PHE 395 CO 0.04 -0.68 -0.13 1.03 -1.46 0.00 0.00 175.22 174.02 3kgl s ARG 396 N 1.47 1.14 0.01 10.12 0.52 0.23 -0.46 118.95 131.98 3kgl s ARG 396 Ca 0.04 -0.45 -0.19 0.00 -0.52 0.00 0.00 55.73 54.61 3kgl s ARG 396 Cb -0.13 -1.07 0.04 0.00 0.52 0.00 0.00 34.95 34.30 3kgl s ARG 396 CO -0.10 0.24 0.42 1.67 0.02 0.00 0.00 175.30 177.55 3kgl s TRP 397 N -0.14 -0.30 -0.06 -0.53 -2.14 0.61 -0.78 118.94 115.60 3kgl s TRP 397 Ca 0.02 0.39 0.02 0.00 2.66 0.00 0.00 56.10 59.19 3kgl s TRP 397 Cb -0.07 0.21 -0.03 0.00 -3.10 0.00 0.00 33.47 30.48 3kgl s TRP 397 CO 0.00 -0.52 -0.10 -1.50 -2.66 0.00 0.00 176.95 172.18 3kgl s ILE 398 N -1.88 3.47 -0.03 0.66 -1.16 -0.62 -0.03 121.20 121.62 3kgl s ILE 398 Ca -0.09 -0.57 0.05 0.00 -0.51 0.00 0.00 60.65 59.53 3kgl s ILE 398 Cb -0.02 -2.40 -0.03 0.00 0.61 0.00 0.00 42.46 40.62 3kgl s ILE 398 CO 0.02 0.60 -0.16 -1.61 -2.81 0.00 0.00 174.94 170.97 3kgl s GLU 399 N -0.78 2.39 -0.15 3.50 2.02 0.25 -0.53 118.70 125.40 3kgl s GLU 399 Ca 0.12 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.32 3kgl s GLU 399 Cb -0.11 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 3kgl s GLU 399 CO 0.01 0.60 -0.07 -0.06 0.02 0.00 0.00 175.26 175.76 3kgl s PHE 400 N -0.75 2.95 0.00 1.61 0.08 -0.28 -0.25 117.98 121.34 3kgl s PHE 400 Ca 0.12 -0.46 0.08 0.00 0.12 0.00 0.00 56.93 56.79 3kgl s PHE 400 Cb -0.11 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3kgl s PHE 400 CO 0.01 -0.13 -0.24 0.15 -0.10 0.00 0.00 175.22 174.91 3kgl s LYS 401 N 0.44 1.87 -0.43 0.44 1.02 -0.94 -0.85 119.74 121.29 3kgl s LYS 401 Ca -0.06 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 3kgl s LYS 401 Cb -0.15 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 3kgl s LYS 401 CO 0.04 0.51 3.05 0.25 -0.92 0.00 0.00 175.35 178.27 3kgl n THR 402 N 2.25 3.42 -3.66 2.17 -2.24 0.07 -1.78 114.28 114.51 3kgl n THR 402 Ca -0.16 -2.56 -0.06 0.00 -2.27 0.00 0.00 64.05 58.99 3kgl n THR 402 Cb 0.52 -1.83 -0.07 0.00 -2.10 0.00 0.00 70.33 66.85 3kgl n THR 402 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kgl s ASN 403 N 1.02 -0.79 0.55 3.42 3.84 -0.86 -4.65 114.94 117.47 3kgl s ASN 403 Ca 0.62 1.31 0.32 0.00 0.21 0.00 0.00 52.86 55.32 3kgl s ASN 403 Cb 0.33 1.53 1.48 0.00 -0.55 0.00 0.00 41.25 44.05 3kgl s ASN 403 CO -0.13 -0.22 1.86 0.00 -2.79 0.00 0.00 177.10 175.82 3kgl h ALA 404 N 7.54 2.80 -2.82 1.71 0.00 -1.52 -3.13 119.26 123.85 3kgl h ALA 404 Ca -0.25 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 3kgl h ALA 404 Cb 1.16 0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 3kgl h ALA 404 CO 0.16 -1.14 -0.78 1.21 0.00 0.00 0.00 179.25 178.70 3kgl s ASN 405 N -5.40 3.56 0.36 0.00 3.84 -1.26 -1.68 114.94 114.36 3kgl s ASN 405 Ca -0.05 -1.42 -0.24 0.00 0.21 0.00 0.00 52.86 51.36 3kgl s ASN 405 Cb 0.21 -0.43 -0.10 0.00 -0.55 0.00 0.00 41.25 40.38 3kgl s ASN 405 CO 0.73 -0.43 0.95 0.00 -2.79 0.00 0.00 177.10 175.57 3kgl s ALA 406 N 1.94 3.15 -0.10 1.71 0.00 -1.18 -5.00 121.76 122.28 3kgl s ALA 406 Ca 0.10 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 3kgl s ALA 406 Cb -0.17 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3kgl s ALA 406 CO -0.32 0.15 -0.06 -1.14 0.00 0.00 0.00 175.76 174.39 3kgl s GLN 407 N -2.43 3.11 -0.08 0.00 2.00 -1.26 -5.02 119.66 115.97 3kgl s GLN 407 Ca 0.54 -0.54 0.03 0.00 -2.00 0.00 0.00 55.36 53.39 3kgl s GLN 407 Cb -0.16 -2.71 -0.02 0.00 0.80 0.00 0.00 33.01 30.93 3kgl s GLN 407 CO 0.20 0.50 -0.16 0.42 -0.50 0.00 0.00 175.29 175.75 3kgl s ILE 408 N -0.35 2.82 -0.02 -2.34 1.01 -1.26 -0.08 121.20 120.97 3kgl s ILE 408 Ca 0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.97 3kgl s ILE 408 Cb -0.12 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3kgl s ILE 408 CO 0.02 0.56 -0.16 0.20 0.00 0.00 0.00 174.94 175.56 3kgl s ASN 409 N -0.18 3.87 0.16 3.58 -0.87 -0.16 -4.90 114.94 116.44 3kgl s ASN 409 Ca -0.01 -0.29 0.04 0.00 -1.57 0.00 0.00 52.86 51.03 3kgl s ASN 409 Cb -0.13 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.25 40.33 3kgl s ASN 409 CO 0.03 0.32 0.23 0.42 -2.57 0.00 0.00 177.10 175.53 3kgl s THR 410 N -0.78 4.99 -2.48 1.60 -4.23 -1.26 -0.46 115.64 113.01 3kgl s THR 410 Ca 0.12 -0.86 0.22 0.00 -1.18 0.00 0.00 61.69 60.00 3kgl s THR 410 Cb -0.11 -3.57 0.35 0.00 1.34 0.00 0.00 72.50 70.52 3kgl s THR 410 CO 0.02 -0.11 1.34 0.18 -0.54 0.00 0.00 174.62 175.51 3kgl n LEU 411 N -0.50 3.29 -3.79 4.79 4.77 -0.30 -1.78 117.00 123.48 3kgl n LEU 411 Ca -0.08 -1.39 -0.12 0.00 -0.03 0.00 0.00 56.01 54.40 3kgl n LEU 411 Cb 0.54 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3kgl n LEU 411 CO 0.46 0.68 -0.02 0.00 -1.33 0.00 0.00 177.39 177.18 3kgl s ALA 412 N -1.55 -0.59 0.00 -1.18 0.00 -1.26 -4.63 121.76 112.55 3kgl s ALA 412 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.30 3kgl s ALA 412 Cb 0.21 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.57 3kgl s ALA 412 CO 0.30 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3kgl n GLY 413 N 0.84 -1.81 0.27 0.00 0.00 -1.26 -4.34 105.19 98.89 3kgl n GLY 413 Ca -0.20 -1.83 0.18 0.00 0.00 0.00 0.00 46.02 44.18 3kgl n GLY 413 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kgl h ARG 414 N 0.00 0.00 0.00 1.61 3.08 -1.62 -2.98 114.38 114.47 3kgl h ARG 414 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3kgl h ARG 414 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 3kgl h ARG 414 CO 0.00 0.00 -0.48 0.25 -1.07 0.00 0.00 179.97 178.67 3kgl n THR 415 N -2.89 1.41 -2.19 2.04 -2.24 -1.26 -4.98 114.28 104.17 3kgl n THR 415 Ca -0.01 -2.14 -0.32 0.00 -2.27 0.00 0.00 64.05 59.31 3kgl n THR 415 Cb 0.17 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 3kgl n THR 415 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kgl s SER 416 N -2.62 6.39 0.40 3.42 1.04 -1.13 -4.33 113.70 116.89 3kgl s SER 416 Ca 0.31 1.55 0.08 0.00 0.48 0.00 0.00 55.95 58.37 3kgl s SER 416 Cb 0.30 -2.50 0.84 0.00 0.10 0.00 0.00 66.02 64.77 3kgl s SER 416 CO -0.06 -0.75 2.01 1.62 0.98 0.00 0.00 173.24 177.04 3kgl h VAL 417 N 0.48 1.12 -0.33 5.02 3.04 -1.64 -2.47 116.25 121.48 3kgl h VAL 417 Ca -0.46 -0.40 -0.05 0.00 -1.01 0.00 0.00 66.70 64.79 3kgl h VAL 417 Cb 1.19 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 3kgl h VAL 417 CO 0.61 0.15 0.03 -0.07 -1.01 0.00 0.00 177.57 177.28 3kgl h LEU 418 N 0.42 0.55 -1.93 3.16 4.07 -1.83 -2.74 115.31 117.01 3kgl h LEU 418 Ca 0.10 -0.28 0.18 0.00 0.08 0.00 0.00 57.88 57.97 3kgl h LEU 418 Cb 0.11 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 3kgl h LEU 418 CO -0.01 0.69 0.57 -0.09 -1.08 0.00 0.00 178.44 178.52 3kgl h ARG 419 N 0.38 0.00 0.00 1.13 9.65 -1.70 0.17 114.38 124.02 3kgl h ARG 419 Ca 0.10 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3kgl h ARG 419 Cb 0.39 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3kgl h ARG 419 CO 0.01 0.00 -0.62 0.41 2.80 0.00 0.00 179.97 182.57 3kgl n GLY 420 N -1.59 -1.21 3.80 2.80 0.00 -1.05 -4.85 105.19 103.09 3kgl n GLY 420 Ca 0.13 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3kgl n GLY 420 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgl s LEU 421 N -3.08 4.02 0.19 0.99 1.02 0.61 -5.05 118.68 117.38 3kgl s LEU 421 Ca 0.10 1.85 -0.28 0.00 0.02 0.00 0.00 54.13 55.82 3kgl s LEU 421 Cb 0.17 -4.39 -0.08 0.00 0.02 0.00 0.00 46.19 41.91 3kgl s LEU 421 CO 0.74 -0.46 0.89 -2.84 0.02 0.00 0.00 176.35 174.70 3kgl s PRO 422 N -2.88 4.73 0.20 1.29 0.02 -1.26 -4.95 135.00 132.14 3kgl s PRO 422 Ca 0.61 1.37 -0.09 0.00 0.02 0.00 0.00 61.00 62.91 3kgl s PRO 422 Cb -0.15 -3.29 0.29 0.00 0.02 0.00 0.00 34.50 31.36 3kgl s PRO 422 CO 0.20 0.48 1.16 1.28 -0.33 0.00 0.00 177.00 179.79 3kgl n LEU 423 N 1.78 -0.35 0.26 -5.54 4.77 -1.26 -0.44 117.00 116.22 3kgl n LEU 423 Ca -0.02 1.29 0.08 0.00 -0.03 0.00 0.00 56.01 57.33 3kgl n LEU 423 Cb 0.48 -0.36 0.63 0.00 -2.33 0.00 0.00 43.42 41.84 3kgl n LEU 423 CO 0.49 -1.21 1.05 -0.33 -1.33 0.00 0.00 177.39 176.06 3kgl h GLU 424 N 0.00 0.00 -0.00 3.23 3.07 -1.99 0.70 114.58 119.59 3kgl h GLU 424 Ca 0.32 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3kgl h GLU 424 Cb 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3kgl h GLU 424 CO -0.76 0.02 0.00 0.28 -1.40 0.00 0.00 179.01 177.15 3kgl h VAL 425 N 0.00 1.21 0.44 3.13 2.07 -1.14 -2.68 116.25 119.27 3kgl h VAL 425 Ca -0.00 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3kgl h VAL 425 Cb 0.04 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kgl h VAL 425 CO 0.00 0.16 -0.25 0.40 0.02 0.00 0.00 177.57 177.91 3kgl h ILE 426 N -0.26 0.49 0.02 4.57 2.04 -0.76 0.78 117.51 124.39 3kgl h ILE 426 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3kgl h ILE 426 Cb 0.26 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3kgl h ILE 426 CO 0.00 0.00 -0.13 0.77 0.00 0.00 0.00 178.15 178.79 3kgl h SER 427 N -0.64 -0.37 -0.87 1.72 4.64 -1.16 0.51 113.55 117.37 3kgl h SER 427 Ca -0.05 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3kgl h SER 427 Cb 0.51 0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 3kgl h SER 427 CO 0.07 -0.19 0.46 0.78 -0.87 0.00 0.00 176.83 177.08 3kgl h ASN 428 N -0.23 1.10 0.17 4.97 2.35 -1.42 0.29 115.58 122.82 3kgl h ASN 428 Ca 0.04 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3kgl h ASN 428 Cb 0.28 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3kgl h ASN 428 CO -0.11 0.90 -0.24 1.23 -1.65 0.00 0.00 177.43 177.55 3kgl h GLY 429 N 1.23 -0.49 -0.25 2.83 0.00 0.14 -3.20 103.07 103.32 3kgl h GLY 429 Ca 0.30 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3kgl h GLY 429 CO -0.05 -0.22 -0.45 -1.72 0.00 0.00 0.00 176.54 174.10 3kgl n TYR 430 N -5.36 0.00 -3.06 5.60 4.01 0.10 -4.96 117.16 113.48 3kgl n TYR 430 Ca -0.07 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.65 3kgl n TYR 430 Cb 0.27 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3kgl n TYR 430 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kgl n GLN 431 N -0.54 -1.45 -4.01 -0.72 6.02 0.93 -5.06 117.38 112.53 3kgl n GLN 431 Ca 0.09 1.55 -0.10 0.00 -0.01 0.00 0.00 57.00 58.54 3kgl n GLN 431 Cb 0.40 -5.64 -0.07 0.00 1.02 0.00 0.00 30.24 25.94 3kgl n GLN 431 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3kgl s ILE 432 N -2.95 0.04 0.57 5.09 -4.36 -0.52 -5.04 121.20 114.03 3kgl s ILE 432 Ca 0.03 -1.50 -0.16 0.00 -0.26 0.00 0.00 60.65 58.77 3kgl s ILE 432 Cb -0.01 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 3kgl s ILE 432 CO 0.76 -0.18 1.04 -0.94 0.24 0.00 0.00 174.94 175.85 3kgl s SER 433 N -3.01 6.03 0.50 4.36 1.04 -1.26 -4.52 113.70 116.84 3kgl s SER 433 Ca 0.22 1.73 0.32 0.00 0.48 0.00 0.00 55.95 58.70 3kgl s SER 433 Cb 0.03 -2.52 1.77 0.00 0.10 0.00 0.00 66.02 65.39 3kgl s SER 433 CO 0.04 -1.00 1.99 -0.07 0.98 0.00 0.00 173.24 175.19 3kgl h LEU 434 N 0.52 0.00 0.03 2.42 -0.00 -1.96 0.37 115.31 116.70 3kgl h LEU 434 Ca -0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.41 3kgl h LEU 434 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 3kgl h LEU 434 CO 0.59 0.00 -0.02 -0.33 -0.00 0.00 0.00 178.44 178.68 3kgl h GLU 435 N 0.00 -0.04 -0.60 1.13 4.39 -1.98 -0.58 114.58 116.90 3kgl h GLU 435 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 3kgl h GLU 435 Cb 0.07 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.65 3kgl h GLU 435 CO 0.00 0.07 0.16 0.93 -1.16 0.00 0.00 179.01 179.01 3kgl h GLU 436 N -1.01 0.30 -0.87 2.33 5.08 -1.79 0.55 114.58 119.17 3kgl h GLU 436 Ca -0.00 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3kgl h GLU 436 Cb 0.13 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3kgl h GLU 436 CO 0.01 0.20 0.55 0.00 -1.00 0.00 0.00 179.01 178.76 3kgl h ALA 437 N 1.46 1.18 -0.52 3.43 0.00 -0.41 -1.27 119.26 123.13 3kgl h ALA 437 Ca 0.31 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3kgl h ALA 437 Cb 0.44 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3kgl h ALA 437 CO -0.37 0.33 0.23 -0.09 0.00 0.00 0.00 179.25 179.35 3kgl h ARG 438 N 1.02 0.42 0.76 0.00 2.43 0.73 -1.85 114.38 117.89 3kgl h ARG 438 Ca 0.37 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 3kgl h ARG 438 Cb 0.12 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3kgl h ARG 438 CO -0.15 0.28 -0.40 0.00 -1.51 0.00 0.00 179.97 178.19 3kgl h ARG 439 N 0.44 -1.02 -0.94 0.20 3.08 -0.38 -1.91 114.38 113.84 3kgl h ARG 439 Ca 0.24 0.07 0.28 0.00 0.07 0.00 0.00 59.98 60.65 3kgl h ARG 439 Cb 0.22 0.23 -0.15 0.00 0.08 0.00 0.00 29.97 30.35 3kgl h ARG 439 CO -0.21 -0.68 0.35 0.28 -1.07 0.00 0.00 179.97 178.63 3kgl h VAL 440 N -1.06 0.25 -0.01 2.04 2.07 -0.98 -0.73 116.25 117.83 3kgl h VAL 440 Ca -0.10 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.14 3kgl h VAL 440 Cb 0.83 0.03 0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3kgl h VAL 440 CO 0.15 0.04 -0.80 0.50 0.02 0.00 0.00 177.57 177.48 3kgl h LYS 441 N 0.20 0.56 0.00 1.57 3.64 -1.05 -3.41 116.57 118.09 3kgl h LYS 441 Ca 0.64 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3kgl h LYS 441 Cb 1.41 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 3kgl h LYS 441 CO -0.68 1.21 -0.26 1.19 -2.27 0.00 0.00 179.45 178.64 3kgl n PHE 442 N -4.05 0.00 0.18 1.91 3.72 -0.64 -4.64 117.46 113.94 3kgl n PHE 442 Ca -0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.16 3kgl n PHE 442 Cb 0.77 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.22 3kgl n PHE 442 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3kgl h ASN 443 N 0.00 -0.39 -2.70 4.37 -0.26 -1.38 -3.39 115.58 111.82 3kgl h ASN 443 Ca 0.00 -0.12 -0.57 0.00 -0.56 0.00 0.00 56.30 55.05 3kgl h ASN 443 Cb 0.12 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 3kgl h ASN 443 CO 0.00 -0.09 1.19 -0.89 -1.06 0.00 0.00 177.43 176.59 3kgl s THR 444 N -5.09 3.57 -0.62 2.81 2.01 -1.26 -4.82 115.64 112.25 3kgl s THR 444 Ca -0.15 0.63 0.21 0.00 0.31 0.00 0.00 61.69 62.69 3kgl s THR 444 Cb 0.03 -3.64 -0.27 0.00 0.01 0.00 0.00 72.50 68.62 3kgl s THR 444 CO 0.57 -0.32 0.74 2.30 -0.69 0.00 0.00 174.62 177.22 3kgl n ILE 445 N 6.77 0.00 -1.30 1.82 -6.64 -1.26 -3.90 119.36 114.85 3kgl n ILE 445 Ca 0.21 -0.20 -0.31 0.00 -1.77 0.00 0.00 62.75 60.68 3kgl n ILE 445 Cb 0.46 0.60 0.10 0.00 -1.44 0.00 0.00 39.64 39.35 3kgl n ILE 445 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 3kgl s GLU 446 N -3.21 2.10 -0.24 6.28 1.03 -1.26 -4.47 118.70 118.94 3kgl s GLU 446 Ca 0.02 1.03 -0.02 0.00 0.03 0.00 0.00 54.97 56.03 3kgl s GLU 446 Cb 0.15 -1.89 -0.14 0.00 -0.80 0.00 0.00 34.13 31.45 3kgl s GLU 446 CO 0.89 -1.71 -0.24 2.41 -1.33 0.00 0.00 175.26 175.28 3kgl n THR 447 N -3.55 1.33 0.00 1.83 -1.04 -1.26 -2.63 114.28 108.96 3kgl n THR 447 Ca 0.08 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3kgl n THR 447 Cb 0.54 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 3kgl n THR 447 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3kgl n THR 448 N -3.44 0.00 -5.23 12.58 -1.04 -1.26 -4.60 114.28 111.28 3kgl n THR 448 Ca -0.43 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.26 3kgl n THR 448 Cb 0.91 -0.33 -0.17 0.00 -1.82 0.00 0.00 70.33 68.92 3kgl n THR 448 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3kgl s LEU 449 N -2.23 2.09 0.04 -4.42 1.43 -1.26 -0.91 118.68 113.41 3kgl s LEU 449 Ca 0.00 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3kgl s LEU 449 Cb 0.00 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3kgl s LEU 449 CO 0.00 0.18 -0.01 0.28 0.23 0.00 0.00 176.35 177.03 3kgl s THR 450 N 0.20 0.18 0.81 5.49 -1.32 -0.79 -4.77 115.64 115.44 3kgl s THR 450 Ca -0.15 -1.48 -0.11 0.00 -1.21 0.00 0.00 61.69 58.73 3kgl s THR 450 Cb -0.17 -1.12 0.08 0.00 -1.51 0.00 0.00 72.50 69.78 3kgl s THR 450 CO 0.08 -0.82 1.10 -2.28 -2.21 0.00 0.00 174.62 170.48 3kgl s HIS 451 N -3.14 2.74 -0.13 9.09 2.46 -1.26 -0.40 115.29 124.65 3kgl s HIS 451 Ca -0.00 1.18 -0.30 0.00 0.47 0.00 0.00 55.06 56.40 3kgl s HIS 451 Cb 0.02 -3.13 0.12 0.00 -0.13 0.00 0.00 32.58 29.47 3kgl s HIS 451 CO -0.07 -1.87 1.00 0.45 -2.47 0.00 0.00 174.74 171.78 3kgl s SER 452 N -3.82 -0.34 -0.00 9.88 0.15 -0.90 -4.72 113.70 113.94 3kgl s SER 452 Ca 0.61 0.26 0.07 0.00 0.70 0.00 0.00 55.95 57.60 3kgl s SER 452 Cb -0.15 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 3kgl s SER 452 CO 0.55 -0.39 -0.22 -0.44 1.20 0.00 0.00 173.24 173.93 3kgl s SER 453 N -1.52 2.60 0.00 5.45 0.01 -1.26 -4.71 113.70 114.27 3kgl s SER 453 Ca 0.01 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3kgl s SER 453 Cb -0.01 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.95 3kgl s SER 453 CO -0.02 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.50 3kgl n GLY 454 N 2.38 0.11 3.62 3.44 0.00 -1.26 -5.12 105.19 108.35 3kgl n GLY 454 Ca -0.16 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 3kgl n GLY 454 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kgl s PRO 455 N -2.00 3.67 0.00 1.61 0.02 -1.26 -5.09 135.00 131.95 3kgl s PRO 455 Ca 0.00 1.53 0.11 0.00 0.02 0.00 0.00 61.00 62.66 3kgl s PRO 455 Cb 0.00 -4.07 0.66 0.00 0.02 0.00 0.00 34.50 31.11 3kgl s PRO 455 CO 0.00 -1.45 1.10 0.00 -0.33 0.00 0.00 177.00 176.32