#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgl s GLN 2 N 0.00 0.74 0.06 -1.09 -0.21 -1.24 -4.73 119.66 113.20 3kgl s GLN 2 Ca 0.00 -0.72 -0.38 0.00 0.02 0.00 0.00 55.36 54.28 3kgl s GLN 2 Cb 0.00 0.30 -0.18 0.00 1.00 0.00 0.00 33.01 34.14 3kgl s GLN 2 CO 0.00 -0.22 1.25 1.97 -2.12 0.00 0.00 175.29 176.17 3kgl n PHE 3 N 0.47 1.23 -0.93 0.91 -1.74 -1.26 -0.76 117.46 115.37 3kgl n PHE 3 Ca -0.18 0.77 -0.11 0.00 -0.56 0.00 0.00 57.45 57.37 3kgl n PHE 3 Cb 0.60 -2.25 0.25 0.00 1.52 0.00 0.00 39.48 39.59 3kgl n PHE 3 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 3kgl n PRO 4 N 2.19 3.09 -1.67 3.97 -0.04 -1.26 -4.88 135.00 136.40 3kgl n PRO 4 Ca 0.19 -2.82 -0.30 0.00 -0.04 0.00 0.00 63.50 60.53 3kgl n PRO 4 Cb 0.16 -2.13 0.05 0.00 -0.04 0.00 0.00 33.50 31.54 3kgl n PRO 4 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kgl n ASN 5 N -0.41 6.47 0.00 3.54 4.13 0.06 -4.74 115.26 124.31 3kgl n ASN 5 Ca 0.44 -3.77 0.03 0.00 1.68 0.00 0.00 54.58 52.95 3kgl n ASN 5 Cb 1.41 -0.70 0.12 0.00 -1.54 0.00 0.00 39.78 39.06 3kgl n ASN 5 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3kgl n GLU 6 N -0.81 0.00 -0.04 3.52 0.28 -1.23 -2.34 120.64 120.02 3kgl n GLU 6 Ca 0.54 0.40 0.02 0.00 -0.16 0.00 0.00 57.16 57.96 3kgl n GLU 6 Cb 0.78 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.18 3kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kgl s GLN 8 N -1.12 3.36 -0.13 0.00 2.00 -0.99 -4.95 119.66 117.84 3kgl s GLN 8 Ca 0.06 -1.56 -0.02 0.00 -2.00 0.00 0.00 55.36 51.83 3kgl s GLN 8 Cb 0.04 -5.40 -0.03 0.00 0.80 0.00 0.00 33.01 28.42 3kgl s GLN 8 CO 0.03 -2.92 -0.04 -0.51 -0.50 0.00 0.00 175.29 171.34 3kgl s LEU 9 N 6.97 3.24 -0.00 3.68 1.02 -1.26 -3.31 118.68 129.02 3kgl s LEU 9 Ca 0.59 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.70 3kgl s LEU 9 Cb 0.02 -1.76 -0.06 0.00 0.02 0.00 0.00 46.19 44.41 3kgl s LEU 9 CO 0.08 0.23 0.12 0.47 0.02 0.00 0.00 176.35 177.27 3kgl n ASP 10 N 3.14 2.78 -3.67 2.29 8.00 -1.26 -4.97 116.55 122.85 3kgl n ASP 10 Ca -0.18 -0.19 -0.10 0.00 0.71 0.00 0.00 54.79 55.03 3kgl n ASP 10 Cb 0.53 1.13 -0.11 0.00 -0.02 0.00 0.00 41.12 42.65 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 -2.01 0.31 0.19 -1.24 0.74 -1.26 -4.47 119.66 111.92 3kgl s GLN 11 Ca -0.01 0.88 0.06 0.00 0.05 0.00 0.00 55.36 56.34 3kgl s GLN 11 Cb 0.03 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 3kgl s GLN 11 CO 0.18 -0.22 0.14 -0.51 -0.55 0.00 0.00 175.29 174.32 3kgl s LEU 12 N 2.11 3.75 0.01 3.68 1.43 0.19 -4.93 118.68 124.93 3kgl s LEU 12 Ca -0.04 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3kgl s LEU 12 Cb -0.11 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 3kgl s LEU 12 CO -0.12 0.04 -0.07 0.20 0.23 0.00 0.00 176.35 176.64 3kgl s ASN 13 N -3.30 0.75 -0.08 2.29 0.02 -1.26 -4.60 114.94 108.76 3kgl s ASN 13 Ca 0.31 -0.28 -0.33 0.00 -1.02 0.00 0.00 52.86 51.54 3kgl s ASN 13 Cb -0.09 -0.03 -0.11 0.00 0.02 0.00 0.00 41.25 41.03 3kgl s ASN 13 CO 0.23 -0.04 1.91 0.00 0.02 0.00 0.00 177.10 179.23 3kgl n ALA 14 N 2.35 0.99 -2.77 0.60 0.00 -1.26 -4.70 120.51 115.73 3kgl n ALA 14 Ca -0.17 0.25 -0.27 0.00 0.00 0.00 0.00 53.44 53.26 3kgl n ALA 14 Cb 0.57 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 3kgl n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kgl s LEU 15 N 4.31 3.71 0.28 0.00 1.43 0.17 -4.81 118.68 123.75 3kgl s LEU 15 Ca 0.93 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 3kgl s LEU 15 Cb -0.65 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3kgl s LEU 15 CO 0.50 0.09 0.14 -1.61 0.23 0.00 0.00 176.35 175.69 3kgl s GLU 16 N -2.98 1.50 0.72 1.70 2.02 -1.26 -1.02 118.70 119.38 3kgl s GLU 16 Ca 0.30 -1.84 -0.16 0.00 0.02 0.00 0.00 54.97 53.29 3kgl s GLU 16 Cb -0.10 -0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.00 3kgl s GLU 16 CO 0.22 -0.39 0.89 -2.30 0.02 0.00 0.00 175.26 173.70 3kgl n PRO 17 N -0.52 0.46 0.00 0.39 -0.02 -1.26 -4.72 135.00 129.33 3kgl n PRO 17 Ca 0.01 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.70 3kgl n PRO 17 Cb 0.65 -2.15 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3kgl n PRO 17 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kgl n SER 18 N -1.45 0.31 -3.75 2.55 7.64 -0.43 -4.93 113.62 113.54 3kgl n SER 18 Ca 0.12 -0.65 -0.13 0.00 1.01 0.00 0.00 58.87 59.22 3kgl n SER 18 Cb 0.49 0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 64.36 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 -0.85 -0.25 -0.03 1.43 3.76 -1.10 -5.01 115.29 113.23 3kgl s HIS 19 Ca 0.01 0.50 0.04 0.00 -0.15 0.00 0.00 55.06 55.45 3kgl s HIS 19 Cb 0.01 0.11 -0.00 0.00 1.11 0.00 0.00 32.58 33.81 3kgl s HIS 19 CO 0.04 -0.33 -0.13 0.08 -0.85 0.00 0.00 174.74 173.55 3kgl s VAL 20 N -0.84 1.09 -0.41 -0.90 1.01 -1.26 -2.05 120.40 117.04 3kgl s VAL 20 Ca -0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3kgl s VAL 20 Cb -0.04 -0.94 0.09 0.00 0.00 0.00 0.00 36.38 35.49 3kgl s VAL 20 CO 0.03 0.32 0.23 -0.76 0.00 0.00 0.00 175.10 174.92 3kgl s LEU 21 N -0.00 5.09 -0.23 3.92 1.43 -0.43 -4.98 118.68 123.48 3kgl s LEU 21 Ca -0.01 -1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 51.22 3kgl s LEU 21 Cb -0.09 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3kgl s LEU 21 CO 0.01 -0.52 0.76 -0.54 0.23 0.00 0.00 176.35 176.28 3kgl s LYS 22 N 1.33 4.18 0.25 1.70 1.02 -1.26 -1.26 119.74 125.70 3kgl s LYS 22 Ca 0.04 0.82 0.10 0.00 0.02 0.00 0.00 55.97 56.94 3kgl s LYS 22 Cb -0.23 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 3kgl s LYS 22 CO -0.00 -0.43 -0.04 0.00 -0.92 0.00 0.00 175.35 173.96 3kgl s ALA 23 N 2.56 3.09 0.12 5.17 0.00 0.13 -4.76 121.76 128.07 3kgl s ALA 23 Ca 0.32 -1.64 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 3kgl s ALA 23 Cb -0.16 -0.72 0.17 0.00 0.00 0.00 0.00 23.12 22.41 3kgl s ALA 23 CO 0.09 0.30 0.75 -1.91 0.00 0.00 0.00 175.76 174.99 3kgl n GLU 24 N -0.71 -0.08 -2.40 0.00 2.13 0.75 -2.27 120.64 118.06 3kgl n GLU 24 Ca -0.07 0.75 -0.12 0.00 0.66 0.00 0.00 57.16 58.38 3kgl n GLU 24 Cb 0.58 -1.11 0.04 0.00 0.27 0.00 0.00 31.44 31.22 3kgl n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kgl n ALA 25 N -3.78 3.78 0.00 4.31 0.00 -0.05 -4.79 120.51 119.98 3kgl n ALA 25 Ca 0.06 -3.26 0.00 0.00 0.00 0.00 0.00 53.44 50.24 3kgl n ALA 25 Cb 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.65 -1.80 3.27 0.00 0.00 -0.96 -1.66 105.19 103.40 3kgl n GLY 26 Ca 0.25 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.87 0.72 -0.35 1.61 1.70 -0.79 0.21 118.95 120.19 3kgl s ARG 27 Ca 0.00 -0.18 -0.12 0.00 -0.47 0.00 0.00 55.73 54.97 3kgl s ARG 27 Cb 0.00 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 3kgl s ARG 27 CO 0.00 -0.20 0.21 0.42 -1.08 0.00 0.00 175.30 174.65 3kgl s ILE 28 N -1.41 4.90 -0.31 4.99 1.01 -0.39 -1.02 121.20 128.97 3kgl s ILE 28 Ca -0.13 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 3kgl s ILE 28 Cb -0.04 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3kgl s ILE 28 CO 0.04 -0.08 0.18 -1.61 0.00 0.00 0.00 174.94 173.47 3kgl s GLU 29 N 1.64 3.47 -0.10 2.79 2.02 -0.18 -1.31 118.70 127.03 3kgl s GLU 29 Ca 0.05 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.42 3kgl s GLU 29 Cb -0.18 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 3kgl s GLU 29 CO 0.08 -0.38 -0.19 0.54 0.02 0.00 0.00 175.26 175.33 3kgl s VAL 30 N 1.66 2.53 0.61 2.63 0.11 -0.87 -0.62 120.40 126.45 3kgl s VAL 30 Ca 0.05 -0.86 -0.14 0.00 -2.93 0.00 0.00 61.98 58.11 3kgl s VAL 30 Cb -0.17 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.64 3kgl s VAL 30 CO 0.08 0.55 1.04 0.26 -3.33 0.00 0.00 175.10 173.69 3kgl s TRP 31 N 0.20 3.24 -0.33 1.54 0.51 -0.71 -1.32 118.94 122.08 3kgl s TRP 31 Ca -0.12 1.44 -0.21 0.00 -2.12 0.00 0.00 56.10 55.10 3kgl s TRP 31 Cb -0.16 -2.88 -0.00 0.00 -0.81 0.00 0.00 33.47 29.62 3kgl s TRP 31 CO 0.06 -0.90 0.66 0.34 -0.51 0.00 0.00 176.95 176.61 3kgl s ASP 32 N -3.35 6.50 0.00 2.95 2.15 -1.26 -4.64 116.67 119.02 3kgl s ASP 32 Ca 0.60 0.36 0.28 0.00 0.43 0.00 0.00 52.55 54.22 3kgl s ASP 32 Cb -0.13 -2.34 0.99 0.00 -0.30 0.00 0.00 42.92 41.13 3kgl s ASP 32 CO 0.43 -0.55 1.74 0.00 -0.17 0.00 0.00 175.17 176.62 3kgl n HIS 33 N 6.01 0.00 1.37 -5.34 1.44 -1.26 -3.01 115.22 114.43 3kgl n HIS 33 Ca -0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 3kgl n HIS 33 Cb 0.49 -0.33 0.64 0.00 0.12 0.00 0.00 29.99 30.91 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 -1.35 0.00 -1.87 -1.40 8.25 -1.26 -3.16 115.22 114.43 3kgl n HIS 34 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 3kgl n HIS 34 Cb 0.32 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 3kgl n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kgl s ALA 35 N -2.56 3.81 0.21 -1.41 0.00 -1.17 -4.84 121.76 115.81 3kgl s ALA 35 Ca 0.27 1.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.55 3kgl s ALA 35 Cb 0.20 -3.64 0.25 0.00 0.00 0.00 0.00 23.12 19.93 3kgl s ALA 35 CO 0.48 -0.84 1.63 -1.35 0.00 0.00 0.00 175.76 175.68 3kgl h PRO 36 N 6.44 0.01 -0.90 0.00 0.11 -1.87 0.20 132.00 135.99 3kgl h PRO 36 Ca -0.43 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.77 3kgl h PRO 36 Cb 1.21 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3kgl h PRO 36 CO 0.90 0.01 0.58 0.37 -0.21 0.00 0.00 178.00 179.65 3kgl h GLN 37 N 0.01 0.88 0.09 1.05 4.15 -1.90 -2.20 115.11 117.19 3kgl h GLN 37 Ca 0.31 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.41 3kgl h GLN 37 Cb 0.48 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3kgl h GLN 37 CO -0.65 0.58 -1.28 -0.07 -1.93 0.00 0.00 178.83 175.48 3kgl h LEU 38 N 0.91 0.31 -0.61 -2.39 3.38 -1.42 -3.30 115.31 112.18 3kgl h LEU 38 Ca 0.42 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kgl h LEU 38 Cb 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3kgl h LEU 38 CO -0.18 1.29 0.34 -0.09 0.09 0.00 0.00 178.44 179.89 3kgl h ARG 39 N 0.05 0.85 0.02 1.13 2.43 -0.31 -2.60 114.38 115.96 3kgl h ARG 39 Ca -0.14 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3kgl h ARG 39 Cb 1.94 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 31.27 3kgl h ARG 39 CO 0.17 0.64 -0.36 0.00 -1.51 0.00 0.00 179.97 178.92 3kgl n SER 41 N -5.43 0.32 -2.44 0.00 7.64 -1.09 -4.85 113.62 107.77 3kgl n SER 41 Ca -0.05 0.63 -0.18 0.00 1.01 0.00 0.00 58.87 60.28 3kgl n SER 41 Cb 0.35 -0.68 0.03 0.00 -1.01 0.00 0.00 64.21 62.90 3kgl n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgl n GLY 42 N -1.10 -0.28 3.16 0.23 0.00 -0.66 -4.87 105.19 101.67 3kgl n GLY 42 Ca -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.05 0.13 0.41 1.61 -7.23 -1.21 -1.95 120.40 109.11 3kgl s VAL 43 Ca 0.24 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 58.72 3kgl s VAL 43 Cb -0.11 -1.83 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 3kgl s VAL 43 CO 0.30 -0.60 0.09 -0.55 -0.31 0.00 0.00 175.10 174.03 3kgl s SER 44 N -2.99 4.15 0.03 4.85 0.15 -0.75 -4.67 113.70 114.47 3kgl s SER 44 Ca 0.17 -1.21 -0.02 0.00 0.70 0.00 0.00 55.95 55.59 3kgl s SER 44 Cb 0.07 -0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 3kgl s SER 44 CO -0.02 -0.48 0.01 0.12 1.20 0.00 0.00 173.24 174.06 3kgl s PHE 45 N -2.65 0.28 0.00 3.44 5.36 -1.26 -1.54 117.98 121.61 3kgl s PHE 45 Ca 0.38 -0.59 -0.21 0.00 -0.96 0.00 0.00 56.93 55.55 3kgl s PHE 45 Cb 0.07 -0.21 0.04 0.00 -0.34 0.00 0.00 43.02 42.58 3kgl s PHE 45 CO 0.20 -0.27 0.45 0.54 -1.46 0.00 0.00 175.22 174.68 3kgl s VAL 46 N -2.17 0.04 -0.10 3.12 0.11 -0.58 -1.73 120.40 119.08 3kgl s VAL 46 Ca -0.09 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3kgl s VAL 46 Cb -0.04 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3kgl s VAL 46 CO -0.03 -0.18 -0.09 -0.60 -3.33 0.00 0.00 175.10 170.87 3kgl s ARG 47 N -1.77 1.57 -0.09 1.54 3.52 0.21 -0.89 118.95 123.03 3kgl s ARG 47 Ca -0.09 -0.29 -0.24 0.00 -0.13 0.00 0.00 55.73 54.97 3kgl s ARG 47 Cb -0.02 -1.54 -0.03 0.00 -1.56 0.00 0.00 34.95 31.80 3kgl s ARG 47 CO 0.03 -0.19 0.75 0.71 -0.81 0.00 0.00 175.30 175.79 3kgl s TYR 48 N 1.43 3.53 -0.45 5.12 2.02 0.85 -1.01 117.35 128.85 3kgl s TYR 48 Ca -0.00 1.27 -0.01 0.00 -0.37 0.00 0.00 57.07 57.95 3kgl s TYR 48 Cb -0.13 -2.88 0.12 0.00 -0.40 0.00 0.00 41.96 38.66 3kgl s TYR 48 CO -0.05 -0.02 0.22 0.42 -1.57 0.00 0.00 175.55 174.55 3kgl s ILE 49 N 1.22 3.11 -0.24 2.71 1.01 -0.19 -1.87 121.20 126.96 3kgl s ILE 49 Ca 0.38 -2.40 -0.11 0.00 0.00 0.00 0.00 60.65 58.53 3kgl s ILE 49 Cb -0.18 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 3kgl s ILE 49 CO 0.17 -0.72 0.17 -0.63 0.00 0.00 0.00 174.94 173.93 3kgl s ILE 50 N 0.74 5.35 0.01 2.92 1.01 0.19 -1.88 121.20 129.55 3kgl s ILE 50 Ca 0.11 0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.94 3kgl s ILE 50 Cb -0.22 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3kgl s ILE 50 CO -0.04 0.33 0.02 -0.62 0.00 0.00 0.00 174.94 174.63 3kgl n GLU 51 N 4.38 -0.32 -3.13 2.79 -0.58 -0.66 -1.03 120.64 122.08 3kgl n GLU 51 Ca -0.15 -0.03 -0.36 0.00 -0.42 0.00 0.00 57.16 56.20 3kgl n GLU 51 Cb 0.52 -0.02 -0.06 0.00 -0.57 0.00 0.00 31.44 31.31 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 -1.21 7.05 0.00 1.62 0.15 -1.26 -2.88 113.70 117.17 3kgl s SER 52 Ca 0.01 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3kgl s SER 52 Cb -0.00 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3kgl s SER 52 CO 0.01 0.07 0.00 0.29 1.20 0.00 0.00 173.24 174.80 3kgl n LYS 53 N 0.85 -0.93 -3.18 5.44 5.02 -0.98 -4.91 118.16 119.47 3kgl n LYS 53 Ca -0.03 0.23 -0.39 0.00 -2.02 0.00 0.00 58.31 56.10 3kgl n LYS 53 Cb 0.51 -3.97 -0.06 0.00 -0.02 0.00 0.00 35.03 31.50 3kgl n LYS 53 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kgl s GLY 54 N -2.00 2.31 -0.18 0.72 0.00 -1.14 -0.80 107.32 106.23 3kgl s GLY 54 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 3kgl s GLY 54 CO 0.00 1.08 -0.07 -2.27 0.00 0.00 0.00 173.10 171.84 3kgl s LEU 55 N 1.18 2.89 -0.32 0.66 2.96 -0.15 -1.25 118.68 124.66 3kgl s LEU 55 Ca 0.30 -0.32 -0.19 0.00 -0.22 0.00 0.00 54.13 53.69 3kgl s LEU 55 Cb -0.16 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3kgl s LEU 55 CO 0.12 0.08 0.58 -0.47 -1.32 0.00 0.00 176.35 175.34 3kgl s TYR 56 N 0.87 3.20 0.40 5.38 5.04 0.20 -0.08 117.35 132.35 3kgl s TYR 56 Ca -0.02 0.42 -0.22 0.00 -2.44 0.00 0.00 57.07 54.81 3kgl s TYR 56 Cb -0.15 -2.96 -0.11 0.00 0.35 0.00 0.00 41.96 39.10 3kgl s TYR 56 CO 0.01 -0.50 0.95 -0.51 -1.34 0.00 0.00 175.55 174.16 3kgl s LEU 57 N 2.52 4.05 -0.26 6.97 1.43 -0.50 -1.66 118.68 131.23 3kgl s LEU 57 Ca 0.22 1.74 -0.41 0.00 -1.03 0.00 0.00 54.13 54.65 3kgl s LEU 57 Cb -0.15 -4.40 -0.17 0.00 0.03 0.00 0.00 46.19 41.50 3kgl s LEU 57 CO 0.12 -0.29 1.64 -2.65 0.23 0.00 0.00 176.35 175.41 3kgl n PRO 58 N -0.32 0.90 -4.12 1.29 -0.02 -1.26 -4.78 135.00 126.68 3kgl n PRO 58 Ca 0.06 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.72 3kgl n PRO 58 Cb 0.53 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.93 0.86 0.17 2.55 1.04 -0.93 -1.72 113.70 118.59 3kgl s SER 59 Ca 0.98 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 57.11 3kgl s SER 59 Cb -1.14 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 3kgl s SER 59 CO 0.66 -0.09 -0.20 0.72 0.98 0.00 0.00 173.24 175.31 3kgl s PHE 60 N -0.90 1.94 0.33 5.02 -0.12 -0.53 -1.78 117.98 121.93 3kgl s PHE 60 Ca -0.05 -0.44 0.09 0.00 -0.05 0.00 0.00 56.93 56.49 3kgl s PHE 60 Cb -0.07 -0.97 -0.06 0.00 -0.63 0.00 0.00 43.02 41.29 3kgl s PHE 60 CO 0.00 0.36 -0.05 -0.06 -0.05 0.00 0.00 175.22 175.42 3kgl s PHE 61 N -1.88 2.47 -2.74 3.49 0.08 -1.26 0.21 117.98 118.34 3kgl s PHE 61 Ca 0.16 -0.45 0.25 0.00 0.12 0.00 0.00 56.93 57.01 3kgl s PHE 61 Cb -0.07 -1.39 0.54 0.00 -0.57 0.00 0.00 43.02 41.54 3kgl s PHE 61 CO 0.07 0.55 1.46 -1.13 -0.10 0.00 0.00 175.22 176.07 3kgl n SER 62 N -0.85 2.43 -4.27 1.36 3.41 -1.24 -1.74 113.62 112.72 3kgl n SER 62 Ca -0.05 -1.81 -0.15 0.00 -0.26 0.00 0.00 58.87 56.61 3kgl n SER 62 Cb 0.63 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.95 0.74 0.73 6.66 -4.23 -1.26 -3.64 115.64 112.69 3kgl s THR 63 Ca 0.33 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.68 3kgl s THR 63 Cb 0.20 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3kgl s THR 63 CO 0.31 -0.36 1.17 0.00 -0.54 0.00 0.00 174.62 175.20 3kgl n ALA 64 N -0.32 0.30 -3.74 3.99 0.00 -1.26 -4.05 120.51 115.43 3kgl n ALA 64 Ca -0.05 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 3kgl n ALA 64 Cb 0.64 -2.24 -0.16 0.00 0.00 0.00 0.00 19.45 17.69 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 -3.65 0.11 -0.18 0.00 2.20 -0.79 -2.70 119.74 114.73 3kgl s LYS 65 Ca 0.76 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 3kgl s LYS 65 Cb -0.34 -0.38 0.04 0.00 -1.51 0.00 0.00 37.83 35.64 3kgl s LYS 65 CO 0.47 -0.17 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.04 3kgl s LEU 66 N 1.16 1.96 0.11 5.43 0.20 -1.04 -1.05 118.68 125.45 3kgl s LEU 66 Ca -0.08 -0.77 0.04 0.00 0.69 0.00 0.00 54.13 54.02 3kgl s LEU 66 Cb -0.13 -1.10 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 3kgl s LEU 66 CO -0.03 -0.16 0.06 -0.44 -0.29 0.00 0.00 176.35 175.50 3kgl s SER 67 N 1.50 5.32 -0.01 3.68 0.01 0.75 -1.68 113.70 123.28 3kgl s SER 67 Ca -0.00 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.17 3kgl s SER 67 Cb -0.16 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 3kgl s SER 67 CO -0.08 0.14 -0.09 0.12 0.41 0.00 0.00 173.24 173.74 3kgl s PHE 68 N -1.48 0.86 -0.35 2.43 5.36 0.24 -0.74 117.98 124.31 3kgl s PHE 68 Ca 0.29 -0.17 -0.16 0.00 -0.96 0.00 0.00 56.93 55.93 3kgl s PHE 68 Cb -0.11 -0.57 -0.01 0.00 -0.34 0.00 0.00 43.02 41.99 3kgl s PHE 68 CO 0.21 -0.03 0.38 0.14 -1.46 0.00 0.00 175.22 174.46 3kgl s VAL 69 N -0.15 5.15 -0.19 3.12 -7.23 -0.94 0.36 120.40 120.53 3kgl s VAL 69 Ca 0.02 0.02 -0.02 0.00 -1.81 0.00 0.00 61.98 60.19 3kgl s VAL 69 Cb -0.04 -3.85 -0.22 0.00 0.56 0.00 0.00 36.38 32.83 3kgl s VAL 69 CO -0.00 -0.13 0.06 0.00 -0.31 0.00 0.00 175.10 174.72 3kgl n ALA 70 N 5.42 1.16 -3.72 1.32 0.00 0.60 -1.21 120.51 124.08 3kgl n ALA 70 Ca -0.09 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 52.33 3kgl n ALA 70 Cb 0.49 -0.39 -0.16 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.54 0.24 0.00 0.00 1.02 -1.17 -4.81 119.74 112.48 3kgl s LYS 71 Ca -0.29 0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.81 3kgl s LYS 71 Cb 0.08 -0.46 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 3kgl s LYS 71 CO 0.68 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 3kgl n GLY 72 N 4.23 -0.27 3.50 -3.33 0.00 -1.26 0.18 105.19 108.24 3kgl n GLY 72 Ca -0.25 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.38 3kgl n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kgl s GLU 73 N 0.00 1.04 0.00 1.61 2.12 -1.26 -2.21 118.70 120.00 3kgl s GLU 73 Ca 0.00 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.55 3kgl s GLU 73 Cb 0.00 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.88 3kgl s GLU 73 CO 0.00 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 3kgl n GLY 74 N 0.90 -0.57 3.59 -1.50 0.00 0.69 -4.00 105.19 104.30 3kgl n GLY 74 Ca -0.19 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 3.09 0.02 0.99 1.43 0.40 0.34 118.68 124.94 3kgl s LEU 75 Ca 0.00 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3kgl s LEU 75 Cb 0.00 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3kgl s LEU 75 CO 0.00 0.17 -0.04 -0.32 0.23 0.00 0.00 176.35 176.39 3kgl s MET 76 N -2.27 0.34 -0.09 1.70 -2.45 -0.09 -1.39 119.30 115.05 3kgl s MET 76 Ca 0.22 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 3kgl s MET 76 Cb -0.11 -0.12 0.02 0.00 1.25 0.00 0.00 34.83 35.87 3kgl s MET 76 CO 0.14 0.02 -0.06 0.20 1.05 0.00 0.00 175.02 176.37 3kgl s GLY 77 N -0.98 0.69 0.13 2.11 0.00 -0.85 -0.75 107.32 107.69 3kgl s GLY 77 Ca -0.08 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.31 3kgl s GLY 77 CO -0.00 0.69 0.15 -1.60 0.00 0.00 0.00 173.10 172.34 3kgl s ARG 78 N 1.44 3.03 -0.14 2.90 3.52 -1.26 -2.10 118.95 126.34 3kgl s ARG 78 Ca -0.01 -0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 54.80 3kgl s ARG 78 Cb -0.13 -2.75 0.06 0.00 -1.56 0.00 0.00 34.95 30.56 3kgl s ARG 78 CO -0.04 0.52 0.12 0.08 -0.81 0.00 0.00 175.30 175.17 3kgl s VAL 79 N -1.64 -0.16 0.46 7.11 1.01 -0.52 -4.66 120.40 122.00 3kgl s VAL 79 Ca 0.31 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.33 3kgl s VAL 79 Cb -0.11 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.80 3kgl s VAL 79 CO 0.24 -0.13 0.66 0.68 0.00 0.00 0.00 175.10 176.55 3kgl s VAL 80 N 2.20 3.59 -0.47 2.92 -7.23 -1.26 -3.17 120.40 116.97 3kgl s VAL 80 Ca 0.04 -0.65 -0.27 0.00 -1.81 0.00 0.00 61.98 59.28 3kgl s VAL 80 Cb -0.15 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 3kgl s VAL 80 CO -0.08 -0.20 1.90 -2.84 -0.31 0.00 0.00 175.10 173.57 3kgl s PRO 81 N -4.54 2.88 -0.43 4.82 0.02 -1.26 -4.12 135.00 132.37 3kgl s PRO 81 Ca 0.51 1.08 -0.00 0.00 0.02 0.00 0.00 61.00 62.60 3kgl s PRO 81 Cb -0.10 -4.33 -0.00 0.00 0.02 0.00 0.00 34.50 30.09 3kgl s PRO 81 CO 0.37 -2.40 0.41 0.41 -0.33 0.00 0.00 177.00 175.45 3kgl n GLY 82 N 5.61 -0.77 3.36 0.52 0.00 -1.26 -5.09 105.19 107.57 3kgl n GLY 82 Ca 0.23 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.23 3kgl n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgl s ALA 84 N -2.61 0.03 -0.40 0.00 0.00 -1.26 -4.99 121.76 112.53 3kgl s ALA 84 Ca 0.21 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 3kgl s ALA 84 Cb -0.03 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.93 3kgl s ALA 84 CO 0.08 -3.50 0.26 -1.21 0.00 0.00 0.00 175.76 171.39 3kgl s GLU 85 N -4.65 2.86 0.00 0.00 2.02 -1.26 -4.75 118.70 112.92 3kgl s GLU 85 Ca 0.67 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 54.54 3kgl s GLU 85 Cb -0.23 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.15 3kgl s GLU 85 CO 0.62 -0.78 0.29 2.41 0.02 0.00 0.00 175.26 177.83 3kgl n THR 86 N 5.06 0.00 -1.49 3.63 -1.04 -1.21 -4.78 114.28 114.46 3kgl n THR 86 Ca -0.11 0.76 -0.30 0.00 -2.04 0.00 0.00 64.05 62.35 3kgl n THR 86 Cb 0.46 -1.68 0.10 0.00 -1.82 0.00 0.00 70.33 67.39 3kgl n THR 86 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3kgl s PHE 87 N -1.48 2.73 -0.02 -1.42 0.08 -1.12 -4.95 117.98 111.80 3kgl s PHE 87 Ca 0.00 1.17 -0.02 0.00 0.12 0.00 0.00 56.93 58.20 3kgl s PHE 87 Cb 0.00 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 3kgl s PHE 87 CO 0.00 -1.90 0.06 -1.14 -0.10 0.00 0.00 175.22 172.15 3kgl s GLN 88 N -5.11 0.10 -0.23 0.44 -0.44 -1.26 -3.24 119.66 109.92 3kgl s GLN 88 Ca 0.61 0.03 -0.01 0.00 -2.50 0.00 0.00 55.36 53.50 3kgl s GLN 88 Cb -0.15 0.05 0.02 0.00 -1.64 0.00 0.00 33.01 31.29 3kgl s GLN 88 CO 0.55 -0.02 -0.10 -0.51 0.50 0.00 0.00 175.29 175.71 3kgl s ASP 89 N -0.10 4.03 0.22 6.67 -0.00 -0.23 -4.18 116.67 123.07 3kgl s ASP 89 Ca -0.01 -0.81 -0.32 0.00 -0.00 0.00 0.00 52.55 51.41 3kgl s ASP 89 Cb -0.01 -1.62 -0.14 0.00 -0.00 0.00 0.00 42.92 41.15 3kgl s ASP 89 CO 0.00 -0.09 1.31 -1.20 -0.00 0.00 0.00 175.17 175.19 3kgl n SER 90 N 4.65 2.23 -4.68 0.27 7.64 -1.26 -1.75 113.62 120.71 3kgl n SER 90 Ca -0.18 1.14 -0.40 0.00 1.01 0.00 0.00 58.87 60.45 3kgl n SER 90 Cb 0.48 -1.35 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 3kgl n SER 90 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3kgl s SER 91 N 0.16 6.85 0.00 6.43 1.04 -1.26 -4.86 113.70 122.06 3kgl s SER 91 Ca 0.69 1.04 0.00 0.00 0.48 0.00 0.00 55.95 58.16 3kgl s SER 91 Cb -0.72 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.01 3kgl s SER 91 CO 0.51 -0.24 0.44 1.33 0.98 0.00 0.00 173.24 176.26 3kgl n VAL 92 N 4.34 0.00 -3.76 5.02 0.24 -1.26 -4.42 118.33 118.49 3kgl n VAL 92 Ca -0.00 0.94 -0.37 0.00 -2.04 0.00 0.00 64.34 62.87 3kgl n VAL 92 Cb 0.50 -1.70 -0.13 0.00 -1.47 0.00 0.00 33.84 31.04 3kgl n VAL 92 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3kgl s PHE 93 N -0.88 3.13 -0.42 6.34 5.99 -1.26 -5.08 117.98 125.80 3kgl s PHE 93 Ca 0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 56.93 55.94 3kgl s PHE 93 Cb 0.00 -2.25 0.02 0.00 0.00 0.00 0.00 43.02 40.79 3kgl s PHE 93 CO 0.00 -0.52 0.38 1.14 -0.00 0.00 0.00 175.22 176.22 3kgl s GLN 94 N 1.53 3.04 0.00 10.12 -2.07 -1.26 -4.96 119.66 126.05 3kgl s GLN 94 Ca 0.04 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.67 3kgl s GLN 94 Cb -0.17 -3.99 0.00 0.00 -1.09 0.00 0.00 33.01 27.77 3kgl s GLN 94 CO 0.03 -0.83 0.00 -0.35 -1.32 0.00 0.00 175.29 172.82 3kgl n PRO 95 N 5.41 0.00 -3.05 9.60 -0.05 -1.26 -4.23 135.00 141.42 3kgl n PRO 95 Ca -0.09 0.00 0.03 0.00 -0.05 0.00 0.00 63.50 63.39 3kgl n PRO 95 Cb 0.47 0.00 -0.00 0.00 -0.05 0.00 0.00 33.50 33.92 3kgl n PRO 95 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 3kgl s GLY 96 N -0.12 -1.29 0.14 0.55 0.00 -1.26 -4.68 107.32 100.65 3kgl s GLY 96 Ca 0.00 1.04 0.08 0.00 0.00 0.00 0.00 44.72 45.84 3kgl s GLY 96 CO 0.00 3.95 -0.18 -0.32 0.00 0.00 0.00 173.10 176.55 3kgl s GLY 138 N 2.26 1.28 0.27 0.20 0.00 -1.26 -5.14 107.32 104.93 3kgl s GLY 138 Ca 0.17 -1.37 -0.15 0.00 0.00 0.00 0.00 44.72 43.37 3kgl s GLY 138 CO -0.16 -1.40 0.68 -0.11 0.00 0.00 0.00 173.10 172.11 3kgl s PHE 139 N -1.76 3.44 0.00 1.90 -0.12 -1.26 -4.99 117.98 115.18 3kgl s PHE 139 Ca 0.11 1.16 0.00 0.00 -0.05 0.00 0.00 56.93 58.15 3kgl s PHE 139 Cb -0.07 -2.48 0.00 0.00 -0.63 0.00 0.00 43.02 39.84 3kgl s PHE 139 CO 0.05 0.19 0.00 2.89 -0.05 0.00 0.00 175.22 178.30 3kgl n ARG 140 N -0.07 1.64 -4.18 1.99 0.00 -1.26 -4.34 116.66 110.45 3kgl n ARG 140 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.56 3kgl n ARG 140 Cb 0.53 0.00 -0.16 0.00 -0.00 0.00 0.00 32.46 32.82 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 -0.99 2.76 -0.02 2.89 -1.08 -0.72 -4.92 116.67 114.59 3kgl s ASP 141 Ca 0.00 -0.52 -0.15 0.00 -0.52 0.00 0.00 52.55 51.36 3kgl s ASP 141 Cb 0.00 -1.24 -0.05 0.00 -1.46 0.00 0.00 42.92 40.16 3kgl s ASP 141 CO 0.00 -0.02 0.41 -0.04 0.52 0.00 0.00 175.17 176.04 3kgl s MET 142 N 1.30 3.99 -0.07 4.34 -1.94 -1.26 -1.07 119.30 124.58 3kgl s MET 142 Ca 0.02 0.40 -0.32 0.00 -1.71 0.00 0.00 55.69 54.08 3kgl s MET 142 Cb -0.13 -3.26 0.12 0.00 2.01 0.00 0.00 34.83 33.57 3kgl s MET 142 CO -0.09 0.60 1.22 -3.38 -0.01 0.00 0.00 175.02 173.37 3kgl s HIS 143 N -0.80 -0.09 1.11 -0.03 -3.43 -1.20 -5.03 115.29 105.82 3kgl s HIS 143 Ca 0.24 -0.00 -0.13 0.00 -0.80 0.00 0.00 55.06 54.36 3kgl s HIS 143 Cb -0.16 0.54 0.22 0.00 -1.43 0.00 0.00 32.58 31.75 3kgl s HIS 143 CO 0.13 -0.30 0.83 1.04 -2.00 0.00 0.00 174.74 174.43 3kgl n GLN 144 N -0.33 -1.87 -1.96 -0.38 1.13 -1.26 -2.77 117.38 109.94 3kgl n GLN 144 Ca -0.05 -0.51 -0.42 0.00 -1.94 0.00 0.00 57.00 54.08 3kgl n GLN 144 Cb 0.61 -2.10 -0.03 0.00 0.11 0.00 0.00 30.24 28.83 3kgl n GLN 144 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3kgl s LYS 145 N -4.23 4.20 -0.42 -1.09 2.20 -1.26 -4.30 119.74 114.84 3kgl s LYS 145 Ca 0.65 2.28 -0.18 0.00 -0.36 0.00 0.00 55.97 58.36 3kgl s LYS 145 Cb -0.23 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 32.39 3kgl s LYS 145 CO 0.64 -0.76 0.47 0.08 -0.36 0.00 0.00 175.35 175.42 3kgl s VAL 146 N 3.08 5.05 0.45 4.02 1.01 -1.26 -4.24 120.40 128.51 3kgl s VAL 146 Ca 0.74 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 3kgl s VAL 146 Cb -0.37 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 3kgl s VAL 146 CO 0.32 -0.43 0.79 -1.61 0.00 0.00 0.00 175.10 174.16 3kgl s GLU 147 N 2.24 3.63 -0.07 2.72 2.02 0.07 -4.88 118.70 124.44 3kgl s GLU 147 Ca 0.14 0.32 -0.06 0.00 0.02 0.00 0.00 54.97 55.38 3kgl s GLU 147 Cb -0.17 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3kgl s GLU 147 CO 0.14 -0.15 0.19 -1.58 0.02 0.00 0.00 175.26 173.88 3kgl s HIS 148 N -2.61 3.59 0.02 1.61 5.65 -1.26 -0.92 115.29 121.37 3kgl s HIS 148 Ca 0.49 0.52 0.05 0.00 0.25 0.00 0.00 55.06 56.38 3kgl s HIS 148 Cb -0.10 -1.94 -0.02 0.00 -1.18 0.00 0.00 32.58 29.34 3kgl s HIS 148 CO 0.40 0.69 -0.17 0.96 -0.65 0.00 0.00 174.74 175.98 3kgl s ILE 149 N -1.15 1.31 0.23 0.89 -4.36 0.15 -4.91 121.20 113.38 3kgl s ILE 149 Ca 0.20 -0.91 0.01 0.00 -0.26 0.00 0.00 60.65 59.69 3kgl s ILE 149 Cb -0.13 -1.13 -0.05 0.00 1.25 0.00 0.00 42.46 42.40 3kgl s ILE 149 CO 0.10 0.21 0.09 0.00 0.24 0.00 0.00 174.94 175.57 3kgl s ARG 150 N -0.82 1.32 0.20 0.37 1.70 -1.26 -0.22 118.95 120.24 3kgl s ARG 150 Ca 0.05 -1.70 -0.32 0.00 -0.47 0.00 0.00 55.73 53.29 3kgl s ARG 150 Cb -0.07 -0.17 -0.14 0.00 -0.57 0.00 0.00 34.95 33.99 3kgl s ARG 150 CO 0.01 -0.28 1.44 2.41 -1.08 0.00 0.00 175.30 177.79 3kgl n THR 151 N -0.39 0.61 0.00 4.99 -1.04 -0.94 -2.14 114.28 115.37 3kgl n THR 151 Ca -0.01 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3kgl n THR 151 Cb 0.66 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 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 2.54 2.15 3.76 3.41 0.00 -0.35 -4.80 105.19 111.91 3kgl n GLY 152 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.42 6.37 -0.22 1.61 1.01 -0.91 -0.91 116.67 122.20 3kgl s ASP 153 Ca 0.00 2.99 0.01 0.00 0.71 0.00 0.00 52.55 56.26 3kgl s ASP 153 Cb 0.00 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.31 3kgl s ASP 153 CO 0.00 -0.89 -0.14 -0.89 0.21 0.00 0.00 175.17 173.46 3kgl s THR 154 N -0.57 2.25 -0.09 -1.27 2.01 0.57 -2.21 115.64 116.33 3kgl s THR 154 Ca 0.58 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 3kgl s THR 154 Cb -0.47 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3kgl s THR 154 CO 0.55 0.28 0.07 -0.63 -0.69 0.00 0.00 174.62 174.21 3kgl s ILE 155 N 1.23 4.85 0.01 1.82 1.09 0.09 -2.07 121.20 128.22 3kgl s ILE 155 Ca -0.01 -0.09 0.06 0.00 -1.10 0.00 0.00 60.65 59.52 3kgl s ILE 155 Cb -0.16 -3.10 -0.03 0.00 -1.06 0.00 0.00 42.46 38.11 3kgl s ILE 155 CO -0.09 0.57 -0.18 0.00 -0.10 0.00 0.00 174.94 175.15 3kgl s ALA 156 N -0.99 2.58 -0.04 9.38 0.00 -0.70 -0.17 121.76 131.81 3kgl s ALA 156 Ca 0.15 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 3kgl s ALA 156 Cb -0.12 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.24 3kgl s ALA 156 CO 0.05 0.56 0.05 0.99 0.00 0.00 0.00 175.76 177.41 3kgl s THR 157 N -0.84 -0.04 0.42 0.00 2.01 -0.22 -4.92 115.64 112.06 3kgl s THR 157 Ca 0.13 0.35 -0.24 0.00 0.31 0.00 0.00 61.69 62.24 3kgl s THR 157 Cb -0.10 -0.19 -0.08 0.00 0.01 0.00 0.00 72.50 72.14 3kgl s THR 157 CO 0.03 0.17 1.13 -1.00 -0.69 0.00 0.00 174.62 174.27 3kgl s HIS 158 N 1.93 3.05 0.11 4.92 3.76 -1.26 -1.88 115.29 125.91 3kgl s HIS 158 Ca 0.02 1.57 -0.36 0.00 -0.15 0.00 0.00 55.06 56.15 3kgl s HIS 158 Cb -0.12 -3.31 -0.16 0.00 1.11 0.00 0.00 32.58 30.10 3kgl s HIS 158 CO -0.03 -1.19 1.41 -2.30 -0.85 0.00 0.00 174.74 171.78 3kgl n PRO 159 N -0.18 1.44 0.00 8.40 -0.02 -1.26 -1.60 135.00 141.78 3kgl n PRO 159 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kgl n PRO 159 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3kgl n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgl n GLY 160 N 2.79 1.30 3.71 -1.23 0.00 -0.71 -5.00 105.19 106.04 3kgl n GLY 160 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.33 4.92 0.01 1.61 1.01 -0.63 -4.88 120.40 120.10 3kgl s VAL 161 Ca 0.00 1.83 -0.17 0.00 0.00 0.00 0.00 61.98 63.64 3kgl s VAL 161 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 3kgl s VAL 161 CO 0.00 0.16 0.47 0.00 0.00 0.00 0.00 175.10 175.73 3kgl s ALA 162 N 1.15 3.64 0.02 5.51 0.00 -1.19 -4.33 121.76 126.56 3kgl s ALA 162 Ca 0.46 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.30 3kgl s ALA 162 Cb -0.19 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 3kgl s ALA 162 CO 0.22 0.39 -0.06 -0.65 0.00 0.00 0.00 175.76 175.67 3kgl s GLN 163 N -0.87 0.42 0.03 0.00 -0.21 -0.74 -1.44 119.66 116.85 3kgl s GLN 163 Ca 0.26 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 55.17 3kgl s GLN 163 Cb -0.17 -0.25 -0.02 0.00 1.00 0.00 0.00 33.01 33.57 3kgl s GLN 163 CO 0.15 0.05 -0.09 1.67 -2.12 0.00 0.00 175.29 174.94 3kgl s TRP 164 N -0.89 0.82 0.04 0.91 1.48 -0.89 -2.19 118.94 118.22 3kgl s TRP 164 Ca -0.06 -0.34 0.08 0.00 -1.06 0.00 0.00 56.10 54.72 3kgl s TRP 164 Cb -0.07 -0.49 -0.03 0.00 -1.16 0.00 0.00 33.47 31.72 3kgl s TRP 164 CO -0.00 -0.02 -0.24 -0.06 -4.06 0.00 0.00 176.95 172.56 3kgl s PHE 165 N -0.88 2.15 -0.05 1.66 0.08 -0.66 -2.00 117.98 118.28 3kgl s PHE 165 Ca -0.03 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.64 3kgl s PHE 165 Cb -0.07 -1.29 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3kgl s PHE 165 CO 0.01 0.10 -0.10 -0.47 -0.10 0.00 0.00 175.22 174.66 3kgl s TYR 166 N -0.78 1.19 -0.90 0.36 5.04 -0.48 0.59 117.35 122.37 3kgl s TYR 166 Ca 0.10 -0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 54.16 3kgl s TYR 166 Cb -0.10 -0.90 0.16 0.00 0.35 0.00 0.00 41.96 41.47 3kgl s TYR 166 CO 0.02 -0.23 1.02 1.21 -1.34 0.00 0.00 175.55 176.23 3kgl s ASN 167 N 0.66 6.67 0.35 4.32 3.04 -0.38 -0.45 114.94 129.15 3kgl s ASN 167 Ca -0.12 -2.23 0.27 0.00 0.04 0.00 0.00 52.86 50.81 3kgl s ASN 167 Cb -0.15 -2.34 1.07 0.00 -1.54 0.00 0.00 41.25 38.29 3kgl s ASN 167 CO 0.02 -0.92 1.80 -2.24 -3.04 0.00 0.00 177.10 172.73 3kgl h ASP 168 N 8.52 0.00 -4.11 -4.21 2.03 -1.88 -2.60 116.42 114.18 3kgl h ASP 168 Ca 0.14 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.99 3kgl h ASP 168 Cb 1.03 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 39.68 3kgl h ASP 168 CO 1.00 0.00 0.39 -0.83 -1.03 0.00 0.00 179.24 178.77 3kgl s GLY 169 N -3.78 1.71 -0.06 7.15 0.00 -1.26 -4.88 107.32 106.22 3kgl s GLY 169 Ca 0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 3kgl s GLY 169 CO 0.47 -0.32 0.09 -0.57 0.00 0.00 0.00 173.10 172.77 3kgl h ASN 170 N -1.61 -0.05 -4.42 1.64 -1.24 -1.91 -3.43 115.58 104.57 3kgl h ASN 170 Ca -0.45 0.00 -0.46 0.00 0.71 0.00 0.00 56.30 56.10 3kgl h ASN 170 Cb 1.26 0.01 0.12 0.00 0.73 0.00 0.00 38.32 40.45 3kgl h ASN 170 CO 0.44 0.27 0.41 0.00 -1.29 0.00 0.00 177.43 177.26 3kgl s GLN 171 N -1.59 1.51 0.35 6.67 -2.07 -1.26 -4.78 119.66 118.48 3kgl s GLN 171 Ca -0.01 -0.03 -0.28 0.00 -1.82 0.00 0.00 55.36 53.22 3kgl s GLN 171 Cb 0.00 -1.91 -0.11 0.00 -1.09 0.00 0.00 33.01 29.90 3kgl s GLN 171 CO 0.03 -1.89 1.42 -2.14 -1.32 0.00 0.00 175.29 171.38 3kgl s PRO 172 N -5.65 4.22 -0.22 9.60 0.02 -1.26 -4.77 135.00 136.93 3kgl s PRO 172 Ca 0.66 2.42 -0.15 0.00 0.02 0.00 0.00 61.00 63.94 3kgl s PRO 172 Cb -0.09 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 3kgl s PRO 172 CO 0.50 -0.39 0.38 -1.17 -0.33 0.00 0.00 177.00 175.99 3kgl s LEU 173 N -1.82 4.12 -0.28 -5.54 2.96 -0.20 -4.01 118.68 113.90 3kgl s LEU 173 Ca 0.52 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.88 3kgl s LEU 173 Cb -0.44 -2.47 0.06 0.00 0.50 0.00 0.00 46.19 43.85 3kgl s LEU 173 CO 0.57 -0.10 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.77 3kgl s VAL 174 N 1.49 2.49 -0.12 1.68 1.01 0.47 -0.64 120.40 126.78 3kgl s VAL 174 Ca 0.17 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.47 3kgl s VAL 174 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3kgl s VAL 174 CO 0.08 -0.12 0.11 -0.63 0.00 0.00 0.00 175.10 174.54 3kgl s ILE 175 N 1.14 5.26 -0.04 2.22 1.09 -0.78 -0.29 121.20 129.79 3kgl s ILE 175 Ca -0.06 0.11 0.07 0.00 -1.10 0.00 0.00 60.65 59.68 3kgl s ILE 175 Cb -0.20 -3.28 -0.01 0.00 -1.06 0.00 0.00 42.46 37.91 3kgl s ILE 175 CO -0.04 0.61 -0.25 -0.69 -0.10 0.00 0.00 174.94 174.48 3kgl s VAL 176 N -0.96 2.00 -0.01 2.92 1.01 0.16 -0.10 120.40 125.41 3kgl s VAL 176 Ca 0.14 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3kgl s VAL 176 Cb -0.12 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3kgl s VAL 176 CO 0.03 0.56 -0.01 -0.44 0.00 0.00 0.00 175.10 175.25 3kgl s SER 177 N -0.35 0.24 -0.09 3.32 0.01 -0.07 0.82 113.70 117.57 3kgl s SER 177 Ca 0.03 -0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.21 3kgl s SER 177 Cb -0.12 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 3kgl s SER 177 CO 0.01 -0.03 0.15 0.54 0.41 0.00 0.00 173.24 174.32 3kgl s VAL 178 N 0.42 5.49 -0.15 3.43 0.11 -0.68 -1.53 120.40 127.48 3kgl s VAL 178 Ca -0.04 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 3kgl s VAL 178 Cb -0.06 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 3kgl s VAL 178 CO -0.01 0.55 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.38 3kgl s LEU 179 N -1.26 2.42 -0.68 2.54 1.43 -0.59 -2.49 118.68 120.05 3kgl s LEU 179 Ca 0.18 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 3kgl s LEU 179 Cb -0.12 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.62 3kgl s LEU 179 CO 0.08 0.08 1.00 -0.62 0.23 0.00 0.00 176.35 177.11 3kgl s ASP 180 N 0.84 6.19 -0.00 2.29 -1.08 -1.10 -1.81 116.67 122.01 3kgl s ASP 180 Ca -0.05 -1.01 -0.10 0.00 -0.52 0.00 0.00 52.55 50.87 3kgl s ASP 180 Cb -0.15 -2.43 -0.32 0.00 -1.46 0.00 0.00 42.92 38.56 3kgl s ASP 180 CO -0.01 -1.45 0.86 -0.07 0.52 0.00 0.00 175.17 175.01 3kgl h LEU 181 N 11.44 0.63 -0.67 -1.34 4.07 -1.75 -3.33 115.31 124.36 3kgl h LEU 181 Ca -0.26 -0.80 -0.12 0.00 0.08 0.00 0.00 57.88 56.78 3kgl h LEU 181 Cb 1.07 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 3kgl h LEU 181 CO 1.19 1.66 -0.21 0.00 -1.08 0.00 0.00 178.44 179.99 3kgl h ALA 182 N 0.25 0.86 -1.53 1.53 0.00 -1.76 -3.45 119.26 115.16 3kgl h ALA 182 Ca -0.28 -0.37 -0.63 0.00 0.00 0.00 0.00 54.91 53.63 3kgl h ALA 182 Cb 2.10 -0.16 0.15 0.00 0.00 0.00 0.00 17.79 19.88 3kgl h ALA 182 CO 0.21 0.64 -0.82 0.45 0.00 0.00 0.00 179.25 179.73 3kgl n SER 183 N -4.12 -2.37 0.29 0.00 2.88 -1.25 -4.81 113.62 104.24 3kgl n SER 183 Ca 0.00 0.90 0.15 0.00 -1.33 0.00 0.00 58.87 58.59 3kgl n SER 183 Cb 0.43 -0.91 0.87 0.00 -0.75 0.00 0.00 64.21 63.85 3kgl n SER 183 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3kgl h HIS 184 N 0.52 0.00 0.00 0.66 2.07 -1.93 -2.77 115.15 113.70 3kgl h HIS 184 Ca -0.35 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.13 3kgl h HIS 184 Cb 1.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.42 3kgl h HIS 184 CO 0.33 0.05 -0.18 1.96 -3.07 0.00 0.00 177.93 177.01 3kgl h GLN 185 N 0.00 0.00 -6.54 5.12 4.20 -1.92 -3.39 115.11 112.58 3kgl h GLN 185 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 3kgl h GLN 185 Cb 0.14 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 3kgl h GLN 185 CO 0.01 0.18 1.01 1.21 -0.67 0.00 0.00 178.83 180.56 3kgl s ASN 186 N -6.26 6.50 0.00 1.46 2.47 -1.05 -4.77 114.94 113.30 3kgl s ASN 186 Ca -0.02 0.81 0.27 0.00 0.42 0.00 0.00 52.86 54.34 3kgl s ASN 186 Cb 0.12 -2.54 0.90 0.00 -1.45 0.00 0.00 41.25 38.28 3kgl s ASN 186 CO 0.62 -1.30 1.65 1.67 -3.72 0.00 0.00 177.10 176.02 3kgl n GLN 187 N 7.83 1.11 0.00 0.43 -0.06 -1.26 -4.67 117.38 120.76 3kgl n GLN 187 Ca 0.15 -0.63 0.00 0.00 -2.00 0.00 0.00 57.00 54.51 3kgl n GLN 187 Cb 0.48 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 25.17 3kgl n GLN 187 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3kgl n LEU 188 N -0.39 0.00 -3.98 1.69 4.32 -1.26 -5.14 117.00 112.24 3kgl n LEU 188 Ca 0.15 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.04 3kgl n LEU 188 Cb 0.34 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.07 3kgl n LEU 188 CO 0.22 0.00 -0.04 -1.81 -1.22 0.00 0.00 177.39 174.54 3kgl s ASP 189 N -1.00 0.06 0.00 -1.43 1.01 -1.26 -5.03 116.67 109.02 3kgl s ASP 189 Ca 0.00 -0.91 0.00 0.00 0.71 0.00 0.00 52.55 52.35 3kgl s ASP 189 Cb 0.00 0.43 0.00 0.00 1.01 0.00 0.00 42.92 44.36 3kgl s ASP 189 CO 0.00 -0.88 0.65 -1.14 0.21 0.00 0.00 175.17 174.00 3kgl n ARG 190 N -0.21 0.66 -4.22 8.23 3.00 -1.26 -4.73 116.66 118.13 3kgl n ARG 190 Ca -0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.52 3kgl n ARG 190 Cb 0.63 -1.02 -0.07 0.00 0.00 0.00 0.00 32.46 32.00 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 -1.29 4.75 0.20 6.15 0.01 -1.26 -4.98 114.94 118.53 3kgl s ASN 191 Ca 0.00 -0.44 -0.30 0.00 -0.71 0.00 0.00 52.86 51.41 3kgl s ASN 191 Cb 0.00 -0.99 -0.08 0.00 0.41 0.00 0.00 41.25 40.59 3kgl s ASN 191 CO 0.00 0.07 0.97 -2.16 -1.51 0.00 0.00 177.10 174.46 3kgl s PRO 192 N -3.13 4.78 -0.27 -0.60 0.04 -1.26 -5.01 135.00 129.55 3kgl s PRO 192 Ca 0.28 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 3kgl s PRO 192 Cb -0.09 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.24 3kgl s PRO 192 CO 0.19 0.38 0.06 1.03 0.04 0.00 0.00 177.00 178.70 3kgl s ARG 193 N -0.81 0.84 0.26 4.56 0.52 -1.26 -4.99 118.95 118.07 3kgl s ARG 193 Ca 0.43 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.44 3kgl s ARG 193 Cb -0.26 -2.14 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 3kgl s ARG 193 CO 0.32 -0.84 1.14 -2.14 0.02 0.00 0.00 175.30 173.80 3kgl s PRO 194 N 1.63 4.58 -0.28 3.54 0.02 -1.26 -3.58 135.00 139.65 3kgl s PRO 194 Ca 0.05 1.85 -0.03 0.00 0.02 0.00 0.00 61.00 62.89 3kgl s PRO 194 Cb -0.17 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.19 3kgl s PRO 194 CO -0.18 0.11 -0.01 -0.06 -0.33 0.00 0.00 177.00 176.53 3kgl s PHE 195 N -0.90 3.16 -0.23 6.54 0.08 0.13 -4.97 117.98 121.79 3kgl s PHE 195 Ca 0.47 -1.59 -0.19 0.00 0.12 0.00 0.00 56.93 55.74 3kgl s PHE 195 Cb -0.33 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.99 3kgl s PHE 195 CO 0.41 -0.74 0.55 0.71 -0.10 0.00 0.00 175.22 176.05 3kgl s TYR 196 N 1.32 3.31 -0.06 0.36 2.02 -1.26 -1.46 117.35 121.59 3kgl s TYR 196 Ca -0.02 0.74 0.12 0.00 -0.37 0.00 0.00 57.07 57.55 3kgl s TYR 196 Cb -0.18 -2.74 -0.02 0.00 -0.40 0.00 0.00 41.96 38.62 3kgl s TYR 196 CO -0.02 -0.22 1.39 -0.07 -1.57 0.00 0.00 175.55 175.06 3kgl h LEU 197 N 8.50 0.00 0.00 -1.29 4.07 -1.67 0.18 115.31 125.10 3kgl h LEU 197 Ca -0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3kgl h LEU 197 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 3kgl h LEU 197 CO 0.74 0.67 -0.03 0.00 -1.08 0.00 0.00 178.44 178.74 3kgl n ALA 198 N -2.27 3.00 -1.66 1.53 0.00 -1.26 -4.50 120.51 115.34 3kgl n ALA 198 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 3kgl n ALA 198 Cb 0.80 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 1.87 0.28 3.85 0.00 0.00 -1.26 -4.60 105.19 105.33 3kgl n GLY 199 Ca 0.00 0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.50 6.75 -0.33 1.61 2.47 -1.25 -3.54 114.94 120.17 3kgl s ASN 200 Ca 0.59 0.93 0.03 0.00 0.42 0.00 0.00 52.86 54.84 3kgl s ASN 200 Cb -0.57 -2.23 0.10 0.00 -1.45 0.00 0.00 41.25 37.09 3kgl s ASN 200 CO 0.60 0.20 0.04 0.21 -3.72 0.00 0.00 177.10 174.42 3kgl s ASN 201 N -1.55 4.66 0.31 -4.21 2.47 0.22 -3.17 114.94 113.67 3kgl s ASN 201 Ca 0.32 -2.02 0.26 0.00 0.42 0.00 0.00 52.86 51.83 3kgl s ASN 201 Cb -0.15 -1.55 0.96 0.00 -1.45 0.00 0.00 41.25 39.06 3kgl s ASN 201 CO 0.17 -0.36 1.77 -0.65 -3.72 0.00 0.00 177.10 174.31 3kgl h PRO 202 N 7.67 0.00 0.00 0.43 0.11 -1.85 0.56 132.00 138.92 3kgl h PRO 202 Ca -0.07 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 3kgl h PRO 202 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3kgl h PRO 202 CO 0.51 0.00 -0.53 1.96 -0.21 0.00 0.00 178.00 179.73 3kgl h GLN 203 N 0.00 0.00 0.00 1.05 4.20 -1.92 -3.39 115.11 115.06 3kgl h GLN 203 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kgl h GLN 203 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3kgl h GLN 203 CO 0.00 0.53 0.00 0.41 -0.67 0.00 0.00 178.83 179.10 3kgl n GLY 204 N 0.99 -1.96 2.73 3.46 0.00 -1.01 -4.50 105.19 104.90 3kgl n GLY 204 Ca 0.01 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.03 4.00 0.10 1.61 6.02 -1.26 -4.73 117.38 123.09 3kgl n GLN 205 Ca 0.00 -3.54 0.11 0.00 -0.01 0.00 0.00 57.00 53.56 3kgl n GLN 205 Cb 0.00 -2.81 0.45 0.00 1.02 0.00 0.00 30.24 28.90 3kgl n GLN 205 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3kgl n VAL 206 N 2.69 0.89 0.90 5.09 0.24 -1.26 -1.62 118.33 125.25 3kgl n VAL 206 Ca 0.47 0.26 0.12 0.00 -2.04 0.00 0.00 64.34 63.15 3kgl n VAL 206 Cb 0.32 -1.15 0.29 0.00 -1.47 0.00 0.00 33.84 31.83 3kgl n VAL 206 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 3kgl n TRP 207 N -2.07 0.14 -3.92 6.34 2.14 -1.26 -4.82 117.44 114.00 3kgl n TRP 207 Ca 0.02 0.04 -0.26 0.00 2.07 0.00 0.00 57.50 59.37 3kgl n TRP 207 Cb 0.21 -0.39 -0.03 0.00 -0.81 0.00 0.00 31.31 30.28 3kgl n TRP 207 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3kgl s ILE 208 N -3.04 5.31 0.00 -1.67 1.01 -0.64 -4.85 121.20 117.32 3kgl s ILE 208 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3kgl s ILE 208 Cb 0.17 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.89 3kgl s ILE 208 CO 0.68 -0.10 0.66 -0.62 0.00 0.00 0.00 174.94 175.55 3kgl n GLU 209 N -0.57 0.00 -1.39 2.79 1.02 -1.26 -4.23 120.64 117.00 3kgl n GLU 209 Ca -0.07 0.23 -0.27 0.00 -0.02 0.00 0.00 57.16 57.03 3kgl n GLU 209 Cb 0.54 -1.18 -0.00 0.00 -0.02 0.00 0.00 31.44 30.78 3kgl n GLU 209 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgl n GLY 210 N -0.44 4.66 0.22 0.62 0.00 -1.26 -4.51 105.19 104.48 3kgl n GLY 210 Ca 0.00 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.30 3kgl n GLY 210 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kgl h ARG 211 N 2.49 0.00 -6.53 1.61 2.47 -1.84 -3.48 114.38 109.09 3kgl h ARG 211 Ca 0.42 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.63 3kgl h ARG 211 Cb 0.67 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.89 3kgl h ARG 211 CO 1.02 0.08 -0.85 0.39 0.56 0.00 0.00 179.97 181.18 3kgl n GLU 212 N -3.13 -3.67 -3.85 0.04 1.02 -1.26 -2.58 120.64 107.21 3kgl n GLU 212 Ca 0.03 0.43 -0.28 0.00 -0.02 0.00 0.00 57.16 57.33 3kgl n GLU 212 Cb 0.53 -4.90 0.03 0.00 -0.02 0.00 0.00 31.44 27.08 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 -4.43 -5.52 -3.44 3.49 6.02 -1.26 -4.94 117.38 107.30 3kgl n GLN 213 Ca -0.12 0.61 -0.38 0.00 -0.01 0.00 0.00 57.00 57.10 3kgl n GLN 213 Cb 0.59 -5.44 -0.06 0.00 1.02 0.00 0.00 30.24 26.36 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 -6.47 3.99 0.68 -1.09 -0.21 -1.06 -4.99 119.66 110.50 3kgl s GLN 214 Ca 0.51 0.49 -0.15 0.00 0.02 0.00 0.00 55.36 56.23 3kgl s GLN 214 Cb -0.25 -3.20 0.01 0.00 1.00 0.00 0.00 33.01 30.57 3kgl s GLN 214 CO 0.82 0.66 1.14 -2.14 -2.12 0.00 0.00 175.29 173.66 3kgl s PRO 215 N -1.18 2.58 -0.29 2.91 0.02 -1.26 -3.88 135.00 133.89 3kgl s PRO 215 Ca 0.26 1.53 -0.03 0.00 0.02 0.00 0.00 61.00 62.78 3kgl s PRO 215 Cb -0.17 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.47 3kgl s PRO 215 CO 0.15 -1.45 0.01 -1.14 -0.33 0.00 0.00 177.00 174.25 3kgl s GLN 216 N -4.00 2.69 0.45 5.54 0.74 0.19 -4.82 119.66 120.46 3kgl s GLN 216 Ca 0.70 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 55.01 3kgl s GLN 216 Cb -0.24 -3.20 -0.00 0.00 1.10 0.00 0.00 33.01 30.67 3kgl s GLN 216 CO 0.42 -0.53 0.67 0.15 -0.55 0.00 0.00 175.29 175.45 3kgl s LYS 217 N 1.34 3.08 1.09 1.67 3.01 -1.26 0.71 119.74 129.38 3kgl s LYS 217 Ca -0.02 -0.47 -0.14 0.00 -1.01 0.00 0.00 55.97 54.33 3kgl s LYS 217 Cb -0.18 -2.55 0.24 0.00 -1.01 0.00 0.00 37.83 34.32 3kgl s LYS 217 CO -0.01 -0.26 1.07 0.54 0.51 0.00 0.00 175.35 177.20 3kgl s ASN 218 N -4.21 1.80 0.15 2.83 2.20 -1.23 -4.77 114.94 111.70 3kgl s ASN 218 Ca 0.48 1.13 -0.16 0.00 -0.94 0.00 0.00 52.86 53.37 3kgl s ASN 218 Cb -0.10 -1.76 0.01 0.00 -2.00 0.00 0.00 41.25 37.40 3kgl s ASN 218 CO 0.38 -3.64 1.78 0.40 -2.94 0.00 0.00 177.10 173.08 3kgl h ILE 219 N -2.24 1.13 -0.85 0.54 2.04 -0.86 -2.68 117.51 114.59 3kgl h ILE 219 Ca -0.55 -0.29 0.18 0.00 1.00 0.00 0.00 64.86 65.21 3kgl h ILE 219 Cb 1.33 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 3kgl h ILE 219 CO 0.52 0.13 0.56 -0.07 0.00 0.00 0.00 178.15 179.29 3kgl h LEU 220 N 0.52 0.41 -2.50 1.44 4.07 -1.83 -1.48 115.31 115.94 3kgl h LEU 220 Ca 0.14 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.14 3kgl h LEU 220 Cb -0.00 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 3kgl h LEU 220 CO -0.03 0.18 0.16 -1.13 -1.08 0.00 0.00 178.44 176.54 3kgl h ASN 221 N 0.42 0.00 0.66 -0.43 -0.73 -1.70 -2.64 115.58 111.16 3kgl h ASN 221 Ca 0.43 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.60 3kgl h ASN 221 Cb 1.03 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.62 3kgl h ASN 221 CO -0.15 0.00 -0.41 0.61 -0.37 0.00 0.00 177.43 177.11 3kgl n GLY 222 N -1.18 -1.33 3.88 1.57 0.00 -0.56 -4.80 105.19 102.78 3kgl n GLY 222 Ca -0.02 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.02 3.48 0.44 1.61 0.08 -1.00 -5.07 117.98 114.49 3kgl s PHE 223 Ca 0.11 0.28 -0.25 0.00 0.12 0.00 0.00 56.93 57.18 3kgl s PHE 223 Cb 0.17 -1.77 -0.08 0.00 -0.57 0.00 0.00 43.02 40.76 3kgl s PHE 223 CO 0.67 0.60 1.39 0.95 -0.10 0.00 0.00 175.22 178.73 3kgl s THR 224 N -1.38 2.24 0.54 0.64 -4.23 -1.26 -4.87 115.64 107.32 3kgl s THR 224 Ca 0.30 0.21 0.28 0.00 -1.18 0.00 0.00 61.69 61.30 3kgl s THR 224 Cb -0.13 -3.12 0.43 0.00 1.34 0.00 0.00 72.50 71.02 3kgl s THR 224 CO 0.22 0.03 1.95 -0.65 -0.54 0.00 0.00 174.62 175.63 3kgl h PRO 225 N 2.43 0.00 0.09 3.99 0.11 -1.92 -2.58 132.00 134.12 3kgl h PRO 225 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kgl h PRO 225 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kgl h PRO 225 CO 0.62 0.00 -0.04 1.05 -0.21 0.00 0.00 178.00 179.41 3kgl h GLU 226 N 0.00 -0.12 -0.86 1.05 9.09 -1.89 -1.35 114.58 120.51 3kgl h GLU 226 Ca 0.31 0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.74 3kgl h GLU 226 Cb 1.28 0.03 -0.04 0.00 -1.65 0.00 0.00 28.75 28.37 3kgl h GLU 226 CO -0.00 0.31 0.57 -0.24 0.05 0.00 0.00 179.01 179.70 3kgl h VAL 227 N -0.59 1.22 -0.69 -1.06 3.04 -1.87 -0.23 116.25 116.06 3kgl h VAL 227 Ca -0.01 -0.40 -0.03 0.00 -1.01 0.00 0.00 66.70 65.25 3kgl h VAL 227 Cb 0.49 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.69 3kgl h VAL 227 CO 0.02 0.21 0.31 0.25 -1.01 0.00 0.00 177.57 177.35 3kgl h LEU 228 N 1.16 0.93 -0.32 3.16 5.85 -1.43 0.15 115.31 124.80 3kgl h LEU 228 Ca 0.31 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kgl h LEU 228 Cb -0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 3kgl h LEU 228 CO -0.07 0.82 0.10 0.00 -0.34 0.00 0.00 178.44 178.96 3kgl h ALA 229 N 1.14 0.42 -0.43 1.25 0.00 -0.40 0.70 119.26 121.96 3kgl h ALA 229 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kgl h ALA 229 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kgl h ALA 229 CO -0.03 0.06 0.18 0.87 0.00 0.00 0.00 179.25 180.33 3kgl h LYS 230 N 0.37 0.60 -0.04 0.00 1.57 -0.63 0.55 116.57 118.99 3kgl h LYS 230 Ca 0.10 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3kgl h LYS 230 Cb 0.24 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.45 3kgl h LYS 230 CO -0.00 0.49 -0.59 0.00 -0.57 0.00 0.00 179.45 178.78 3kgl h ALA 231 N 1.60 0.12 -0.04 3.86 0.00 -0.36 -3.24 119.26 121.20 3kgl h ALA 231 Ca 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kgl h ALA 231 Cb 0.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kgl h ALA 231 CO -0.02 0.38 0.00 1.19 0.00 0.00 0.00 179.25 180.80 3kgl n PHE 232 N -4.20 0.03 -4.00 0.00 3.72 0.21 -4.92 117.46 108.30 3kgl n PHE 232 Ca -0.10 -0.02 -0.28 0.00 -0.05 0.00 0.00 57.45 57.01 3kgl n PHE 232 Cb 0.66 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.15 -3.45 -4.54 -1.08 4.76 0.19 -4.95 118.16 109.25 3kgl n LYS 233 Ca 0.19 0.41 -0.25 0.00 -2.87 0.00 0.00 58.31 55.79 3kgl n LYS 233 Cb 0.34 -4.72 -0.09 0.00 -1.84 0.00 0.00 35.03 28.72 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 -3.78 1.00 0.14 -0.18 -4.36 -0.78 -5.04 121.20 108.19 3kgl s ILE 234 Ca 0.19 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.28 3kgl s ILE 234 Cb -0.10 -2.52 -0.07 0.00 1.25 0.00 0.00 42.46 41.01 3kgl s ILE 234 CO 0.89 0.00 1.23 -0.62 0.24 0.00 0.00 174.94 176.68 3kgl s ASP 235 N -3.61 7.04 0.61 4.36 2.15 -1.26 -4.64 116.67 121.31 3kgl s ASP 235 Ca 0.26 2.19 0.27 0.00 0.43 0.00 0.00 52.55 55.71 3kgl s ASP 235 Cb 0.05 -2.60 1.36 0.00 -0.30 0.00 0.00 42.92 41.44 3kgl s ASP 235 CO 0.13 -0.44 1.78 0.58 -0.17 0.00 0.00 175.17 177.05 3kgl h VAL 236 N 4.03 0.21 0.06 1.11 2.07 -1.92 0.16 116.25 121.96 3kgl h VAL 236 Ca -0.43 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.84 3kgl h VAL 236 Cb 1.21 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3kgl h VAL 236 CO 0.78 0.00 -1.07 0.03 0.02 0.00 0.00 177.57 177.33 3kgl h ARG 237 N 0.00 0.30 -0.04 1.57 3.08 -1.93 -2.91 114.38 114.45 3kgl h ARG 237 Ca 0.18 -0.40 -0.16 0.00 0.07 0.00 0.00 59.98 59.67 3kgl h ARG 237 Cb 1.31 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 3kgl h ARG 237 CO -0.00 1.13 -0.70 1.15 -1.07 0.00 0.00 179.97 180.47 3kgl h THR 238 N 0.13 1.44 -0.37 2.04 2.02 -1.11 -3.13 112.91 113.93 3kgl h THR 238 Ca -0.10 -2.24 -0.09 0.00 0.77 0.00 0.00 66.41 64.76 3kgl h THR 238 Cb 1.75 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 70.33 3kgl h THR 238 CO 0.18 0.65 -0.13 0.00 0.37 0.00 0.00 175.52 176.59 3kgl h ALA 239 N 1.14 1.08 -0.62 6.16 0.00 -1.23 -1.98 119.26 123.81 3kgl h ALA 239 Ca -0.02 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.68 3kgl h ALA 239 Cb 1.25 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3kgl h ALA 239 CO 0.11 0.57 0.24 1.96 0.00 0.00 0.00 179.25 182.13 3kgl h GLN 240 N 0.60 0.42 -0.48 0.00 4.20 -1.45 -2.69 115.11 115.71 3kgl h GLN 240 Ca 0.10 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3kgl h GLN 240 Cb 0.57 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3kgl h GLN 240 CO 0.04 0.28 0.17 1.96 -0.67 0.00 0.00 178.83 180.60 3kgl h GLN 241 N 0.43 0.69 -0.32 1.46 4.20 -1.36 -1.55 115.11 118.67 3kgl h GLN 241 Ca 0.31 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.96 3kgl h GLN 241 Cb 0.38 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3kgl h GLN 241 CO -0.30 0.59 0.22 -0.07 -0.67 0.00 0.00 178.83 178.60 3kgl h LEU 242 N 0.68 0.20 0.00 1.46 3.38 -1.20 -2.45 115.31 117.39 3kgl h LEU 242 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kgl h LEU 242 Cb 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kgl h LEU 242 CO -0.01 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3kgl n GLN 243 N -4.48 0.68 -2.77 1.13 6.02 -0.58 -4.79 117.38 112.58 3kgl n GLN 243 Ca 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.98 3kgl n GLN 243 Cb 0.22 -1.19 -0.01 0.00 1.02 0.00 0.00 30.24 30.28 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 -0.69 0.11 -4.69 1.08 3.02 -0.92 -4.48 115.26 108.69 3kgl n ASN 244 Ca 0.06 -0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.01 3kgl n ASN 244 Cb 0.03 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3kgl n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgl s GLN 245 N -3.64 4.30 0.00 3.52 -2.07 -1.26 -2.81 119.66 117.69 3kgl s GLN 245 Ca 0.00 1.97 0.00 0.00 -1.82 0.00 0.00 55.36 55.51 3kgl s GLN 245 Cb -0.00 -3.51 0.00 0.00 -1.09 0.00 0.00 33.01 28.41 3kgl s GLN 245 CO 0.14 -0.54 0.00 1.04 -1.32 0.00 0.00 175.29 174.61 3kgl n GLN 246 N 5.09 0.00 -1.67 9.60 1.13 -1.26 -4.99 117.38 125.27 3kgl n GLN 246 Ca 0.13 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.74 3kgl n GLN 246 Cb 0.44 -1.93 -0.04 0.00 0.11 0.00 0.00 30.24 28.82 3kgl n GLN 246 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3kgl n ASP 247 N 0.00 3.86 -1.67 1.08 2.03 -1.12 -4.89 116.55 115.84 3kgl n ASP 247 Ca 0.00 0.96 -0.02 0.00 0.52 0.00 0.00 54.79 56.24 3kgl n ASP 247 Cb 0.00 -1.48 0.29 0.00 -0.72 0.00 0.00 41.12 39.21 3kgl n ASP 247 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3kgl n ASN 248 N 6.51 4.39 0.18 1.67 4.13 -1.26 -4.40 115.26 126.48 3kgl n ASN 248 Ca 0.20 -3.24 0.11 0.00 1.68 0.00 0.00 54.58 53.32 3kgl n ASN 248 Cb 0.36 -0.69 0.11 0.00 -1.54 0.00 0.00 39.78 38.02 3kgl n ASN 248 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3kgl h ARG 249 N 2.34 0.00 0.00 3.52 3.08 -1.90 -3.43 114.38 117.99 3kgl h ARG 249 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3kgl h ARG 249 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.11 3kgl h ARG 249 CO 0.58 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.94 3kgl n GLY 250 N 1.14 -0.66 0.02 0.04 0.00 -1.19 -0.18 105.19 104.36 3kgl n GLY 250 Ca 0.03 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.14 0.90 -4.22 1.61 2.85 -1.24 -3.77 115.26 111.25 3kgl n ASN 251 Ca 0.00 -0.95 -0.37 0.00 -0.11 0.00 0.00 54.58 53.15 3kgl n ASN 251 Cb 0.00 0.97 -0.13 0.00 1.24 0.00 0.00 39.78 41.87 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 -2.68 3.45 0.26 -1.44 1.01 -1.26 -1.41 121.20 119.13 3kgl s ILE 252 Ca 0.07 -1.32 0.09 0.00 0.00 0.00 0.00 60.65 59.49 3kgl s ILE 252 Cb 0.14 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3kgl s ILE 252 CO 0.73 -0.21 0.02 0.27 0.00 0.00 0.00 174.94 175.75 3kgl s ILE 253 N 1.32 3.59 -0.21 2.92 -4.36 0.88 -0.87 121.20 124.47 3kgl s ILE 253 Ca -0.02 -1.81 -0.29 0.00 -0.26 0.00 0.00 60.65 58.27 3kgl s ILE 253 Cb -0.20 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.60 3kgl s ILE 253 CO 0.01 -0.35 1.07 -0.60 0.24 0.00 0.00 174.94 175.31 3kgl s ARG 254 N -3.63 4.27 -0.46 0.37 3.52 -1.26 -0.97 118.95 120.78 3kgl s ARG 254 Ca 0.31 1.41 -0.24 0.00 -0.13 0.00 0.00 55.73 57.08 3kgl s ARG 254 Cb -0.07 -3.65 0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3kgl s ARG 254 CO 0.20 -0.62 0.84 0.08 -0.81 0.00 0.00 175.30 175.00 3kgl s VAL 255 N 3.15 4.57 -0.10 7.11 1.01 0.02 -4.96 120.40 131.19 3kgl s VAL 255 Ca 0.46 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 3kgl s VAL 255 Cb -0.16 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 3kgl s VAL 255 CO 0.08 -0.80 0.97 -1.10 0.00 0.00 0.00 175.10 174.26 3kgl s GLN 256 N 3.49 4.43 0.29 2.72 -1.52 -1.26 -4.94 119.66 122.87 3kgl s GLN 256 Ca 0.32 1.33 0.00 0.00 -1.95 0.00 0.00 55.36 55.06 3kgl s GLN 256 Cb -0.12 -3.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.14 3kgl s GLN 256 CO 0.23 -0.27 0.00 0.41 -0.25 0.00 0.00 175.29 175.42 3kgl n GLY 257 N 3.11 -1.82 3.28 3.09 0.00 -1.26 -4.83 105.19 106.76 3kgl n GLY 257 Ca 0.07 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3kgl n GLY 257 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kgl n PRO 258 N 0.00 2.38 -0.38 1.61 -0.04 -1.26 -4.82 135.00 132.49 3kgl n PRO 258 Ca 0.00 -2.62 -0.03 0.00 -0.04 0.00 0.00 63.50 60.80 3kgl n PRO 258 Cb 0.00 -3.38 -0.05 0.00 -0.04 0.00 0.00 33.50 30.03 3kgl n PRO 258 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3kgl n PHE 259 N 9.10 0.00 -2.01 0.54 7.35 -1.26 -4.78 117.46 126.40 3kgl n PHE 259 Ca 0.49 -0.62 -0.26 0.00 -0.76 0.00 0.00 57.45 56.30 3kgl n PHE 259 Cb 0.43 -0.73 -0.06 0.00 0.35 0.00 0.00 39.48 39.48 3kgl n PHE 259 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3kgl s SER 260 N 2.30 4.94 -0.02 -2.13 1.04 -1.26 -4.69 113.70 113.89 3kgl s SER 260 Ca 0.19 -1.08 0.18 0.00 0.48 0.00 0.00 55.95 55.72 3kgl s SER 260 Cb 0.09 -2.57 -0.24 0.00 0.10 0.00 0.00 66.02 63.39 3kgl s SER 260 CO 0.00 -3.05 0.52 0.52 0.98 0.00 0.00 173.24 172.21 3kgl n VAL 261 N 7.95 0.00 -3.66 5.02 0.31 -1.26 -4.78 118.33 121.91 3kgl n VAL 261 Ca 0.43 -0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 64.24 3kgl n VAL 261 Cb 0.47 0.44 -0.18 0.00 -0.91 0.00 0.00 33.84 33.66 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 -3.01 -0.02 0.00 2.52 1.01 -1.26 -4.81 121.20 115.63 3kgl s ILE 262 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3kgl s ILE 262 Cb 0.12 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.22 3kgl s ILE 262 CO 0.73 0.02 0.00 0.54 0.00 0.00 0.00 174.94 176.23 3kgl n ARG 263 N 5.26 0.00 -3.95 2.79 5.12 -1.26 -4.88 116.66 119.75 3kgl n ARG 263 Ca -0.05 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.52 3kgl n ARG 263 Cb 0.50 -0.22 -0.14 0.00 -1.16 0.00 0.00 32.46 31.43 3kgl n ARG 263 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3kgl s PRO 264 N 0.00 3.23 -0.16 5.56 0.05 -1.26 -5.07 135.00 137.35 3kgl s PRO 264 Ca 0.00 -0.71 -0.27 0.00 0.05 0.00 0.00 61.00 60.07 3kgl s PRO 264 Cb 0.00 -2.93 -0.01 0.00 0.05 0.00 0.00 34.50 31.61 3kgl s PRO 264 CO 0.00 -0.23 0.89 -2.14 0.05 0.00 0.00 177.00 175.57 3kgl s PRO 265 N 1.42 4.33 -0.21 0.56 0.02 -1.26 -5.03 135.00 134.83 3kgl s PRO 265 Ca 0.05 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.20 3kgl s PRO 265 Cb -0.14 -3.57 -0.13 0.00 0.02 0.00 0.00 34.50 30.67 3kgl s PRO 265 CO -0.05 -0.34 -0.20 1.28 -0.33 0.00 0.00 177.00 177.35 3kgl n LEU 266 N 5.24 2.82 0.00 -5.54 4.32 -1.26 -5.28 117.00 117.30 3kgl n LEU 266 Ca 0.06 -0.07 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 3kgl n LEU 266 Cb 0.49 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 3kgl n LEU 266 CO 0.49 0.81 0.00 0.35 -1.22 0.00 0.00 177.39 177.83 3kgl n THR 281 N -3.22 0.00 -2.94 -5.08 -2.24 -1.26 -5.28 114.28 94.26 3kgl n THR 281 Ca -0.38 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 3kgl n THR 281 Cb 0.89 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.37 4.49 -0.08 2.28 1.01 -1.26 -4.82 121.20 122.46 3kgl s ILE 282 Ca 0.00 -0.49 0.21 0.00 0.00 0.00 0.00 60.65 60.37 3kgl s ILE 282 Cb 0.00 -4.60 -0.29 0.00 0.01 0.00 0.00 42.46 37.58 3kgl s ILE 282 CO 0.00 -1.31 0.48 0.00 0.00 0.00 0.00 174.94 174.11 3kgl n SER 284 N -2.39 4.18 -4.90 0.00 3.41 -1.26 -5.05 113.62 107.61 3kgl n SER 284 Ca -0.08 -3.51 -0.29 0.00 -0.26 0.00 0.00 58.87 54.73 3kgl n SER 284 Cb 0.66 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.26 3kgl n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kgl s ALA 285 N -3.52 2.70 -0.16 7.33 0.00 -1.26 -5.04 121.76 121.81 3kgl s ALA 285 Ca 0.45 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 3kgl s ALA 285 Cb 0.41 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 3kgl s ALA 285 CO -0.09 -1.58 0.78 0.50 0.00 0.00 0.00 175.76 175.37 3kgl s ARG 286 N -5.54 4.30 -0.00 0.00 3.52 -1.26 -4.94 118.95 115.04 3kgl s ARG 286 Ca 0.61 0.94 0.02 0.00 -0.13 0.00 0.00 55.73 57.17 3kgl s ARG 286 Cb -0.11 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3kgl s ARG 286 CO 0.49 -0.26 0.09 0.00 -0.81 0.00 0.00 175.30 174.81 3kgl s THR 288 N -1.34 3.49 -0.16 0.00 2.01 -1.26 -1.72 115.64 116.66 3kgl s THR 288 Ca 0.01 -1.81 -0.30 0.00 0.31 0.00 0.00 61.69 59.90 3kgl s THR 288 Cb 0.02 -2.83 0.13 0.00 0.01 0.00 0.00 72.50 69.82 3kgl s THR 288 CO 0.09 -0.31 1.01 -0.62 -0.69 0.00 0.00 174.62 174.11 3kgl s ASP 289 N -3.49 -0.34 -0.25 3.53 -1.08 -0.88 -4.96 116.67 109.20 3kgl s ASP 289 Ca 0.30 0.34 -0.06 0.00 -0.52 0.00 0.00 52.55 52.62 3kgl s ASP 289 Cb -0.07 0.29 -0.01 0.00 -1.46 0.00 0.00 42.92 41.67 3kgl s ASP 289 CO 0.19 -0.34 0.03 0.21 0.52 0.00 0.00 175.17 175.78 3kgl s ASN 290 N -1.23 4.80 0.04 -0.34 3.84 -1.26 0.21 114.94 121.00 3kgl s ASN 290 Ca -0.00 -0.45 0.25 0.00 0.21 0.00 0.00 52.86 52.87 3kgl s ASN 290 Cb -0.01 -1.83 0.52 0.00 -0.55 0.00 0.00 41.25 39.38 3kgl s ASN 290 CO 0.00 -0.08 1.43 0.18 -2.79 0.00 0.00 177.10 175.84 3kgl n LEU 291 N 4.85 0.52 -0.01 3.21 4.77 -0.09 -3.27 117.00 126.99 3kgl n LEU 291 Ca -0.16 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3kgl n LEU 291 Cb 0.50 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3kgl n LEU 291 CO 0.30 0.05 0.49 0.47 -1.33 0.00 0.00 177.39 177.37 3kgl n ASP 292 N -1.72 0.02 -4.33 -1.43 8.00 -1.26 -4.66 116.55 111.17 3kgl n ASP 292 Ca 0.05 -1.99 -0.46 0.00 0.71 0.00 0.00 54.79 53.11 3kgl n ASP 292 Cb 0.37 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.99 6.20 0.33 -2.24 -1.08 -1.20 -4.95 116.67 112.75 3kgl s ASP 293 Ca 0.00 -1.69 0.25 0.00 -0.52 0.00 0.00 52.55 50.59 3kgl s ASP 293 Cb 0.00 -2.24 1.19 0.00 -1.46 0.00 0.00 42.92 40.41 3kgl s ASP 293 CO 0.00 -0.94 1.75 -0.65 0.52 0.00 0.00 175.17 175.84 3kgl h PRO 294 N 8.97 0.00 0.00 4.34 0.11 -1.91 -2.08 132.00 141.43 3kgl h PRO 294 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kgl h PRO 294 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kgl h PRO 294 CO 1.06 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.28 3kgl n SER 295 N -2.35 0.36 -2.26 -2.05 7.64 -1.26 -3.08 113.62 110.62 3kgl n SER 295 Ca -0.00 0.57 -0.26 0.00 1.01 0.00 0.00 58.87 60.19 3kgl n SER 295 Cb 0.13 -0.65 0.01 0.00 -1.01 0.00 0.00 64.21 62.69 3kgl n SER 295 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kgl n ASN 296 N -1.88 5.01 -4.67 6.43 4.13 -0.78 -5.06 115.26 118.44 3kgl n ASN 296 Ca 0.04 -3.74 -0.28 0.00 1.68 0.00 0.00 54.58 52.27 3kgl n ASN 296 Cb 0.25 -0.44 -0.08 0.00 -1.54 0.00 0.00 39.78 37.98 3kgl n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kgl s ALA 297 N -3.60 3.23 0.12 5.41 0.00 -1.18 -4.34 121.76 121.41 3kgl s ALA 297 Ca 0.50 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 3kgl s ALA 297 Cb 0.41 -1.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 3kgl s ALA 297 CO -0.08 0.59 1.41 -0.44 0.00 0.00 0.00 175.76 177.24 3kgl h ASP 298 N 3.09 0.97 -3.53 0.00 3.32 -1.64 -3.45 116.42 115.18 3kgl h ASP 298 Ca -0.48 -0.53 -0.33 0.00 0.02 0.00 0.00 57.03 55.72 3kgl h ASP 298 Cb 1.18 -0.28 -0.33 0.00 0.22 0.00 0.00 39.33 40.12 3kgl h ASP 298 CO 0.58 1.31 -0.74 0.54 -1.72 0.00 0.00 179.24 179.21 3kgl s VAL 299 N -4.16 0.15 -0.40 -1.35 0.11 -1.18 -5.03 120.40 108.54 3kgl s VAL 299 Ca -0.11 0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 3kgl s VAL 299 Cb 0.10 -0.24 0.16 0.00 -1.53 0.00 0.00 36.38 34.87 3kgl s VAL 299 CO 0.89 0.13 0.31 -0.47 -3.33 0.00 0.00 175.10 172.63 3kgl s TYR 300 N 0.91 1.04 -0.56 1.54 5.04 -1.26 -1.77 117.35 122.29 3kgl s TYR 300 Ca -0.09 -2.18 -0.18 0.00 -2.44 0.00 0.00 57.07 52.18 3kgl s TYR 300 Cb -0.12 -0.95 0.09 0.00 0.35 0.00 0.00 41.96 41.33 3kgl s TYR 300 CO -0.02 -0.82 0.64 0.15 -1.34 0.00 0.00 175.55 174.16 3kgl s LYS 301 N 0.28 3.05 0.37 4.97 1.02 -0.70 -4.96 119.74 123.77 3kgl s LYS 301 Ca 0.29 -1.26 0.27 0.00 0.02 0.00 0.00 55.97 55.29 3kgl s LYS 301 Cb -0.03 -4.22 1.14 0.00 -0.52 0.00 0.00 37.83 34.20 3kgl s LYS 301 CO -0.15 -1.41 1.82 -1.35 -0.92 0.00 0.00 175.35 173.34 3kgl h PRO 302 N 9.08 0.00 -0.32 -1.68 0.11 -1.98 1.82 132.00 139.04 3kgl h PRO 302 Ca -0.29 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.70 3kgl h PRO 302 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kgl h PRO 302 CO 1.05 0.00 -0.27 -0.56 -0.21 0.00 0.00 178.00 178.01 3kgl h GLN 303 N 0.00 0.74 0.03 1.05 3.07 -2.03 -3.41 115.11 114.55 3kgl h GLN 303 Ca 0.00 -0.37 -0.38 0.00 0.09 0.00 0.00 58.65 57.98 3kgl h GLN 303 Cb 0.41 0.01 -0.05 0.00 0.08 0.00 0.00 27.48 27.93 3kgl h GLN 303 CO 0.00 0.99 -2.20 1.28 0.09 0.00 0.00 178.83 178.99 3kgl n LEU 304 N -4.25 2.41 0.00 0.06 4.32 0.11 -4.80 117.00 114.85 3kgl n LEU 304 Ca -0.03 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 3kgl n LEU 304 Cb 0.46 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.33 3kgl n LEU 304 CO 0.45 0.70 0.00 0.61 -1.22 0.00 0.00 177.39 177.93 3kgl n GLY 305 N 1.76 0.80 3.31 -0.72 0.00 0.58 -1.60 105.19 109.32 3kgl n GLY 305 Ca -0.44 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.30 1.49 -0.08 1.61 -0.85 -0.38 -1.71 117.35 115.13 3kgl s TYR 306 Ca 0.00 -0.91 0.00 0.00 -0.52 0.00 0.00 57.07 55.64 3kgl s TYR 306 Cb 0.00 -0.85 0.02 0.00 0.38 0.00 0.00 41.96 41.51 3kgl s TYR 306 CO 0.00 -0.04 -0.06 0.42 -1.52 0.00 0.00 175.55 174.35 3kgl s ILE 307 N -3.43 0.79 0.28 -3.49 1.01 -0.73 -1.92 121.20 113.71 3kgl s ILE 307 Ca 0.26 -0.19 0.09 0.00 0.00 0.00 0.00 60.65 60.81 3kgl s ILE 307 Cb 0.05 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3kgl s ILE 307 CO 0.07 0.31 0.04 -0.55 0.00 0.00 0.00 174.94 174.81 3kgl s SER 308 N 1.38 4.66 -0.11 3.58 0.15 0.78 -1.59 113.70 122.54 3kgl s SER 308 Ca -0.03 -0.64 -0.10 0.00 0.70 0.00 0.00 55.95 55.89 3kgl s SER 308 Cb -0.14 -0.87 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 3kgl s SER 308 CO -0.03 -0.06 0.30 -0.89 1.20 0.00 0.00 173.24 173.75 3kgl s THR 309 N -2.33 -0.00 -1.02 6.45 2.01 -1.26 -1.77 115.64 117.72 3kgl s THR 309 Ca 0.33 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.28 3kgl s THR 309 Cb -0.06 -0.42 0.25 0.00 0.01 0.00 0.00 72.50 72.29 3kgl s THR 309 CO 0.21 0.01 0.98 -0.76 -0.69 0.00 0.00 174.62 174.36 3kgl s LEU 310 N 0.29 6.06 0.00 4.42 1.43 -0.26 -5.00 118.68 125.63 3kgl s LEU 310 Ca -0.01 -3.61 -0.16 0.00 -1.03 0.00 0.00 54.13 49.31 3kgl s LEU 310 Cb -0.03 -2.10 0.24 0.00 0.03 0.00 0.00 46.19 44.33 3kgl s LEU 310 CO -0.01 -0.26 0.93 0.59 0.23 0.00 0.00 176.35 177.84 3kgl n ASN 311 N 2.61 -1.53 -0.02 2.29 5.03 -1.26 -3.06 115.26 119.31 3kgl n ASN 311 Ca 0.23 -1.11 0.15 0.00 0.87 0.00 0.00 54.58 54.71 3kgl n ASN 311 Cb 0.39 -0.82 0.71 0.00 -1.02 0.00 0.00 39.78 39.03 3kgl n ASN 311 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3kgl n SER 312 N -4.38 0.11 -0.06 6.41 3.41 -0.97 -3.04 113.62 115.10 3kgl n SER 312 Ca 0.13 -0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.68 3kgl n SER 312 Cb 0.48 -0.24 0.78 0.00 -0.26 0.00 0.00 64.21 64.97 3kgl n SER 312 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kgl n TYR 313 N -1.24 0.01 0.00 7.33 4.01 -1.26 -3.03 117.16 122.98 3kgl n TYR 313 Ca 0.14 -0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.84 3kgl n TYR 313 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 3kgl n TYR 313 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3kgl n ASP 314 N -0.80 0.68 -4.03 7.72 9.92 -1.17 -4.88 116.55 123.99 3kgl n ASP 314 Ca 0.20 0.10 -0.33 0.00 -0.53 0.00 0.00 54.79 54.23 3kgl n ASP 314 Cb 0.12 -0.23 -0.10 0.00 -0.64 0.00 0.00 41.12 40.27 3kgl n ASP 314 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3kgl s LEU 315 N -6.60 5.04 0.55 0.64 1.43 -1.21 -4.97 118.68 113.56 3kgl s LEU 315 Ca -0.05 -3.29 0.47 0.00 -1.03 0.00 0.00 54.13 50.23 3kgl s LEU 315 Cb 0.01 -1.78 1.69 0.00 0.03 0.00 0.00 46.19 46.15 3kgl s LEU 315 CO 0.07 -0.24 1.61 -0.65 0.23 0.00 0.00 176.35 177.36 3kgl h PRO 316 N 6.36 0.01 0.00 1.29 0.11 -1.84 0.72 132.00 138.65 3kgl h PRO 316 Ca 0.04 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3kgl h PRO 316 Cb 0.87 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3kgl h PRO 316 CO 0.74 0.00 -0.02 0.97 -0.21 0.00 0.00 178.00 179.49 3kgl h ILE 317 N 0.01 0.08 0.00 4.15 6.09 -1.87 -2.80 117.51 123.17 3kgl h ILE 317 Ca 0.89 -0.26 -0.05 0.00 -1.37 0.00 0.00 64.86 64.07 3kgl h ILE 317 Cb 3.49 1.23 -0.01 0.00 0.47 0.00 0.00 36.82 42.00 3kgl h ILE 317 CO -0.05 0.02 -0.23 -0.07 -3.07 0.00 0.00 178.15 174.74 3kgl h LEU 318 N 0.00 0.00 -2.49 2.19 3.38 0.15 -2.31 115.31 116.23 3kgl h LEU 318 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kgl h LEU 318 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kgl h LEU 318 CO 0.00 0.23 0.00 -0.09 0.09 0.00 0.00 178.44 178.67 3kgl h ARG 319 N 0.00 0.00 0.06 1.13 9.65 -1.67 0.16 114.38 123.71 3kgl h ARG 319 Ca -0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.52 3kgl h ARG 319 Cb 0.42 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.97 3kgl h ARG 319 CO 0.03 0.00 -2.00 1.19 2.80 0.00 0.00 179.97 181.99 3kgl n PHE 320 N -2.88 0.84 0.29 2.20 3.72 -0.88 -4.25 117.46 116.48 3kgl n PHE 320 Ca -0.02 0.22 0.15 0.00 -0.05 0.00 0.00 57.45 57.75 3kgl n PHE 320 Cb 0.09 -1.10 0.86 0.00 -0.94 0.00 0.00 39.48 38.38 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 -0.27 0.00 -1.30 4.37 4.07 -1.20 -3.47 115.31 117.51 3kgl h LEU 321 Ca -0.47 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.11 3kgl h LEU 321 Cb 1.82 0.00 0.12 0.00 1.08 0.00 0.00 40.66 43.67 3kgl h LEU 321 CO -0.06 0.05 -0.75 0.54 -1.08 0.00 0.00 178.44 177.15 3kgl n ARG 322 N -3.68 -6.74 -3.98 1.13 1.74 -0.03 -4.87 116.66 100.23 3kgl n ARG 322 Ca -0.02 0.78 -0.08 0.00 -0.77 0.00 0.00 57.85 57.75 3kgl n ARG 322 Cb 0.15 -5.73 -0.09 0.00 -1.02 0.00 0.00 32.46 25.77 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 -6.86 2.05 -0.03 0.55 1.43 -1.24 -3.37 118.68 111.21 3kgl s LEU 323 Ca 0.29 -0.73 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 3kgl s LEU 323 Cb -0.13 0.46 0.04 0.00 0.03 0.00 0.00 46.19 46.59 3kgl s LEU 323 CO 0.75 -0.56 0.42 -0.55 0.23 0.00 0.00 176.35 176.65 3kgl s SER 324 N -2.47 -0.33 0.09 2.29 0.15 -0.81 -3.91 113.70 108.71 3kgl s SER 324 Ca -0.00 0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.96 3kgl s SER 324 Cb 0.02 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 3kgl s SER 324 CO -0.07 -0.48 -0.07 0.00 1.20 0.00 0.00 173.24 173.82 3kgl s ALA 325 N -1.22 0.91 -0.18 5.45 0.00 -1.17 -0.82 121.76 124.72 3kgl s ALA 325 Ca -0.12 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 3kgl s ALA 325 Cb -0.04 0.15 0.08 0.00 0.00 0.00 0.00 23.12 23.32 3kgl s ALA 325 CO 0.06 -0.21 0.21 -1.17 0.00 0.00 0.00 175.76 174.64 3kgl s LEU 326 N -2.86 -0.08 -0.12 0.00 0.20 -0.11 -1.10 118.68 114.62 3kgl s LEU 326 Ca 0.09 -0.13 -0.05 0.00 0.69 0.00 0.00 54.13 54.73 3kgl s LEU 326 Cb 0.03 0.34 -0.04 0.00 -0.43 0.00 0.00 46.19 46.09 3kgl s LEU 326 CO -0.04 -0.31 0.08 -0.60 -0.29 0.00 0.00 176.35 175.18 3kgl s ARG 327 N 2.31 3.34 -0.03 1.98 6.06 -0.73 -0.29 118.95 131.59 3kgl s ARG 327 Ca 0.06 -0.26 -0.03 0.00 -2.50 0.00 0.00 55.73 52.99 3kgl s ARG 327 Cb -0.15 -3.04 0.01 0.00 0.06 0.00 0.00 34.95 31.83 3kgl s ARG 327 CO -0.11 0.68 0.09 0.20 -2.50 0.00 0.00 175.30 173.66 3kgl s GLY 328 N -0.79 -0.06 -0.18 8.12 0.00 -0.81 -0.16 107.32 113.44 3kgl s GLY 328 Ca 0.13 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.11 3kgl s GLY 328 CO 0.03 0.25 -0.12 -0.56 0.00 0.00 0.00 173.10 172.70 3kgl s SER 329 N 0.11 3.14 0.20 1.64 0.01 -0.81 -1.38 113.70 116.61 3kgl s SER 329 Ca -0.00 -0.74 0.09 0.00 1.31 0.00 0.00 55.95 56.60 3kgl s SER 329 Cb -0.01 -1.21 -0.05 0.00 0.21 0.00 0.00 66.02 64.96 3kgl s SER 329 CO -0.00 -0.11 -0.17 0.27 0.41 0.00 0.00 173.24 173.63 3kgl s ILE 330 N 1.43 1.91 0.08 1.44 -4.36 0.99 -1.25 121.20 121.44 3kgl s ILE 330 Ca 0.01 -2.13 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 3kgl s ILE 330 Cb -0.15 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 3kgl s ILE 330 CO -0.09 -0.45 0.19 -0.13 0.24 0.00 0.00 174.94 174.70 3kgl s ARG 331 N -3.28 3.30 0.01 0.37 0.52 -0.63 0.87 118.95 120.11 3kgl s ARG 331 Ca 0.21 -0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 3kgl s ARG 331 Cb -0.03 -2.95 -0.10 0.00 0.52 0.00 0.00 34.95 32.39 3kgl s ARG 331 CO 0.08 0.58 0.52 0.94 0.02 0.00 0.00 175.30 177.44 3kgl n GLN 332 N 0.16 0.00 -0.74 3.54 7.27 0.27 -0.73 117.38 127.15 3kgl n GLN 332 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 3kgl n GLN 332 Cb 0.52 -0.74 0.00 0.00 2.41 0.00 0.00 30.24 32.42 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 0.79 0.00 -4.77 1.69 3.02 0.06 -4.95 115.26 111.11 3kgl n ASN 333 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 3kgl n ASN 333 Cb 0.05 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 3kgl n ASN 333 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgl s ALA 334 N -3.16 3.12 -0.03 5.41 0.00 0.09 -2.04 121.76 125.15 3kgl s ALA 334 Ca 0.00 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.93 3kgl s ALA 334 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3kgl s ALA 334 CO 0.00 -0.48 -0.20 1.41 0.00 0.00 0.00 175.76 176.49 3kgl s MET 335 N -2.37 1.78 -0.53 0.00 1.75 0.53 -0.64 119.30 119.82 3kgl s MET 335 Ca 0.58 -0.73 -0.17 0.00 -1.25 0.00 0.00 55.69 54.12 3kgl s MET 335 Cb -0.29 -1.65 0.10 0.00 2.84 0.00 0.00 34.83 35.83 3kgl s MET 335 CO 0.36 0.40 0.55 0.08 -0.65 0.00 0.00 175.02 175.75 3kgl s VAL 336 N -0.35 5.07 0.19 10.11 1.01 -0.52 -1.68 120.40 134.23 3kgl s VAL 336 Ca 0.04 -1.15 -0.24 0.00 0.00 0.00 0.00 61.98 60.64 3kgl s VAL 336 Cb -0.09 -4.33 -0.14 0.00 0.00 0.00 0.00 36.38 31.82 3kgl s VAL 336 CO 0.00 -0.87 0.41 0.18 0.00 0.00 0.00 175.10 174.83 3kgl n LEU 337 N 5.64 -1.19 -4.39 3.92 4.77 -0.66 -3.52 117.00 121.57 3kgl n LEU 337 Ca -0.12 0.95 -0.54 0.00 -0.03 0.00 0.00 56.01 56.27 3kgl n LEU 337 Cb 0.42 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 3kgl n LEU 337 CO 0.54 -2.65 1.76 -2.65 -1.33 0.00 0.00 177.39 173.05 3kgl n PRO 338 N 0.88 0.73 -4.36 3.23 -0.02 -1.25 -4.83 135.00 129.38 3kgl n PRO 338 Ca 0.15 0.20 -0.19 0.00 -2.02 0.00 0.00 63.50 61.64 3kgl n PRO 338 Cb 0.23 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 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 6.04 1.37 0.31 -0.52 -2.07 -0.63 0.15 119.66 124.30 3kgl s GLN 339 Ca 1.13 -1.62 0.03 0.00 -1.82 0.00 0.00 55.36 53.07 3kgl s GLN 339 Cb -1.08 -1.13 -0.05 0.00 -1.09 0.00 0.00 33.01 29.66 3kgl s GLN 339 CO 0.55 0.16 0.09 1.67 -1.32 0.00 0.00 175.29 176.45 3kgl s TRP 340 N -2.98 1.73 -0.20 9.60 -2.14 -0.41 -0.16 118.94 124.39 3kgl s TRP 340 Ca 0.24 -1.14 -0.06 0.00 2.66 0.00 0.00 56.10 57.80 3kgl s TRP 340 Cb -0.00 -1.06 -0.03 0.00 -3.10 0.00 0.00 33.47 29.27 3kgl s TRP 340 CO 0.08 -0.23 0.03 -0.80 -2.66 0.00 0.00 176.95 173.37 3kgl s ASN 341 N -3.42 5.19 0.32 -2.66 0.01 -1.26 -1.80 114.94 111.32 3kgl s ASN 341 Ca 0.35 -0.08 0.15 0.00 -0.71 0.00 0.00 52.86 52.57 3kgl s ASN 341 Cb 0.07 -1.89 0.46 0.00 0.41 0.00 0.00 41.25 40.30 3kgl s ASN 341 CO 0.15 0.10 1.63 0.00 -1.51 0.00 0.00 177.10 177.47 3kgl h ALA 342 N 7.22 0.91 0.00 0.60 0.00 -1.45 -2.68 119.26 123.86 3kgl h ALA 342 Ca -0.36 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3kgl h ALA 342 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kgl h ALA 342 CO 0.64 0.63 -0.18 0.27 0.00 0.00 0.00 179.25 180.61 3kgl n ASN 343 N -3.56 0.00 -3.96 0.00 6.94 -1.26 -4.90 115.26 108.52 3kgl n ASN 343 Ca -0.00 -1.35 -0.09 0.00 -0.02 0.00 0.00 54.58 53.11 3kgl n ASN 343 Cb 0.59 -0.07 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 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 0.00 0.03 -0.01 -2.53 0.00 -1.26 -4.63 121.76 113.35 3kgl s ALA 344 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 3kgl s ALA 344 Cb 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 3kgl s ALA 344 CO 0.00 -0.24 0.41 -0.80 0.00 0.00 0.00 175.76 175.13 3kgl s ASN 345 N -1.83 6.80 0.26 0.00 0.01 -1.26 -2.82 114.94 116.10 3kgl s ASN 345 Ca -0.10 0.95 0.08 0.00 -0.71 0.00 0.00 52.86 53.08 3kgl s ASN 345 Cb -0.05 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 3kgl s ASN 345 CO -0.03 0.30 0.15 0.00 -1.51 0.00 0.00 177.10 176.01 3kgl s ALA 346 N -0.93 3.49 -0.07 0.60 0.00 0.03 -0.77 121.76 124.11 3kgl s ALA 346 Ca 0.24 -1.51 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 3kgl s ALA 346 Cb -0.17 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 21.86 3kgl s ALA 346 CO 0.13 0.23 0.14 0.08 0.00 0.00 0.00 175.76 176.34 3kgl s VAL 347 N -2.21 -0.20 -0.14 0.00 1.01 -0.77 -2.06 120.40 116.04 3kgl s VAL 347 Ca 0.33 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 3kgl s VAL 347 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3kgl s VAL 347 CO 0.24 0.14 -0.08 -0.22 0.00 0.00 0.00 175.10 175.18 3kgl s LEU 348 N 2.05 3.01 -0.08 3.92 0.20 0.77 -0.93 118.68 127.61 3kgl s LEU 348 Ca 0.01 -0.21 0.03 0.00 0.69 0.00 0.00 54.13 54.65 3kgl s LEU 348 Cb -0.12 -1.70 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 3kgl s LEU 348 CO -0.05 0.18 -0.17 -0.47 -0.29 0.00 0.00 176.35 175.55 3kgl s TYR 349 N 0.26 1.90 -0.14 5.38 5.04 -0.03 -0.13 117.35 129.63 3kgl s TYR 349 Ca -0.06 -0.73 -0.22 0.00 -2.44 0.00 0.00 57.07 53.63 3kgl s TYR 349 Cb -0.15 -1.32 -0.03 0.00 0.35 0.00 0.00 41.96 40.81 3kgl s TYR 349 CO 0.04 -0.32 0.65 0.08 -1.34 0.00 0.00 175.55 174.66 3kgl s VAL 350 N 0.49 5.04 -0.30 3.14 1.01 -0.86 -0.35 120.40 128.56 3kgl s VAL 350 Ca -0.15 1.28 0.18 0.00 0.00 0.00 0.00 61.98 63.29 3kgl s VAL 350 Cb -0.16 -3.98 -0.25 0.00 0.00 0.00 0.00 36.38 31.99 3kgl s VAL 350 CO 0.06 0.18 0.52 0.35 0.00 0.00 0.00 175.10 176.21 3kgl n THR 351 N 4.23 0.00 -3.64 3.92 -2.24 -0.08 -0.78 114.28 115.70 3kgl n THR 351 Ca -0.02 -0.30 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3kgl n THR 351 Cb 0.50 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 3kgl n THR 351 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kgl s ASP 352 N -3.61 -1.08 0.11 3.42 1.01 -0.95 -4.81 116.67 110.76 3kgl s ASP 352 Ca -0.02 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.77 3kgl s ASP 352 Cb 0.12 2.07 0.00 0.00 1.01 0.00 0.00 42.92 46.13 3kgl s ASP 352 CO 0.75 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.52 3kgl n GLY 353 N 5.17 -0.83 3.00 0.21 0.00 -1.26 -1.47 105.19 110.01 3kgl n GLY 353 Ca -0.14 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 3kgl n GLY 353 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgl s GLU 354 N 0.00 0.32 0.07 1.61 2.02 -1.26 -2.30 118.70 119.16 3kgl s GLU 354 Ca 0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 54.97 54.35 3kgl s GLU 354 Cb 0.00 0.12 0.02 0.00 0.10 0.00 0.00 34.13 34.38 3kgl s GLU 354 CO 0.00 -0.06 0.34 0.00 0.02 0.00 0.00 175.26 175.56 3kgl s ALA 355 N -1.28 -0.77 -0.26 5.21 0.00 -0.91 -0.68 121.76 123.06 3kgl s ALA 355 Ca -0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 3kgl s ALA 355 Cb -0.08 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3kgl s ALA 355 CO -0.00 -0.49 0.13 -1.58 0.00 0.00 0.00 175.76 173.81 3kgl s HIS 356 N -3.02 3.15 0.11 0.00 2.46 0.63 -2.14 115.29 116.48 3kgl s HIS 356 Ca -0.02 -0.17 0.10 0.00 0.47 0.00 0.00 55.06 55.45 3kgl s HIS 356 Cb 0.01 -2.30 -0.04 0.00 -0.13 0.00 0.00 32.58 30.12 3kgl s HIS 356 CO -0.06 -0.26 -0.26 0.54 -2.47 0.00 0.00 174.74 172.22 3kgl s VAL 357 N 1.67 2.15 -0.05 0.89 0.11 -0.84 -0.87 120.40 123.45 3kgl s VAL 357 Ca 0.07 -1.66 0.06 0.00 -2.93 0.00 0.00 61.98 57.52 3kgl s VAL 357 Cb -0.15 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.79 3kgl s VAL 357 CO 0.07 0.12 -0.24 -1.10 -3.33 0.00 0.00 175.10 170.62 3kgl s GLN 358 N -1.89 2.41 -0.11 1.54 -0.21 -0.07 -2.17 119.66 119.16 3kgl s GLN 358 Ca 0.12 -0.87 0.02 0.00 0.02 0.00 0.00 55.36 54.66 3kgl s GLN 358 Cb -0.10 -2.06 0.01 0.00 1.00 0.00 0.00 33.01 31.86 3kgl s GLN 358 CO 0.05 0.37 -0.19 0.08 -2.12 0.00 0.00 175.29 173.49 3kgl s VAL 359 N -0.17 1.73 -0.10 1.09 1.01 -0.52 -0.98 120.40 122.46 3kgl s VAL 359 Ca -0.03 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3kgl s VAL 359 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3kgl s VAL 359 CO 0.03 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 3kgl s VAL 360 N 0.79 2.53 0.00 2.92 1.01 -0.28 -0.21 120.40 127.16 3kgl s VAL 360 Ca -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3kgl s VAL 360 Cb -0.16 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3kgl s VAL 360 CO 0.01 0.55 0.00 -0.46 0.00 0.00 0.00 175.10 175.20 3kgl n ASN 361 N 3.35 0.00 0.13 3.32 2.04 -0.76 -1.85 115.26 121.48 3kgl n ASN 361 Ca -0.18 -0.15 0.12 0.00 -0.44 0.00 0.00 54.58 53.93 3kgl n ASN 361 Cb 0.53 0.00 0.21 0.00 -2.53 0.00 0.00 39.78 37.99 3kgl n ASN 361 CO 0.00 0.00 0.00 -2.24 -0.44 0.00 0.00 177.26 174.58 3kgl h ASP 362 N 0.00 0.00 0.69 0.53 2.03 -1.89 -2.94 116.42 114.84 3kgl h ASP 362 Ca 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 3kgl h ASP 362 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3kgl h ASP 362 CO 0.00 0.02 0.00 -3.20 -1.03 0.00 0.00 179.24 175.03 3kgl n ASN 363 N -2.55 0.00 0.00 4.15 5.15 -1.26 -4.89 115.26 115.86 3kgl n ASN 363 Ca 0.04 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 3kgl n ASN 363 Cb 0.48 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 3kgl n ASN 363 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kgl n GLY 364 N 1.19 0.81 3.87 8.20 0.00 -1.11 -5.03 105.19 113.11 3kgl n GLY 364 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.81 6.34 -0.37 1.61 1.01 -1.26 -4.83 116.67 116.36 3kgl s ASP 365 Ca 0.00 1.34 -0.19 0.00 0.71 0.00 0.00 52.55 54.41 3kgl s ASP 365 Cb 0.00 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.51 3kgl s ASP 365 CO 0.00 -0.72 0.55 -0.60 0.21 0.00 0.00 175.17 174.61 3kgl s ARG 366 N -4.76 3.56 0.00 8.23 3.52 -1.26 -1.82 118.95 126.41 3kgl s ARG 366 Ca 0.54 -0.18 0.22 0.00 -0.13 0.00 0.00 55.73 56.18 3kgl s ARG 366 Cb -0.11 -3.84 -0.07 0.00 -1.56 0.00 0.00 34.95 29.38 3kgl s ARG 366 CO 0.46 -0.72 1.03 1.33 -0.81 0.00 0.00 175.30 176.58 3kgl n VAL 367 N 5.52 0.00 -3.66 7.11 0.24 0.71 -4.88 118.33 123.37 3kgl n VAL 367 Ca -0.04 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 3kgl n VAL 367 Cb 0.49 1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 33.86 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 -2.73 -0.69 -0.41 6.34 5.36 -1.14 0.53 117.98 125.24 3kgl s PHE 368 Ca 0.14 1.67 0.07 0.00 -0.96 0.00 0.00 56.93 57.85 3kgl s PHE 368 Cb 0.17 0.24 0.18 0.00 -0.34 0.00 0.00 43.02 43.27 3kgl s PHE 368 CO 0.71 -0.34 0.66 0.34 -1.46 0.00 0.00 175.22 175.13 3kgl s ASP 369 N 0.30 -1.47 0.00 6.13 2.15 -1.24 -1.44 116.67 121.10 3kgl s ASP 369 Ca -0.00 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.17 3kgl s ASP 369 Cb -0.04 1.88 0.00 0.00 -0.30 0.00 0.00 42.92 44.46 3kgl s ASP 369 CO 0.01 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 3kgl n GLY 370 N 4.28 -1.40 3.83 2.66 0.00 -0.92 -4.99 105.19 108.65 3kgl n GLY 370 Ca 0.11 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.01 4.18 -0.08 1.61 2.00 -1.26 -1.99 119.66 123.10 3kgl s GLN 371 Ca 0.00 0.93 -0.03 0.00 -2.00 0.00 0.00 55.36 54.25 3kgl s GLN 371 Cb 0.00 -2.43 0.05 0.00 0.80 0.00 0.00 33.01 31.42 3kgl s GLN 371 CO 0.00 0.13 0.17 0.08 -0.50 0.00 0.00 175.29 175.17 3kgl s VAL 372 N -1.96 -0.18 0.36 1.34 1.01 -0.91 -4.87 120.40 115.20 3kgl s VAL 372 Ca 0.55 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.84 3kgl s VAL 372 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 3kgl s VAL 372 CO 0.17 0.11 0.19 -0.94 0.00 0.00 0.00 175.10 174.63 3kgl s SER 373 N 1.79 2.17 -0.22 3.32 1.04 -1.26 -2.14 113.70 118.39 3kgl s SER 373 Ca -0.03 -1.70 -0.39 0.00 0.48 0.00 0.00 55.95 54.32 3kgl s SER 373 Cb -0.12 0.52 -0.18 0.00 0.10 0.00 0.00 66.02 66.35 3kgl s SER 373 CO -0.06 -0.98 1.18 1.67 0.98 0.00 0.00 173.24 176.03 3kgl n GLN 374 N -0.75 0.00 -0.22 4.02 7.27 -0.97 -1.44 117.38 125.29 3kgl n GLN 374 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3kgl n GLN 374 Cb 0.64 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.96 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 2.45 1.86 3.87 1.69 0.00 0.04 -4.99 105.19 110.11 3kgl n GLY 375 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.25 3.84 -0.04 1.61 -0.21 -0.52 -4.78 119.66 119.31 3kgl s GLN 376 Ca 0.00 0.47 0.04 0.00 0.02 0.00 0.00 55.36 55.89 3kgl s GLN 376 Cb 0.00 -2.46 -0.00 0.00 1.00 0.00 0.00 33.01 31.55 3kgl s GLN 376 CO 0.00 0.09 -0.16 -1.17 -2.12 0.00 0.00 175.29 171.93 3kgl s LEU 377 N -3.43 1.88 -0.09 2.90 2.96 -0.19 -2.04 118.68 120.67 3kgl s LEU 377 Ca 0.51 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3kgl s LEU 377 Cb -0.10 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.70 3kgl s LEU 377 CO 0.26 0.13 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.06 3kgl s LEU 378 N 0.12 1.65 -0.07 -0.68 2.96 0.81 0.41 118.68 123.88 3kgl s LEU 378 Ca -0.05 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.32 3kgl s LEU 378 Cb -0.12 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 3kgl s LEU 378 CO 0.02 0.01 0.47 -0.55 -1.32 0.00 0.00 176.35 174.98 3kgl s SER 379 N 0.90 6.75 -0.36 3.68 0.15 -1.26 -0.16 113.70 123.40 3kgl s SER 379 Ca -0.09 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.45 3kgl s SER 379 Cb -0.15 -2.28 0.12 0.00 -1.71 0.00 0.00 66.02 61.99 3kgl s SER 379 CO 0.00 0.11 0.17 -0.63 1.20 0.00 0.00 173.24 174.09 3kgl s ILE 380 N 0.03 0.86 0.54 6.45 1.01 -0.87 -4.99 121.20 124.22 3kgl s ILE 380 Ca 0.26 -1.82 -0.19 0.00 0.00 0.00 0.00 60.65 58.90 3kgl s ILE 380 Cb -0.16 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.62 3kgl s ILE 380 CO 0.12 -0.81 1.10 -2.84 0.00 0.00 0.00 174.94 172.50 3kgl s PRO 381 N 1.11 3.41 -0.44 2.79 0.02 -1.26 -0.79 135.00 139.84 3kgl s PRO 381 Ca 0.14 1.49 -0.40 0.00 0.02 0.00 0.00 61.00 62.25 3kgl s PRO 381 Cb -0.21 -2.02 -0.17 0.00 0.02 0.00 0.00 34.50 32.11 3kgl s PRO 381 CO -0.12 -0.78 1.69 0.94 -0.33 0.00 0.00 177.00 178.40 3kgl n GLN 382 N -1.39 0.00 0.00 5.54 7.27 -1.13 -1.46 117.38 126.22 3kgl n GLN 382 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 3kgl n GLN 382 Cb 0.52 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.84 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 5.31 2.59 3.71 1.69 0.00 -1.01 -4.98 105.19 112.50 3kgl n GLY 383 Ca 0.40 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3kgl n GLY 383 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kgl n PHE 384 N 0.00 2.44 -4.58 1.61 3.01 -0.53 -4.85 117.46 114.56 3kgl n PHE 384 Ca 0.00 0.45 -0.34 0.00 1.01 0.00 0.00 57.45 58.57 3kgl n PHE 384 Cb 0.00 -2.48 -0.11 0.00 -0.01 0.00 0.00 39.48 36.88 3kgl n PHE 384 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3kgl s SER 385 N 0.05 4.68 -0.05 4.37 1.04 -0.77 -4.26 113.70 118.75 3kgl s SER 385 Ca 0.61 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 57.03 3kgl s SER 385 Cb -0.57 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.25 3kgl s SER 385 CO 0.56 0.32 -0.15 -0.69 0.98 0.00 0.00 173.24 174.26 3kgl s VAL 386 N -0.57 1.29 0.07 5.02 1.01 0.78 -1.13 120.40 126.87 3kgl s VAL 386 Ca 0.09 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.56 3kgl s VAL 386 Cb -0.12 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3kgl s VAL 386 CO 0.02 0.38 -0.26 0.54 0.00 0.00 0.00 175.10 175.79 3kgl s VAL 387 N 0.34 2.08 -0.05 2.92 0.11 -0.15 -1.61 120.40 124.04 3kgl s VAL 387 Ca -0.09 -1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 57.48 3kgl s VAL 387 Cb -0.13 -1.81 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 3kgl s VAL 387 CO 0.03 0.26 0.10 -1.59 -3.33 0.00 0.00 175.10 170.57 3kgl s LYS 388 N -1.46 0.04 -0.10 1.54 -2.85 -1.23 -0.89 119.74 114.78 3kgl s LYS 388 Ca 0.11 0.30 0.02 0.00 -1.00 0.00 0.00 55.97 55.41 3kgl s LYS 388 Cb -0.10 -0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.44 3kgl s LYS 388 CO 0.03 -0.17 -0.16 0.50 0.10 0.00 0.00 175.35 175.65 3kgl s ARG 389 N 1.17 3.09 0.42 1.78 3.52 -0.05 -1.43 118.95 127.43 3kgl s ARG 389 Ca -0.09 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 54.53 3kgl s ARG 389 Cb -0.12 -2.48 -0.08 0.00 -1.56 0.00 0.00 34.95 30.70 3kgl s ARG 389 CO -0.05 0.30 1.10 0.00 -0.81 0.00 0.00 175.30 175.84 3kgl s ALA 390 N 0.10 3.06 0.00 6.12 0.00 0.19 -0.27 121.76 130.96 3kgl s ALA 390 Ca -0.07 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3kgl s ALA 390 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3kgl s ALA 390 CO 0.05 -0.38 0.00 2.41 0.00 0.00 0.00 175.76 177.84 3kgl n THR 391 N -0.18 0.00 -1.95 0.00 -1.04 0.14 -0.76 114.28 110.49 3kgl n THR 391 Ca 0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.78 3kgl n THR 391 Cb 0.49 -0.33 0.20 0.00 -1.82 0.00 0.00 70.33 68.87 3kgl n THR 391 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3kgl n SER 392 N -2.00 0.17 0.07 8.00 3.41 -1.00 -4.83 113.62 117.45 3kgl n SER 392 Ca 0.00 -1.51 -0.12 0.00 -0.26 0.00 0.00 58.87 56.98 3kgl n SER 392 Cb 0.29 -0.98 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 3kgl n SER 392 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kgl h GLU 393 N 0.00 -0.40 -4.48 4.33 5.08 -1.95 -3.21 114.58 113.96 3kgl h GLU 393 Ca -0.42 0.03 -0.33 0.00 -1.00 0.00 0.00 59.36 57.64 3kgl h GLU 393 Cb 1.17 0.09 -0.26 0.00 0.50 0.00 0.00 28.75 30.25 3kgl h GLU 393 CO 0.30 -0.26 -0.75 1.14 -1.00 0.00 0.00 179.01 178.43 3kgl s GLN 394 N -6.06 0.52 -0.20 2.33 -2.07 -1.26 0.94 119.66 113.85 3kgl s GLN 394 Ca -0.15 -0.38 -0.10 0.00 -1.82 0.00 0.00 55.36 52.91 3kgl s GLN 394 Cb 0.09 -0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 31.51 3kgl s GLN 394 CO 0.66 0.11 0.12 0.12 -1.32 0.00 0.00 175.29 174.98 3kgl s PHE 395 N -0.49 3.38 -0.00 9.60 5.36 0.25 -4.26 117.98 131.82 3kgl s PHE 395 Ca -0.01 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.25 3kgl s PHE 395 Cb -0.05 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.49 3kgl s PHE 395 CO 0.00 0.26 -0.01 1.03 -1.46 0.00 0.00 175.22 175.03 3kgl s ARG 396 N 0.38 0.11 0.22 10.12 0.52 -0.54 -0.01 118.95 129.75 3kgl s ARG 396 Ca 0.07 -0.05 -0.16 0.00 -0.52 0.00 0.00 55.73 55.07 3kgl s ARG 396 Cb -0.11 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.26 3kgl s ARG 396 CO -0.01 0.03 0.54 1.67 0.02 0.00 0.00 175.30 177.54 3kgl s TRP 397 N -0.03 0.02 -0.07 -0.53 -2.14 -0.48 -0.90 118.94 114.82 3kgl s TRP 397 Ca 0.00 -0.39 -0.00 0.00 2.66 0.00 0.00 56.10 58.37 3kgl s TRP 397 Cb -0.01 0.37 0.02 0.00 -3.10 0.00 0.00 33.47 30.76 3kgl s TRP 397 CO -0.00 -0.99 -0.04 -1.50 -2.66 0.00 0.00 176.95 171.76 3kgl s ILE 398 N -3.93 0.64 -0.16 0.66 -1.16 0.52 -1.93 121.20 115.84 3kgl s ILE 398 Ca 0.14 -0.10 -0.10 0.00 -0.51 0.00 0.00 60.65 60.08 3kgl s ILE 398 Cb -0.02 -0.70 -0.05 0.00 0.61 0.00 0.00 42.46 42.31 3kgl s ILE 398 CO 0.02 0.28 0.17 -1.61 -2.81 0.00 0.00 174.94 170.99 3kgl s GLU 399 N 1.47 3.92 -0.32 3.50 2.02 0.60 -0.85 118.70 129.05 3kgl s GLU 399 Ca -0.02 -0.12 -0.06 0.00 0.02 0.00 0.00 54.97 54.79 3kgl s GLU 399 Cb -0.13 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.79 3kgl s GLU 399 CO -0.04 0.48 0.09 -0.06 0.02 0.00 0.00 175.26 175.76 3kgl s PHE 400 N -0.18 3.21 0.15 1.61 0.08 -0.11 -0.93 117.98 121.81 3kgl s PHE 400 Ca 0.12 -1.27 -0.03 0.00 0.12 0.00 0.00 56.93 55.87 3kgl s PHE 400 Cb -0.12 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 3kgl s PHE 400 CO 0.02 -0.68 0.36 0.15 -0.10 0.00 0.00 175.22 174.97 3kgl s LYS 401 N 1.44 3.57 -0.67 0.44 1.02 -0.00 -1.85 119.74 123.68 3kgl s LYS 401 Ca -0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.78 3kgl s LYS 401 Cb -0.19 -2.87 0.34 0.00 -0.52 0.00 0.00 37.83 34.60 3kgl s LYS 401 CO 0.03 0.47 2.12 0.25 -0.92 0.00 0.00 175.35 177.29 3kgl n THR 402 N -0.06 3.49 -3.79 2.17 -2.24 0.05 -1.93 114.28 111.97 3kgl n THR 402 Ca -0.03 -3.29 -0.13 0.00 -2.27 0.00 0.00 64.05 58.32 3kgl n THR 402 Cb 0.52 -1.26 -0.14 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.09 -0.12 0.28 3.42 3.84 -1.22 -4.63 114.94 115.43 3kgl s ASN 403 Ca 0.56 0.27 0.02 0.00 0.21 0.00 0.00 52.86 53.91 3kgl s ASN 403 Cb 0.44 0.22 0.67 0.00 -0.55 0.00 0.00 41.25 42.02 3kgl s ASN 403 CO -0.18 -0.09 1.70 0.00 -2.79 0.00 0.00 177.10 175.74 3kgl h ALA 404 N 6.53 1.34 -3.65 1.71 0.00 -1.68 -3.04 119.26 120.46 3kgl h ALA 404 Ca -0.33 0.15 -0.62 0.00 0.00 0.00 0.00 54.91 54.12 3kgl h ALA 404 Cb 1.17 0.14 -0.38 0.00 0.00 0.00 0.00 17.79 18.72 3kgl h ALA 404 CO 0.43 -0.31 -0.79 1.21 0.00 0.00 0.00 179.25 179.79 3kgl s ASN 405 N -5.22 3.93 -0.01 0.00 3.84 -1.26 -2.29 114.94 113.93 3kgl s ASN 405 Ca -0.12 -1.23 -0.19 0.00 0.21 0.00 0.00 52.86 51.53 3kgl s ASN 405 Cb 0.24 -1.22 -0.05 0.00 -0.55 0.00 0.00 41.25 39.67 3kgl s ASN 405 CO 0.78 -0.24 0.55 0.00 -2.79 0.00 0.00 177.10 175.40 3kgl s ALA 406 N 1.36 3.53 -0.38 1.71 0.00 -1.26 -5.00 121.76 121.72 3kgl s ALA 406 Ca -0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.75 3kgl s ALA 406 Cb -0.19 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.27 3kgl s ALA 406 CO -0.06 0.22 0.25 -1.14 0.00 0.00 0.00 175.76 175.02 3kgl s GLN 407 N -0.33 3.02 0.06 0.00 2.00 -1.26 -5.05 119.66 118.10 3kgl s GLN 407 Ca 0.29 -0.96 -0.23 0.00 -2.00 0.00 0.00 55.36 52.46 3kgl s GLN 407 Cb -0.18 -3.84 -0.06 0.00 0.80 0.00 0.00 33.01 29.73 3kgl s GLN 407 CO 0.16 -0.66 0.68 0.42 -0.50 0.00 0.00 175.29 175.38 3kgl s ILE 408 N 1.64 4.72 -0.15 -2.34 1.01 -1.26 -1.04 121.20 123.77 3kgl s ILE 408 Ca 0.04 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.15 3kgl s ILE 408 Cb -0.19 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3kgl s ILE 408 CO 0.09 0.45 -0.19 0.20 0.00 0.00 0.00 174.94 175.49 3kgl s ASN 409 N -0.51 3.33 0.29 3.58 0.01 -0.74 -4.95 114.94 115.96 3kgl s ASN 409 Ca 0.34 -0.56 -0.08 0.00 -0.71 0.00 0.00 52.86 51.85 3kgl s ASN 409 Cb -0.20 -1.50 -0.06 0.00 0.41 0.00 0.00 41.25 39.90 3kgl s ASN 409 CO 0.21 0.06 0.60 0.42 -1.51 0.00 0.00 177.10 176.88 3kgl s THR 410 N 0.92 4.94 -0.10 1.60 -4.23 -1.26 -1.29 115.64 116.21 3kgl s THR 410 Ca -0.04 0.33 0.21 0.00 -1.18 0.00 0.00 61.69 61.01 3kgl s THR 410 Cb -0.15 -3.69 -0.25 0.00 1.34 0.00 0.00 72.50 69.75 3kgl s THR 410 CO -0.03 -0.26 0.52 0.18 -0.54 0.00 0.00 174.62 174.49 3kgl n LEU 411 N -0.70 0.21 -4.00 4.79 4.77 0.12 -1.33 117.00 120.87 3kgl n LEU 411 Ca -0.00 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 3kgl n LEU 411 Cb 0.53 0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 3kgl n LEU 411 CO 0.47 0.08 -0.43 0.00 -1.33 0.00 0.00 177.39 176.17 3kgl s ALA 412 N -3.25 0.78 0.00 -1.18 0.00 -1.26 -4.42 121.76 112.44 3kgl s ALA 412 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3kgl s ALA 412 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3kgl s ALA 412 CO 0.87 0.15 0.00 0.41 0.00 0.00 0.00 175.76 177.18 3kgl n GLY 413 N 3.16 0.44 0.28 0.00 0.00 -1.26 -4.57 105.19 103.24 3kgl n GLY 413 Ca -0.17 -2.22 0.16 0.00 0.00 0.00 0.00 46.02 43.80 3kgl n GLY 413 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kgl h ARG 414 N 6.72 0.00 -0.24 1.61 9.65 -1.54 -2.20 114.38 128.38 3kgl h ARG 414 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kgl h ARG 414 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3kgl h ARG 414 CO 0.00 0.06 0.00 0.25 2.80 0.00 0.00 179.97 183.08 3kgl n THR 415 N -3.31 0.68 -1.17 0.20 -2.24 -1.26 -5.01 114.28 102.17 3kgl n THR 415 Ca -0.01 -0.84 -0.38 0.00 -2.27 0.00 0.00 64.05 60.55 3kgl n THR 415 Cb 0.24 0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3kgl n THR 415 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kgl n SER 416 N 0.54 -2.71 -0.16 3.42 2.88 -0.83 -4.62 113.62 112.14 3kgl n SER 416 Ca 0.10 0.71 -0.05 0.00 -1.33 0.00 0.00 58.87 58.31 3kgl n SER 416 Cb 0.38 -0.79 0.14 0.00 -0.75 0.00 0.00 64.21 63.18 3kgl n SER 416 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3kgl h VAL 417 N 0.25 1.24 -0.66 2.46 3.04 -1.42 -2.82 116.25 118.33 3kgl h VAL 417 Ca -0.34 -0.91 -0.08 0.00 -1.01 0.00 0.00 66.70 64.36 3kgl h VAL 417 Cb 1.31 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 31.24 3kgl h VAL 417 CO 0.42 0.34 0.10 -0.07 -1.01 0.00 0.00 177.57 177.34 3kgl h LEU 418 N 0.87 1.05 -1.95 3.16 4.07 -1.83 -2.45 115.31 118.24 3kgl h LEU 418 Ca 0.18 -0.25 0.20 0.00 0.08 0.00 0.00 57.88 58.09 3kgl h LEU 418 Cb 0.36 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 3kgl h LEU 418 CO 0.00 1.05 0.58 -0.09 -1.08 0.00 0.00 178.44 178.90 3kgl h ARG 419 N 1.02 0.00 -0.59 1.13 9.65 -1.75 0.27 114.38 124.11 3kgl h ARG 419 Ca 0.20 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3kgl h ARG 419 Cb 0.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 3kgl h ARG 419 CO 0.01 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.19 3kgl n GLY 420 N -1.62 1.85 3.87 2.80 0.00 -0.92 -4.88 105.19 106.28 3kgl n GLY 420 Ca 0.14 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.16 4.21 0.43 0.99 1.02 0.96 -5.10 118.68 120.03 3kgl s LEU 421 Ca 0.39 0.26 -0.25 0.00 0.02 0.00 0.00 54.13 54.54 3kgl s LEU 421 Cb 0.22 -2.58 -0.08 0.00 0.02 0.00 0.00 46.19 43.76 3kgl s LEU 421 CO 0.24 0.24 1.34 -2.84 0.02 0.00 0.00 176.35 175.36 3kgl s PRO 422 N -2.03 3.84 0.24 1.29 0.02 -1.26 -4.92 135.00 132.17 3kgl s PRO 422 Ca 0.28 2.24 -0.06 0.00 0.02 0.00 0.00 61.00 63.47 3kgl s PRO 422 Cb -0.12 -2.69 0.44 0.00 0.02 0.00 0.00 34.50 32.14 3kgl s PRO 422 CO 0.19 -0.63 1.67 -0.07 -0.33 0.00 0.00 177.00 177.83 3kgl h LEU 423 N 2.49 -0.13 -1.38 -5.54 4.07 -1.98 -1.20 115.31 111.65 3kgl h LEU 423 Ca -0.50 0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.62 3kgl h LEU 423 Cb 1.25 0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.25 3kgl h LEU 423 CO 0.62 -0.10 0.00 1.05 -1.08 0.00 0.00 178.44 178.93 3kgl h GLU 424 N 0.19 0.00 0.22 1.13 9.09 -1.98 0.15 114.58 123.38 3kgl h GLU 424 Ca 0.41 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.49 3kgl h GLU 424 Cb 0.70 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.83 3kgl h GLU 424 CO -0.56 0.00 -1.47 0.28 0.05 0.00 0.00 179.01 177.31 3kgl h VAL 425 N 0.00 1.28 -0.19 -1.06 2.07 -1.59 -0.77 116.25 115.99 3kgl h VAL 425 Ca 0.00 -2.76 -0.05 0.00 0.82 0.00 0.00 66.70 64.71 3kgl h VAL 425 Cb 0.18 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3kgl h VAL 425 CO 0.00 0.83 -0.08 0.40 0.02 0.00 0.00 177.57 178.74 3kgl h ILE 426 N 0.12 1.30 -0.07 4.57 2.04 -1.06 -0.38 117.51 124.03 3kgl h ILE 426 Ca -0.24 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 3kgl h ILE 426 Cb 2.12 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 3kgl h ILE 426 CO 0.25 0.34 -0.27 0.77 0.00 0.00 0.00 178.15 179.23 3kgl h SER 427 N 0.08 0.36 1.10 1.72 4.64 -0.88 -1.84 113.55 118.74 3kgl h SER 427 Ca 0.04 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 3kgl h SER 427 Cb 0.56 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3kgl h SER 427 CO 0.03 0.93 0.00 0.78 -0.87 0.00 0.00 176.83 177.69 3kgl h ASN 428 N -0.18 0.00 0.02 4.97 2.35 -1.23 -0.71 115.58 120.79 3kgl h ASN 428 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3kgl h ASN 428 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3kgl h ASN 428 CO 0.06 0.00 -0.01 1.23 -1.65 0.00 0.00 177.43 177.06 3kgl h GLY 429 N 2.24 -0.03 -0.82 2.83 0.00 -0.90 -3.34 103.07 103.06 3kgl h GLY 429 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3kgl h GLY 429 CO 0.00 -0.01 -0.03 -1.72 0.00 0.00 0.00 176.54 174.78 3kgl n TYR 430 N -4.71 0.00 -3.51 5.60 4.01 -0.70 -4.96 117.16 112.89 3kgl n TYR 430 Ca -0.07 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.45 3kgl n TYR 430 Cb 0.30 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.43 -1.45 -4.75 -0.72 6.02 -0.34 -5.04 117.38 111.53 3kgl n GLN 431 Ca 0.17 0.75 -0.33 0.00 -0.01 0.00 0.00 57.00 57.58 3kgl n GLN 431 Cb 0.42 -4.52 -0.08 0.00 1.02 0.00 0.00 30.24 27.08 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 -3.32 1.18 0.47 5.09 -4.36 -0.83 -5.04 121.20 114.40 3kgl s ILE 432 Ca 0.34 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.50 3kgl s ILE 432 Cb -0.10 -2.20 -0.07 0.00 1.25 0.00 0.00 42.46 41.34 3kgl s ILE 432 CO 0.82 0.00 1.26 -0.44 0.24 0.00 0.00 174.94 176.82 3kgl s SER 433 N -3.87 5.93 0.42 4.36 0.01 -1.26 -4.76 113.70 114.54 3kgl s SER 433 Ca 0.07 2.54 0.10 0.00 1.31 0.00 0.00 55.95 59.97 3kgl s SER 433 Cb 0.02 -2.62 0.94 0.00 0.21 0.00 0.00 66.02 64.56 3kgl s SER 433 CO 0.04 -1.10 2.01 0.25 0.41 0.00 0.00 173.24 174.85 3kgl h LEU 434 N 2.04 0.43 0.01 2.44 5.85 -1.97 0.25 115.31 124.36 3kgl h LEU 434 Ca -0.50 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3kgl h LEU 434 Cb 1.26 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3kgl h LEU 434 CO 0.60 0.29 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.65 3kgl h GLU 435 N 0.50 -0.01 -0.89 1.25 3.07 -2.00 -2.08 114.58 114.41 3kgl h GLU 435 Ca 0.23 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.21 3kgl h GLU 435 Cb 0.27 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.11 3kgl h GLU 435 CO -0.06 0.33 0.58 0.93 -1.40 0.00 0.00 179.01 179.38 3kgl h GLU 436 N -0.35 0.78 -0.03 2.33 5.08 -1.70 -1.83 114.58 118.86 3kgl h GLU 436 Ca -0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kgl h GLU 436 Cb 0.34 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3kgl h GLU 436 CO 0.00 0.52 0.01 0.00 -1.00 0.00 0.00 179.01 178.54 3kgl h ALA 437 N 1.58 0.04 -0.96 3.43 0.00 -0.41 -1.02 119.26 121.93 3kgl h ALA 437 Ca 0.43 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.50 3kgl h ALA 437 Cb 0.54 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 3kgl h ALA 437 CO -0.20 -0.35 0.49 -0.09 0.00 0.00 0.00 179.25 179.10 3kgl h ARG 438 N -0.15 0.37 0.56 0.00 2.43 -0.63 -1.69 114.38 115.27 3kgl h ARG 438 Ca 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3kgl h ARG 438 Cb 0.22 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3kgl h ARG 438 CO -0.00 0.25 -0.27 0.00 -1.51 0.00 0.00 179.97 178.44 3kgl h ARG 439 N 0.39 -0.72 -0.93 0.20 3.08 -0.93 -2.60 114.38 112.86 3kgl h ARG 439 Ca 0.65 0.05 0.28 0.00 0.07 0.00 0.00 59.98 61.02 3kgl h ARG 439 Cb 1.35 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 31.41 3kgl h ARG 439 CO -0.57 -0.48 0.32 0.28 -1.07 0.00 0.00 179.97 178.46 3kgl h VAL 440 N -1.06 0.25 0.00 2.04 2.07 -0.78 0.10 116.25 118.87 3kgl h VAL 440 Ca -0.08 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3kgl h VAL 440 Cb 0.57 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3kgl h VAL 440 CO 0.13 0.04 -0.43 0.50 0.02 0.00 0.00 177.57 177.82 3kgl h LYS 441 N 0.20 0.00 0.00 1.57 3.64 -1.35 -3.40 116.57 117.22 3kgl h LYS 441 Ca 0.63 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 3kgl h LYS 441 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3kgl h LYS 441 CO -0.69 0.43 -0.72 1.19 -2.27 0.00 0.00 179.45 177.40 3kgl n PHE 442 N -3.28 0.00 -0.23 1.91 3.72 -0.53 -4.60 117.46 114.44 3kgl n PHE 442 Ca 0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.45 3kgl n PHE 442 Cb 0.66 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.04 -3.26 4.37 2.35 -1.05 -3.36 115.58 114.59 3kgl h ASN 443 Ca 0.00 0.14 -0.59 0.00 -0.55 0.00 0.00 56.30 55.30 3kgl h ASN 443 Cb 0.51 0.19 -0.08 0.00 0.05 0.00 0.00 38.32 39.00 3kgl h ASN 443 CO 0.00 -0.03 0.66 -0.89 -1.65 0.00 0.00 177.43 175.52 3kgl s THR 444 N -6.08 4.69 -0.07 2.81 2.01 -1.26 -4.89 115.64 112.84 3kgl s THR 444 Ca -0.13 1.68 0.19 0.00 0.31 0.00 0.00 61.69 63.74 3kgl s THR 444 Cb 0.20 -4.27 -0.30 0.00 0.01 0.00 0.00 72.50 68.15 3kgl s THR 444 CO 0.75 -0.25 0.44 2.30 -0.69 0.00 0.00 174.62 177.17 3kgl n ILE 445 N 5.50 0.00 -1.79 1.82 -5.35 -1.26 -3.79 119.36 114.50 3kgl n ILE 445 Ca 0.09 -0.42 -0.35 0.00 -0.27 0.00 0.00 62.75 61.80 3kgl n ILE 445 Cb 0.47 0.11 0.06 0.00 -1.74 0.00 0.00 39.64 38.54 3kgl n ILE 445 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3kgl s GLU 446 N -3.31 2.67 -0.19 6.28 1.03 -1.26 -3.93 118.70 119.98 3kgl s GLU 446 Ca -0.06 1.79 -0.22 0.00 0.03 0.00 0.00 54.97 56.51 3kgl s GLU 446 Cb 0.12 -1.89 -0.20 0.00 -0.80 0.00 0.00 34.13 31.36 3kgl s GLU 446 CO 0.80 -1.44 0.29 1.15 -1.33 0.00 0.00 175.26 174.74 3kgl h THR 447 N 0.42 1.01 0.00 1.83 2.02 -1.93 -2.50 112.91 113.76 3kgl h THR 447 Ca -0.49 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.48 3kgl h THR 447 Cb 1.30 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 3kgl h THR 447 CO 0.53 0.38 -0.20 0.41 0.37 0.00 0.00 175.52 177.01 3kgl n THR 448 N -4.40 0.21 -3.43 3.16 -1.04 -1.26 -4.56 114.28 102.96 3kgl n THR 448 Ca -0.29 0.07 -0.32 0.00 -2.04 0.00 0.00 64.05 61.47 3kgl n THR 448 Cb 0.68 -0.88 -0.05 0.00 -1.82 0.00 0.00 70.33 68.26 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 -6.12 4.16 0.18 -4.42 1.43 -1.26 -1.65 118.68 111.00 3kgl s LEU 449 Ca 0.00 0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 53.74 3kgl s LEU 449 Cb 0.00 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.64 3kgl s LEU 449 CO 0.00 -0.08 0.76 0.28 0.23 0.00 0.00 176.35 177.54 3kgl s THR 450 N -1.83 0.00 0.16 5.49 -1.32 -0.68 -4.81 115.64 112.64 3kgl s THR 450 Ca 0.46 -0.51 -0.05 0.00 -1.21 0.00 0.00 61.69 60.38 3kgl s THR 450 Cb -0.11 -1.58 -0.06 0.00 -1.51 0.00 0.00 72.50 69.24 3kgl s THR 450 CO 0.22 0.00 0.40 -2.28 -2.21 0.00 0.00 174.62 170.75 3kgl s HIS 451 N -3.63 3.47 0.00 9.09 2.46 -1.26 -0.35 115.29 125.07 3kgl s HIS 451 Ca 0.08 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.19 3kgl s HIS 451 Cb -0.03 -2.03 0.00 0.00 -0.13 0.00 0.00 32.58 30.39 3kgl s HIS 451 CO -0.02 0.41 0.00 -1.13 -2.47 0.00 0.00 174.74 171.53 3kgl n SER 452 N 0.02 3.24 0.00 9.88 3.41 -0.87 -4.85 113.62 124.45 3kgl n SER 452 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3kgl n SER 452 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3kgl n SER 452 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34