#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgl n PRO 4 N 0.00 0.93 -0.56 -7.13 -0.02 -1.26 -4.71 135.00 122.25 3kgl n PRO 4 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 3kgl n PRO 4 Cb 0.00 -1.26 0.21 0.00 -0.02 0.00 0.00 33.50 32.43 3kgl n PRO 4 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kgl n ASN 5 N 0.27 2.95 -0.27 2.55 3.02 -1.26 -4.87 115.26 117.66 3kgl n ASN 5 Ca 0.00 -3.41 0.26 0.00 -0.03 0.00 0.00 54.58 51.41 3kgl n ASN 5 Cb 0.34 -0.57 0.41 0.00 -0.61 0.00 0.00 39.78 39.35 3kgl n ASN 5 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3kgl n GLU 6 N -0.94 0.01 -0.32 3.52 0.28 -1.26 -0.55 120.64 121.38 3kgl n GLU 6 Ca 0.26 0.78 0.09 0.00 -0.16 0.00 0.00 57.16 58.13 3kgl n GLU 6 Cb 0.92 -1.90 0.26 0.00 1.43 0.00 0.00 31.44 32.14 3kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kgl n GLN 8 N 1.07 3.15 -3.59 0.00 -0.06 0.29 -4.95 117.38 113.29 3kgl n GLN 8 Ca 0.19 -3.20 -0.36 0.00 -2.00 0.00 0.00 57.00 51.63 3kgl n GLN 8 Cb 0.58 -3.40 -0.07 0.00 -4.06 0.00 0.00 30.24 23.29 3kgl n GLN 8 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3kgl s LEU 9 N 3.47 4.28 -0.08 1.69 1.02 -1.26 -4.96 118.68 122.84 3kgl s LEU 9 Ca 0.51 0.51 0.09 0.00 0.02 0.00 0.00 54.13 55.27 3kgl s LEU 9 Cb 0.06 -2.33 -0.13 0.00 0.02 0.00 0.00 46.19 43.81 3kgl s LEU 9 CO 0.04 0.16 0.09 0.47 0.02 0.00 0.00 176.35 177.13 3kgl n ASP 10 N 3.25 2.55 -4.13 2.29 8.00 -1.26 -4.98 116.55 122.26 3kgl n ASP 10 Ca -0.13 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.13 3kgl n ASP 10 Cb 0.52 0.95 -0.15 0.00 -0.02 0.00 0.00 41.12 42.42 3kgl n ASP 10 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kgl s GLN 11 N -2.38 1.30 0.00 -1.24 -0.21 -1.26 -4.53 119.66 111.35 3kgl s GLN 11 Ca -0.05 -0.56 0.04 0.00 0.02 0.00 0.00 55.36 54.82 3kgl s GLN 11 Cb 0.04 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.77 3kgl s GLN 11 CO 0.42 0.33 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.30 3kgl s LEU 12 N -0.33 2.95 0.02 2.90 1.43 0.17 -4.90 118.68 120.91 3kgl s LEU 12 Ca 0.05 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3kgl s LEU 12 Cb -0.06 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 3kgl s LEU 12 CO -0.00 0.29 -0.12 0.20 0.23 0.00 0.00 176.35 176.94 3kgl s ASN 13 N -1.31 1.37 -0.27 2.29 0.01 -1.26 -4.58 114.94 111.20 3kgl s ASN 13 Ca 0.15 -0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 51.67 3kgl s ASN 13 Cb -0.11 -0.10 -0.01 0.00 0.41 0.00 0.00 41.25 41.44 3kgl s ASN 13 CO 0.06 0.05 1.47 0.00 -1.51 0.00 0.00 177.10 177.17 3kgl s ALA 14 N -0.63 3.29 0.24 0.60 0.00 -1.26 -4.78 121.76 119.22 3kgl s ALA 14 Ca 0.01 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 3kgl s ALA 14 Cb -0.06 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 3kgl s ALA 14 CO 0.00 -1.91 0.44 -0.51 0.00 0.00 0.00 175.76 173.78 3kgl s LEU 15 N 4.89 4.17 0.41 0.00 1.43 0.51 -4.77 118.68 125.31 3kgl s LEU 15 Ca 0.64 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.19 3kgl s LEU 15 Cb -0.21 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3kgl s LEU 15 CO 0.27 -0.11 0.11 -1.61 0.23 0.00 0.00 176.35 175.24 3kgl s GLU 16 N -3.61 1.93 0.67 1.70 2.02 -1.26 -1.68 118.70 118.46 3kgl s GLU 16 Ca 0.39 -2.17 -0.15 0.00 0.02 0.00 0.00 54.97 53.05 3kgl s GLU 16 Cb -0.10 -0.70 0.01 0.00 0.10 0.00 0.00 34.13 33.43 3kgl s GLU 16 CO 0.31 -0.45 1.14 -2.14 0.02 0.00 0.00 175.26 174.14 3kgl s PRO 17 N -3.74 2.63 -0.22 0.39 0.02 -1.26 -4.70 135.00 128.12 3kgl s PRO 17 Ca 0.23 1.53 0.02 0.00 0.02 0.00 0.00 61.00 62.80 3kgl s PRO 17 Cb 0.03 -1.92 -0.15 0.00 0.02 0.00 0.00 34.50 32.49 3kgl s PRO 17 CO 0.14 -1.40 -0.20 0.43 -0.33 0.00 0.00 177.00 175.63 3kgl n SER 18 N -2.42 2.25 -4.19 2.53 7.64 -0.26 -4.94 113.62 114.23 3kgl n SER 18 Ca 0.11 -0.12 -0.25 0.00 1.01 0.00 0.00 58.87 59.62 3kgl n SER 18 Cb 0.51 -0.36 -0.15 0.00 -1.01 0.00 0.00 64.21 63.20 3kgl n SER 18 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3kgl s HIS 19 N -2.45 1.67 -0.28 1.43 3.76 -0.84 -5.02 115.29 113.55 3kgl s HIS 19 Ca -0.30 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.30 3kgl s HIS 19 Cb 0.08 -1.07 0.08 0.00 1.11 0.00 0.00 32.58 32.79 3kgl s HIS 19 CO 0.52 -0.02 0.03 0.08 -0.85 0.00 0.00 174.74 174.49 3kgl s VAL 20 N -0.47 1.41 -0.32 -0.90 1.01 -1.26 -0.59 120.40 119.28 3kgl s VAL 20 Ca 0.07 -1.49 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 3kgl s VAL 20 Cb -0.07 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kgl s VAL 20 CO -0.01 -0.42 1.55 -0.76 0.00 0.00 0.00 175.10 175.47 3kgl s LEU 21 N 1.39 3.70 -0.28 3.92 1.43 0.22 -4.97 118.68 124.09 3kgl s LEU 21 Ca 0.04 1.24 -0.23 0.00 -1.03 0.00 0.00 54.13 54.15 3kgl s LEU 21 Cb -0.18 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 3kgl s LEU 21 CO -0.13 -1.39 0.76 -0.54 0.23 0.00 0.00 176.35 175.27 3kgl s LYS 22 N 4.91 4.06 0.33 1.70 -0.14 -1.26 -1.94 119.74 127.39 3kgl s LYS 22 Ca 0.68 0.67 0.03 0.00 -1.36 0.00 0.00 55.97 55.99 3kgl s LYS 22 Cb -0.20 -3.69 0.03 0.00 -1.68 0.00 0.00 37.83 32.29 3kgl s LYS 22 CO 0.30 -0.57 0.21 0.00 -0.76 0.00 0.00 175.35 174.54 3kgl n ALA 23 N 6.02 0.48 0.17 5.17 0.00 -0.73 -4.80 120.51 126.83 3kgl n ALA 23 Ca 0.03 -1.34 0.06 0.00 0.00 0.00 0.00 53.44 52.18 3kgl n ALA 23 Cb 0.48 0.58 0.13 0.00 0.00 0.00 0.00 19.45 20.65 3kgl n ALA 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kgl h GLU 24 N 0.00 0.00 -0.09 0.00 4.81 -0.48 -3.35 114.58 115.46 3kgl h GLU 24 Ca -0.22 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 3kgl h GLU 24 Cb 0.77 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 29.80 3kgl h GLU 24 CO 0.34 0.35 -0.98 0.00 -0.73 0.00 0.00 179.01 177.99 3kgl n ALA 25 N -2.20 2.63 0.00 2.92 0.00 -0.12 -4.76 120.51 118.98 3kgl n ALA 25 Ca 0.02 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.89 3kgl n ALA 25 Cb 0.64 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 0.09 0.51 2.93 0.00 0.00 -1.26 -1.15 105.19 106.31 3kgl n GLY 26 Ca 0.09 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.34 0.10 0.08 1.61 1.70 0.16 -1.77 118.95 119.50 3kgl s ARG 27 Ca 0.00 0.52 -0.30 0.00 -0.47 0.00 0.00 55.73 55.48 3kgl s ARG 27 Cb 0.00 -0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 34.14 3kgl s ARG 27 CO 0.00 -0.23 1.13 0.42 -1.08 0.00 0.00 175.30 175.54 3kgl s ILE 28 N 1.75 4.16 -0.15 4.99 1.01 -0.82 -1.99 121.20 130.14 3kgl s ILE 28 Ca -0.04 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.24 3kgl s ILE 28 Cb -0.12 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.34 3kgl s ILE 28 CO -0.07 0.17 -0.13 -1.61 0.00 0.00 0.00 174.94 173.30 3kgl s GLU 29 N 0.64 2.24 -0.08 2.79 2.02 -0.38 -0.61 118.70 125.32 3kgl s GLU 29 Ca 0.55 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.98 3kgl s GLU 29 Cb -0.28 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 3kgl s GLU 29 CO 0.31 -0.26 -0.17 0.54 0.02 0.00 0.00 175.26 175.69 3kgl s VAL 30 N 1.48 2.75 0.41 2.63 0.11 0.24 -0.47 120.40 127.55 3kgl s VAL 30 Ca 0.04 -0.81 -0.21 0.00 -2.93 0.00 0.00 61.98 58.08 3kgl s VAL 30 Cb -0.13 -2.09 -0.11 0.00 -1.53 0.00 0.00 36.38 32.52 3kgl s VAL 30 CO -0.10 0.56 0.93 0.26 -3.33 0.00 0.00 175.10 173.41 3kgl s TRP 31 N -0.13 3.35 -0.52 1.54 0.51 -0.74 -1.10 118.94 121.84 3kgl s TRP 31 Ca -0.02 1.58 -0.28 0.00 -2.12 0.00 0.00 56.10 55.26 3kgl s TRP 31 Cb -0.14 -2.82 0.03 0.00 -0.81 0.00 0.00 33.47 29.73 3kgl s TRP 31 CO 0.04 -0.06 1.10 0.34 -0.51 0.00 0.00 176.95 177.86 3kgl s ASP 32 N -2.15 6.51 0.00 2.95 2.15 -1.26 -4.58 116.67 120.28 3kgl s ASP 32 Ca 0.60 0.18 0.09 0.00 0.43 0.00 0.00 52.55 53.85 3kgl s ASP 32 Cb -0.10 -2.52 0.54 0.00 -0.30 0.00 0.00 42.92 40.54 3kgl s ASP 32 CO 0.14 -1.31 1.15 0.00 -0.17 0.00 0.00 175.17 174.98 3kgl n HIS 33 N 7.93 0.00 0.67 -5.34 1.44 -1.26 -2.24 115.22 116.43 3kgl n HIS 33 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 3kgl n HIS 33 Cb 0.49 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.73 3kgl n HIS 33 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3kgl n HIS 34 N -0.69 0.32 -1.65 -1.40 8.25 -1.26 -3.66 115.22 115.13 3kgl n HIS 34 Ca 0.07 0.09 -0.50 0.00 -0.26 0.00 0.00 57.72 57.13 3kgl n HIS 34 Cb 0.03 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 30.61 3kgl n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kgl n ALA 35 N -1.75 0.35 -0.34 -1.41 0.00 -0.95 -4.75 120.51 111.66 3kgl n ALA 35 Ca 0.03 0.44 0.20 0.00 0.00 0.00 0.00 53.44 54.12 3kgl n ALA 35 Cb 0.41 -2.27 0.42 0.00 0.00 0.00 0.00 19.45 18.02 3kgl n ALA 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kgl h PRO 36 N 6.06 0.44 -0.20 0.00 0.11 -1.91 0.22 132.00 136.72 3kgl h PRO 36 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3kgl h PRO 36 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kgl h PRO 36 CO 0.87 0.29 -0.42 -0.56 -0.21 0.00 0.00 178.00 177.97 3kgl h GLN 37 N 0.45 0.48 0.03 1.05 3.07 -1.88 0.12 115.11 118.42 3kgl h GLN 37 Ca 0.68 -0.24 -0.18 0.00 0.09 0.00 0.00 58.65 58.99 3kgl h GLN 37 Cb 1.42 0.00 0.02 0.00 0.08 0.00 0.00 27.48 29.00 3kgl h GLN 37 CO -0.54 0.81 -0.73 -0.07 0.09 0.00 0.00 178.83 178.39 3kgl h LEU 38 N 0.39 0.60 -1.64 0.06 3.38 -1.34 -2.61 115.31 114.15 3kgl h LEU 38 Ca 0.03 -0.79 0.11 0.00 0.09 0.00 0.00 57.88 57.33 3kgl h LEU 38 Cb 0.90 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3kgl h LEU 38 CO 0.08 1.31 0.43 -0.09 0.09 0.00 0.00 178.44 180.26 3kgl h ARG 39 N -0.05 0.38 -0.37 1.13 2.43 -0.46 0.12 114.38 117.56 3kgl h ARG 39 Ca -0.10 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.89 3kgl h ARG 39 Cb 1.45 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3kgl h ARG 39 CO 0.14 0.25 -0.39 0.00 -1.51 0.00 0.00 179.97 178.46 3kgl h SER 41 N 0.74 0.83 0.00 0.00 0.02 -0.43 -3.48 113.55 111.24 3kgl h SER 41 Ca 0.06 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3kgl h SER 41 Cb 0.98 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3kgl h SER 41 CO 0.09 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.14 3kgl n GLY 42 N -0.93 1.05 3.15 -3.77 0.00 -0.30 -4.83 105.19 99.57 3kgl n GLY 42 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3kgl n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kgl s VAL 43 N -2.00 0.70 0.49 1.61 -7.23 -1.23 -0.04 120.40 112.70 3kgl s VAL 43 Ca 0.00 -1.69 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 3kgl s VAL 43 Cb 0.00 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.57 3kgl s VAL 43 CO 0.00 -0.71 0.31 -0.55 -0.31 0.00 0.00 175.10 173.84 3kgl s SER 44 N -2.60 4.58 0.00 4.85 0.15 -0.18 -4.66 113.70 115.84 3kgl s SER 44 Ca 0.06 -1.18 -0.02 0.00 0.70 0.00 0.00 55.95 55.50 3kgl s SER 44 Cb 0.00 0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 3kgl s SER 44 CO -0.03 -0.89 0.03 0.12 1.20 0.00 0.00 173.24 173.68 3kgl s PHE 45 N -2.70 0.10 -0.01 3.44 5.36 -1.26 -2.18 117.98 120.72 3kgl s PHE 45 Ca 0.35 -0.21 -0.15 0.00 -0.96 0.00 0.00 56.93 55.95 3kgl s PHE 45 Cb -0.01 -0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.61 3kgl s PHE 45 CO 0.20 -0.15 0.31 0.54 -1.46 0.00 0.00 175.22 174.66 3kgl s VAL 46 N -0.93 0.06 -0.11 3.12 0.11 -0.10 -1.79 120.40 120.76 3kgl s VAL 46 Ca -0.10 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.47 3kgl s VAL 46 Cb -0.06 -0.62 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3kgl s VAL 46 CO -0.00 -0.26 -0.07 -0.60 -3.33 0.00 0.00 175.10 170.84 3kgl s ARG 47 N -1.33 1.49 0.02 1.54 3.52 0.38 -0.03 118.95 124.53 3kgl s ARG 47 Ca -0.14 -0.24 -0.26 0.00 -0.13 0.00 0.00 55.73 54.97 3kgl s ARG 47 Cb -0.05 -1.56 -0.05 0.00 -1.56 0.00 0.00 34.95 31.73 3kgl s ARG 47 CO 0.04 -0.27 0.80 0.71 -0.81 0.00 0.00 175.30 175.78 3kgl s TYR 48 N 1.72 3.69 -0.28 5.12 2.02 0.25 -1.25 117.35 128.62 3kgl s TYR 48 Ca 0.05 1.48 -0.02 0.00 -0.37 0.00 0.00 57.07 58.21 3kgl s TYR 48 Cb -0.13 -2.89 0.04 0.00 -0.40 0.00 0.00 41.96 38.59 3kgl s TYR 48 CO -0.08 0.18 -0.01 0.42 -1.57 0.00 0.00 175.55 174.48 3kgl s ILE 49 N 0.33 3.06 -0.23 2.71 1.01 -0.84 -1.10 121.20 126.14 3kgl s ILE 49 Ca 0.41 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3kgl s ILE 49 Cb -0.20 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.60 3kgl s ILE 49 CO 0.23 0.00 -0.07 -0.63 0.00 0.00 0.00 174.94 174.48 3kgl s ILE 50 N 1.30 3.00 0.74 2.92 1.01 0.61 -0.66 121.20 130.13 3kgl s ILE 50 Ca -0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 3kgl s ILE 50 Cb -0.19 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.91 3kgl s ILE 50 CO -0.02 0.35 1.12 -1.61 0.00 0.00 0.00 174.94 174.78 3kgl s GLU 51 N 1.39 2.51 0.25 2.79 0.41 -0.30 0.01 118.70 125.76 3kgl s GLU 51 Ca 0.03 0.30 -0.30 0.00 -0.41 0.00 0.00 54.97 54.60 3kgl s GLU 51 Cb -0.15 -2.01 -0.14 0.00 -1.78 0.00 0.00 34.13 30.05 3kgl s GLU 51 CO -0.05 -1.24 1.09 0.45 -0.49 0.00 0.00 175.26 175.02 3kgl n SER 52 N -3.11 1.43 -2.05 -0.19 2.88 -1.26 -1.32 113.62 110.00 3kgl n SER 52 Ca 0.07 1.16 -0.21 0.00 -1.33 0.00 0.00 58.87 58.57 3kgl n SER 52 Cb 0.59 -1.28 -0.04 0.00 -0.75 0.00 0.00 64.21 62.73 3kgl n SER 52 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3kgl n LYS 53 N 1.15 -1.56 -3.89 -1.46 4.76 -0.89 -4.93 118.16 111.35 3kgl n LYS 53 Ca 0.11 1.08 -0.36 0.00 -2.87 0.00 0.00 58.31 56.27 3kgl n LYS 53 Cb 0.30 -5.62 -0.07 0.00 -1.84 0.00 0.00 35.03 27.80 3kgl n LYS 53 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kgl s GLY 54 N -2.34 2.09 -0.18 0.72 0.00 -0.43 -1.09 107.32 106.10 3kgl s GLY 54 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 3kgl s GLY 54 CO 0.00 -0.25 -0.13 -2.27 0.00 0.00 0.00 173.10 170.45 3kgl s LEU 55 N -0.63 2.52 -0.56 0.66 2.96 0.11 -1.51 118.68 122.23 3kgl s LEU 55 Ca 0.13 -0.49 -0.28 0.00 -0.22 0.00 0.00 54.13 53.26 3kgl s LEU 55 Cb -0.12 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3kgl s LEU 55 CO 0.02 0.03 1.26 -0.47 -1.32 0.00 0.00 176.35 175.87 3kgl s TYR 56 N 1.14 2.53 0.52 5.38 5.04 0.84 -0.65 117.35 132.15 3kgl s TYR 56 Ca 0.01 0.47 -0.21 0.00 -2.44 0.00 0.00 57.07 54.90 3kgl s TYR 56 Cb -0.14 -4.47 -0.06 0.00 0.35 0.00 0.00 41.96 37.64 3kgl s TYR 56 CO -0.05 -1.68 1.20 -0.51 -1.34 0.00 0.00 175.55 173.17 3kgl s LEU 57 N 5.22 3.86 0.15 6.97 1.43 0.28 -2.39 118.68 134.20 3kgl s LEU 57 Ca 0.47 2.39 -0.34 0.00 -1.03 0.00 0.00 54.13 55.62 3kgl s LEU 57 Cb -0.09 -4.39 -0.16 0.00 0.03 0.00 0.00 46.19 41.58 3kgl s LEU 57 CO 0.26 -1.25 1.20 -2.65 0.23 0.00 0.00 176.35 174.14 3kgl n PRO 58 N -0.98 1.15 -4.10 1.29 -0.02 -1.26 -4.80 135.00 126.27 3kgl n PRO 58 Ca 0.10 0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3kgl n PRO 58 Cb 0.48 -1.93 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.09 0.32 0.12 2.55 1.04 -1.06 -1.37 113.70 115.39 3kgl s SER 59 Ca 0.76 -1.25 -0.16 0.00 0.48 0.00 0.00 55.95 55.77 3kgl s SER 59 Cb -0.88 0.54 0.03 0.00 0.10 0.00 0.00 66.02 65.81 3kgl s SER 59 CO 0.51 -1.08 0.40 0.72 0.98 0.00 0.00 173.24 174.77 3kgl s PHE 60 N -3.81 -0.20 0.40 5.02 -0.12 -0.87 -1.03 117.98 117.38 3kgl s PHE 60 Ca 0.31 -0.11 0.04 0.00 -0.05 0.00 0.00 56.93 57.12 3kgl s PHE 60 Cb 0.02 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 3kgl s PHE 60 CO 0.14 -0.70 0.05 -0.06 -0.05 0.00 0.00 175.22 174.60 3kgl s PHE 61 N -3.78 2.07 -2.01 3.49 0.08 -1.26 -0.53 117.98 116.04 3kgl s PHE 61 Ca 0.03 -0.94 0.23 0.00 0.12 0.00 0.00 56.93 56.37 3kgl s PHE 61 Cb 0.02 -1.47 0.11 0.00 -0.57 0.00 0.00 43.02 41.10 3kgl s PHE 61 CO -0.12 0.13 1.16 -1.13 -0.10 0.00 0.00 175.22 175.16 3kgl n SER 62 N -1.01 1.90 -4.33 1.36 3.41 -1.25 0.67 113.62 114.38 3kgl n SER 62 Ca -0.07 -1.43 -0.27 0.00 -0.26 0.00 0.00 58.87 56.84 3kgl n SER 62 Cb 0.66 0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 64.91 3kgl n SER 62 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kgl s THR 63 N -2.48 1.95 0.42 6.66 -4.23 -1.26 -3.91 115.64 112.80 3kgl s THR 63 Ca 0.19 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 58.89 3kgl s THR 63 Cb 0.18 -1.74 -0.10 0.00 1.34 0.00 0.00 72.50 72.18 3kgl s THR 63 CO 0.56 0.07 1.07 0.00 -0.54 0.00 0.00 174.62 175.78 3kgl n ALA 64 N 1.18 0.42 -2.58 3.99 0.00 -1.26 -4.08 120.51 118.18 3kgl n ALA 64 Ca -0.18 0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 3kgl n ALA 64 Cb 0.53 -2.12 -0.12 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.07 1.05 -0.06 0.00 2.20 -0.58 -2.50 119.74 117.78 3kgl s LYS 65 Ca 0.63 -1.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.12 3kgl s LYS 65 Cb -0.55 -1.25 0.03 0.00 -1.51 0.00 0.00 37.83 34.55 3kgl s LYS 65 CO 0.57 0.29 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.67 3kgl s LEU 66 N -1.88 0.76 0.11 5.43 0.20 -0.89 -2.42 118.68 119.99 3kgl s LEU 66 Ca 0.05 -0.09 0.09 0.00 0.69 0.00 0.00 54.13 54.86 3kgl s LEU 66 Cb -0.10 -0.43 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 3kgl s LEU 66 CO 0.04 -0.16 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.32 3kgl s SER 67 N 1.72 3.93 -0.04 3.68 0.01 -0.06 -1.88 113.70 121.06 3kgl s SER 67 Ca 0.01 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 3kgl s SER 67 Cb -0.13 -0.58 0.03 0.00 0.21 0.00 0.00 66.02 65.55 3kgl s SER 67 CO -0.04 0.19 0.02 0.12 0.41 0.00 0.00 173.24 173.93 3kgl s PHE 68 N -1.13 0.33 -0.59 2.43 5.36 0.27 -0.18 117.98 124.47 3kgl s PHE 68 Ca 0.18 0.03 -0.25 0.00 -0.96 0.00 0.00 56.93 55.93 3kgl s PHE 68 Cb -0.11 -0.53 0.04 0.00 -0.34 0.00 0.00 43.02 42.09 3kgl s PHE 68 CO 0.10 -0.20 1.01 0.54 -1.46 0.00 0.00 175.22 175.22 3kgl s VAL 69 N 1.58 4.27 0.00 3.12 0.11 -0.89 -0.51 120.40 128.08 3kgl s VAL 69 Ca -0.02 0.29 0.11 0.00 -2.93 0.00 0.00 61.98 59.43 3kgl s VAL 69 Cb -0.13 -4.62 -0.17 0.00 -1.53 0.00 0.00 36.38 29.94 3kgl s VAL 69 CO -0.03 -1.26 1.08 0.00 -3.33 0.00 0.00 175.10 171.56 3kgl h ALA 70 N 9.45 0.55 -2.79 1.54 0.00 -1.31 -1.54 119.26 125.16 3kgl h ALA 70 Ca -0.26 -0.99 -0.15 0.00 0.00 0.00 0.00 54.91 53.51 3kgl h ALA 70 Cb 1.07 0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 3kgl h ALA 70 CO 1.13 1.21 -0.49 0.15 0.00 0.00 0.00 179.25 181.25 3kgl s LYS 71 N -2.74 0.47 3.06 0.00 1.02 -1.08 -4.81 119.74 115.65 3kgl s LYS 71 Ca -0.01 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.62 3kgl s LYS 71 Cb 0.09 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 3kgl s LYS 71 CO 0.81 -0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 3kgl n GLY 72 N 1.54 0.05 3.75 -3.33 0.00 -1.24 -1.37 105.19 104.59 3kgl n GLY 72 Ca -0.22 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 3kgl n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgl s GLU 73 N 0.00 1.45 0.00 1.61 -1.05 -1.26 -2.59 118.70 116.86 3kgl s GLU 73 Ca 0.00 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 3kgl s GLU 73 Cb 0.00 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 3kgl s GLU 73 CO 0.00 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 175.96 3kgl n GLY 74 N -0.44 1.00 3.53 -3.83 0.00 -0.13 -4.35 105.19 100.96 3kgl n GLY 74 Ca -0.06 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3kgl n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgl s LEU 75 N 0.00 2.94 0.00 0.99 1.43 0.81 -0.19 118.68 124.66 3kgl s LEU 75 Ca 0.00 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 3kgl s LEU 75 Cb 0.00 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3kgl s LEU 75 CO 0.00 0.35 -0.25 0.00 0.23 0.00 0.00 176.35 176.68 3kgl s MET 76 N -0.78 2.02 -0.16 1.70 0.23 -0.65 0.50 119.30 122.16 3kgl s MET 76 Ca 0.12 -0.98 0.01 0.00 -1.03 0.00 0.00 55.69 53.81 3kgl s MET 76 Cb -0.11 -2.05 0.01 0.00 -1.53 0.00 0.00 34.83 31.16 3kgl s MET 76 CO 0.01 0.55 -0.20 0.20 -2.03 0.00 0.00 175.02 173.55 3kgl s GLY 77 N -0.89 1.39 0.08 3.16 0.00 -0.04 -2.28 107.32 108.75 3kgl s GLY 77 Ca 0.11 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3kgl s GLY 77 CO 0.01 0.11 0.08 -1.60 0.00 0.00 0.00 173.10 171.70 3kgl s ARG 78 N 1.02 2.87 -0.13 2.90 3.52 -1.24 -1.60 118.95 126.30 3kgl s ARG 78 Ca -0.02 -0.70 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 3kgl s ARG 78 Cb -0.14 -2.72 0.06 0.00 -1.56 0.00 0.00 34.95 30.59 3kgl s ARG 78 CO -0.06 0.56 0.26 0.08 -0.81 0.00 0.00 175.30 175.33 3kgl s VAL 79 N -1.41 -0.35 0.38 7.11 1.01 -1.11 -4.44 120.40 121.58 3kgl s VAL 79 Ca 0.29 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3kgl s VAL 79 Cb -0.12 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.83 3kgl s VAL 79 CO 0.22 0.11 0.07 1.33 0.00 0.00 0.00 175.10 176.82 3kgl n VAL 80 N 5.15 0.00 -2.69 2.92 0.24 -1.26 -3.32 118.33 119.37 3kgl n VAL 80 Ca -0.09 -1.71 -0.42 0.00 -2.04 0.00 0.00 64.34 60.07 3kgl n VAL 80 Cb 0.50 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 3kgl n VAL 80 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3kgl s PRO 81 N -3.40 4.43 0.00 7.34 0.02 -1.26 -4.33 135.00 137.80 3kgl s PRO 81 Ca 0.05 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.45 3kgl s PRO 81 Cb -0.00 -3.54 0.00 0.00 0.02 0.00 0.00 34.50 30.98 3kgl s PRO 81 CO 0.03 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 3kgl n GLY 82 N 3.08 3.13 3.49 0.52 0.00 -1.26 -5.03 105.19 109.12 3kgl n GLY 82 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.43 3.26 1.40 0.00 0.00 -1.26 -5.03 121.76 117.71 3kgl s ALA 84 Ca 0.68 -2.56 -0.22 0.00 0.00 0.00 0.00 51.96 49.86 3kgl s ALA 84 Cb -0.25 -4.06 0.36 0.00 0.00 0.00 0.00 23.12 19.17 3kgl s ALA 84 CO 0.64 -3.00 0.94 -1.21 0.00 0.00 0.00 175.76 173.13 3kgl s GLU 85 N 3.13 -2.77 0.00 0.00 8.01 -1.26 -4.51 118.70 121.29 3kgl s GLU 85 Ca 0.32 0.20 0.00 0.00 0.01 0.00 0.00 54.97 55.50 3kgl s GLU 85 Cb -0.07 -1.39 0.00 0.00 -4.31 0.00 0.00 34.13 28.36 3kgl s GLU 85 CO -0.06 -4.79 0.00 -3.47 0.01 0.00 0.00 175.26 166.95 3kgl n ASP 141 N -5.58 0.00 -4.03 -0.19 2.03 -1.26 -4.33 116.55 103.19 3kgl n ASP 141 Ca 0.12 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.11 3kgl n ASP 141 Cb 0.59 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.84 3kgl n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kgl s MET 142 N 0.00 1.79 0.43 -0.67 0.23 -1.26 -5.10 119.30 114.71 3kgl s MET 142 Ca 0.00 -1.61 0.04 0.00 -1.03 0.00 0.00 55.69 53.09 3kgl s MET 142 Cb 0.00 -3.03 -0.04 0.00 -1.53 0.00 0.00 34.83 30.23 3kgl s MET 142 CO 0.00 -0.77 0.05 -3.38 -2.03 0.00 0.00 175.02 168.88 3kgl s HIS 143 N 1.02 2.02 1.18 3.16 -3.43 -1.26 -5.15 115.29 112.83 3kgl s HIS 143 Ca 0.02 -0.97 -0.18 0.00 -0.80 0.00 0.00 55.06 53.13 3kgl s HIS 143 Cb -0.19 -1.48 0.28 0.00 -1.43 0.00 0.00 32.58 29.75 3kgl s HIS 143 CO -0.07 0.11 1.10 -0.65 -2.00 0.00 0.00 174.74 173.23 3kgl s GLN 144 N -3.80 -1.04 0.18 -0.38 -0.21 -1.26 -4.63 119.66 108.51 3kgl s GLN 144 Ca 0.23 0.04 -0.30 0.00 0.02 0.00 0.00 55.36 55.35 3kgl s GLN 144 Cb 0.05 -1.61 -0.08 0.00 1.00 0.00 0.00 33.01 32.38 3kgl s GLN 144 CO 0.12 -3.61 1.08 -1.59 -2.12 0.00 0.00 175.29 169.17 3kgl s LYS 145 N -5.31 4.61 0.51 2.91 -2.85 -1.26 -4.95 119.74 113.40 3kgl s LYS 145 Ca 0.70 1.69 0.01 0.00 -1.00 0.00 0.00 55.97 57.37 3kgl s LYS 145 Cb -0.11 -3.28 0.02 0.00 -2.06 0.00 0.00 37.83 32.39 3kgl s LYS 145 CO 0.56 0.11 0.73 0.08 0.10 0.00 0.00 175.35 176.93 3kgl s VAL 146 N -0.30 3.17 -0.14 1.79 1.01 -1.26 -3.65 120.40 121.01 3kgl s VAL 146 Ca 0.49 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 3kgl s VAL 146 Cb -0.29 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 32.96 3kgl s VAL 146 CO 0.35 -0.12 0.47 -1.61 0.00 0.00 0.00 175.10 174.18 3kgl s GLU 147 N -4.67 0.62 -0.19 2.72 2.02 -0.97 -5.01 118.70 113.22 3kgl s GLU 147 Ca 0.54 0.49 -0.22 0.00 0.02 0.00 0.00 54.97 55.81 3kgl s GLU 147 Cb -0.10 0.30 -0.02 0.00 0.10 0.00 0.00 34.13 34.40 3kgl s GLU 147 CO 0.38 -0.11 0.66 -1.01 0.02 0.00 0.00 175.26 175.20 3kgl s HIS 148 N -0.13 3.39 -0.06 1.61 3.76 -1.26 -1.64 115.29 120.96 3kgl s HIS 148 Ca -0.03 0.99 0.01 0.00 -0.15 0.00 0.00 55.06 55.88 3kgl s HIS 148 Cb -0.03 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 30.80 3kgl s HIS 148 CO 0.02 -0.17 -0.06 0.96 -0.85 0.00 0.00 174.74 174.64 3kgl s ILE 149 N 1.88 3.76 0.20 0.60 -4.36 0.73 -4.93 121.20 119.08 3kgl s ILE 149 Ca 0.31 -0.50 0.01 0.00 -0.26 0.00 0.00 60.65 60.20 3kgl s ILE 149 Cb -0.16 -2.55 -0.05 0.00 1.25 0.00 0.00 42.46 40.95 3kgl s ILE 149 CO 0.11 0.57 0.07 0.00 0.24 0.00 0.00 174.94 175.92 3kgl s ARG 150 N -0.91 1.19 0.16 0.37 3.03 -1.26 -0.96 118.95 120.57 3kgl s ARG 150 Ca 0.13 -1.61 -0.34 0.00 2.03 0.00 0.00 55.73 55.94 3kgl s ARG 150 Cb -0.11 -0.08 -0.15 0.00 -1.03 0.00 0.00 34.95 33.57 3kgl s ARG 150 CO 0.02 -0.25 1.36 2.41 -1.13 0.00 0.00 175.30 177.71 3kgl n THR 151 N -0.30 0.42 0.00 4.99 -1.04 -1.07 -1.76 114.28 115.53 3kgl n THR 151 Ca -0.03 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3kgl n THR 151 Cb 0.65 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 2.51 2.90 3.71 3.41 0.00 -0.58 -4.85 105.19 112.30 3kgl n GLY 152 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.31 6.84 -0.03 1.61 1.01 -0.72 -0.64 116.67 123.43 3kgl s ASP 153 Ca 0.00 2.30 -0.04 0.00 0.71 0.00 0.00 52.55 55.52 3kgl s ASP 153 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3kgl s ASP 153 CO 0.00 -0.65 0.18 -0.89 0.21 0.00 0.00 175.17 174.02 3kgl s THR 154 N 1.20 5.44 -0.08 -1.27 2.01 0.20 -2.09 115.64 121.05 3kgl s THR 154 Ca 0.64 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 3kgl s THR 154 Cb -0.36 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.66 3kgl s THR 154 CO 0.30 0.38 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.95 3kgl s ILE 155 N -1.28 0.56 -0.18 1.82 1.01 0.74 -2.44 121.20 121.43 3kgl s ILE 155 Ca 0.25 -0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 3kgl s ILE 155 Cb -0.13 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 3kgl s ILE 155 CO 0.16 0.29 0.13 0.00 0.00 0.00 0.00 174.94 175.52 3kgl s ALA 156 N 1.82 3.73 -0.06 9.38 0.00 -0.36 -0.88 121.76 135.39 3kgl s ALA 156 Ca 0.04 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3kgl s ALA 156 Cb -0.12 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 20.87 3kgl s ALA 156 CO -0.06 0.25 -0.12 0.99 0.00 0.00 0.00 175.76 176.83 3kgl s THR 157 N 0.08 1.09 0.71 0.00 2.01 -1.01 -4.89 115.64 113.63 3kgl s THR 157 Ca 0.09 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 3kgl s THR 157 Cb -0.11 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.42 3kgl s THR 157 CO -0.01 0.34 1.08 -1.00 -0.69 0.00 0.00 174.62 174.35 3kgl s HIS 158 N 0.62 2.76 0.65 4.92 3.76 -1.26 -1.53 115.29 125.21 3kgl s HIS 158 Ca -0.13 1.52 -0.17 0.00 -0.15 0.00 0.00 55.06 56.12 3kgl s HIS 158 Cb -0.15 -3.03 -0.00 0.00 1.11 0.00 0.00 32.58 30.51 3kgl s HIS 158 CO 0.03 -1.56 1.25 -2.14 -0.85 0.00 0.00 174.74 171.47 3kgl s PRO 159 N -4.68 2.56 0.00 8.40 0.02 -1.26 -2.96 135.00 137.08 3kgl s PRO 159 Ca 0.62 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3kgl s PRO 159 Cb -0.17 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3kgl s PRO 159 CO 0.51 -1.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 3kgl n GLY 160 N 0.66 0.86 3.69 0.52 0.00 0.21 -4.96 105.19 106.18 3kgl n GLY 160 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.41 5.14 0.40 1.61 1.01 -1.15 -4.83 120.40 119.16 3kgl s VAL 161 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 61.98 62.73 3kgl s VAL 161 Cb 0.00 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 3kgl s VAL 161 CO 0.00 0.25 1.01 0.00 0.00 0.00 0.00 175.10 176.37 3kgl s ALA 162 N 1.11 3.08 -0.11 5.51 0.00 -1.21 -4.30 121.76 125.84 3kgl s ALA 162 Ca 0.26 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 3kgl s ALA 162 Cb -0.15 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.77 3kgl s ALA 162 CO 0.10 -0.10 0.40 -0.65 0.00 0.00 0.00 175.76 175.52 3kgl s GLN 163 N -2.57 0.57 0.18 0.00 -0.21 -0.20 -2.77 119.66 114.66 3kgl s GLN 163 Ca 0.58 0.36 0.08 0.00 0.02 0.00 0.00 55.36 56.40 3kgl s GLN 163 Cb -0.19 0.27 -0.04 0.00 1.00 0.00 0.00 33.01 34.05 3kgl s GLN 163 CO 0.24 -0.11 -0.17 1.67 -2.12 0.00 0.00 175.29 174.81 3kgl s TRP 164 N -0.26 1.76 0.06 0.91 1.48 -0.63 -2.57 118.94 119.69 3kgl s TRP 164 Ca -0.04 -0.51 0.06 0.00 -1.06 0.00 0.00 56.10 54.55 3kgl s TRP 164 Cb -0.03 -0.85 -0.03 0.00 -1.16 0.00 0.00 33.47 31.40 3kgl s TRP 164 CO 0.02 0.34 -0.16 -0.06 -4.06 0.00 0.00 176.95 173.03 3kgl s PHE 165 N -2.40 1.34 -0.05 1.66 0.08 -1.00 -0.86 117.98 116.75 3kgl s PHE 165 Ca 0.18 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.84 3kgl s PHE 165 Cb -0.04 -0.77 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 3kgl s PHE 165 CO 0.07 0.07 -0.07 -0.47 -0.10 0.00 0.00 175.22 174.72 3kgl s TYR 166 N -1.07 0.95 -0.24 0.36 5.04 0.18 -0.11 117.35 122.47 3kgl s TYR 166 Ca 0.01 -0.30 -0.12 0.00 -2.44 0.00 0.00 57.07 54.22 3kgl s TYR 166 Cb -0.09 -0.77 -0.05 0.00 0.35 0.00 0.00 41.96 41.40 3kgl s TYR 166 CO 0.02 -0.21 0.24 1.21 -1.34 0.00 0.00 175.55 175.47 3kgl s ASN 167 N 0.79 6.20 -0.14 4.32 3.04 -0.57 -0.13 114.94 128.44 3kgl s ASN 167 Ca -0.12 0.21 -0.06 0.00 0.04 0.00 0.00 52.86 52.93 3kgl s ASN 167 Cb -0.15 -2.14 -0.25 0.00 -1.54 0.00 0.00 41.25 37.17 3kgl s ASN 167 CO 0.01 0.01 0.28 -0.90 -3.04 0.00 0.00 177.10 173.46 3kgl n ASP 168 N 4.46 2.10 -3.19 -4.21 5.68 -1.26 -2.09 116.55 118.03 3kgl n ASP 168 Ca -0.13 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3kgl n ASP 168 Cb 0.52 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 3kgl n ASP 168 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kgl n GLY 169 N 2.00 -0.82 0.06 6.12 0.00 -1.26 -4.42 105.19 106.87 3kgl n GLY 169 Ca -0.34 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 3kgl n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kgl n ASN 170 N 0.00 3.03 -4.59 1.61 3.02 -1.26 -4.22 115.26 112.85 3kgl n ASN 170 Ca 0.00 -0.06 -0.56 0.00 -0.03 0.00 0.00 54.58 53.93 3kgl n ASN 170 Cb 0.00 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.00 3kgl n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgl n GLN 171 N -2.80 0.72 -1.79 3.52 1.13 -1.26 -4.41 117.38 112.49 3kgl n GLN 171 Ca -0.21 0.26 -0.41 0.00 -1.94 0.00 0.00 57.00 54.70 3kgl n GLN 171 Cb 0.73 -1.86 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 3kgl n GLN 171 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3kgl s PRO 172 N 0.90 4.11 -0.41 -1.09 0.02 -1.26 -4.74 135.00 132.52 3kgl s PRO 172 Ca 0.90 2.58 -0.22 0.00 0.02 0.00 0.00 61.00 64.27 3kgl s PRO 172 Cb -1.10 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 30.45 3kgl s PRO 172 CO 0.55 -0.57 0.75 -1.17 -0.33 0.00 0.00 177.00 176.22 3kgl s LEU 173 N -1.58 4.25 -0.26 -5.54 2.96 0.10 -3.65 118.68 114.96 3kgl s LEU 173 Ca 0.56 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 54.41 3kgl s LEU 173 Cb -0.47 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3kgl s LEU 173 CO 0.58 -0.81 0.11 -0.69 -1.32 0.00 0.00 176.35 174.23 3kgl s VAL 174 N 3.11 4.67 -0.10 1.68 1.01 -0.47 -0.28 120.40 130.02 3kgl s VAL 174 Ca 0.29 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3kgl s VAL 174 Cb -0.13 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 3kgl s VAL 174 CO 0.20 0.31 -0.24 -0.63 0.00 0.00 0.00 175.10 174.73 3kgl s ILE 175 N 1.66 2.06 -0.12 2.22 1.01 -0.26 -0.78 121.20 126.99 3kgl s ILE 175 Ca 0.07 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3kgl s ILE 175 Cb -0.15 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.55 3kgl s ILE 175 CO 0.06 0.56 -0.22 0.54 0.00 0.00 0.00 174.94 175.88 3kgl s VAL 176 N 0.31 2.01 0.00 2.92 0.11 0.33 0.84 120.40 126.93 3kgl s VAL 176 Ca -0.18 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 57.91 3kgl s VAL 176 Cb -0.18 -1.76 -0.01 0.00 -1.53 0.00 0.00 36.38 32.91 3kgl s VAL 176 CO 0.09 0.54 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.91 3kgl s SER 177 N 0.60 0.55 -0.28 3.54 0.01 0.95 -0.56 113.70 118.51 3kgl s SER 177 Ca -0.13 -0.13 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 3kgl s SER 177 Cb -0.17 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 3kgl s SER 177 CO 0.03 0.03 0.17 0.54 0.41 0.00 0.00 173.24 174.41 3kgl s VAL 178 N -0.24 5.04 -0.24 3.43 0.11 -0.79 -0.92 120.40 126.80 3kgl s VAL 178 Ca 0.00 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.88 3kgl s VAL 178 Cb -0.03 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 3kgl s VAL 178 CO -0.00 0.23 0.56 -0.76 -3.33 0.00 0.00 175.10 171.80 3kgl s LEU 179 N 1.72 4.09 -0.60 2.54 1.43 -0.93 -2.08 118.68 124.85 3kgl s LEU 179 Ca 0.07 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.59 3kgl s LEU 179 Cb -0.16 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.37 3kgl s LEU 179 CO 0.09 -0.28 0.89 -0.62 0.23 0.00 0.00 176.35 176.67 3kgl s ASP 180 N 1.38 6.24 0.05 2.29 -1.08 -1.04 -1.01 116.67 123.49 3kgl s ASP 180 Ca 0.24 -0.79 0.05 0.00 -0.52 0.00 0.00 52.55 51.53 3kgl s ASP 180 Cb -0.16 -2.40 -0.24 0.00 -1.46 0.00 0.00 42.92 38.67 3kgl s ASP 180 CO 0.09 -1.27 1.01 -0.07 0.52 0.00 0.00 175.17 175.44 3kgl h LEU 181 N 10.91 0.13 0.00 -1.34 4.07 -0.80 -3.36 115.31 124.92 3kgl h LEU 181 Ca -0.28 -0.18 -0.14 0.00 0.08 0.00 0.00 57.88 57.37 3kgl h LEU 181 Cb 1.08 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 3kgl h LEU 181 CO 1.12 1.14 -0.79 0.00 -1.08 0.00 0.00 178.44 178.83 3kgl h ALA 182 N 0.84 0.61 -2.03 1.53 0.00 -1.47 -3.44 119.26 115.29 3kgl h ALA 182 Ca -0.15 -0.64 -0.60 0.00 0.00 0.00 0.00 54.91 53.52 3kgl h ALA 182 Cb 1.91 -0.02 0.16 0.00 0.00 0.00 0.00 17.79 19.84 3kgl h ALA 182 CO 0.13 0.82 -0.63 0.45 0.00 0.00 0.00 179.25 180.02 3kgl n SER 183 N -3.18 -1.77 0.27 0.00 2.88 -1.26 -4.83 113.62 105.74 3kgl n SER 183 Ca -0.01 0.82 0.13 0.00 -1.33 0.00 0.00 58.87 58.48 3kgl n SER 183 Cb 0.80 -1.03 0.79 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.47 0.00 0.00 0.66 2.07 -1.94 -2.57 115.15 113.84 3kgl h HIS 184 Ca -0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.11 3kgl h HIS 184 Cb 1.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.40 3kgl h HIS 184 CO 0.32 0.08 0.00 1.96 -3.07 0.00 0.00 177.93 177.21 3kgl h GLN 185 N 0.00 0.00 -5.39 5.12 4.20 -1.92 -3.35 115.11 113.77 3kgl h GLN 185 Ca -0.00 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 3kgl h GLN 185 Cb 0.21 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.84 3kgl h GLN 185 CO 0.01 0.00 0.62 1.21 -0.67 0.00 0.00 178.83 180.00 3kgl s ASN 186 N -5.03 6.26 -0.46 1.46 2.47 -0.97 -4.70 114.94 113.98 3kgl s ASN 186 Ca -0.04 -1.19 0.02 0.00 0.42 0.00 0.00 52.86 52.08 3kgl s ASN 186 Cb 0.11 -2.42 0.53 0.00 -1.45 0.00 0.00 41.25 38.02 3kgl s ASN 186 CO 0.39 -1.38 1.88 0.00 -3.72 0.00 0.00 177.10 174.27 3kgl n GLN 187 N 7.55 2.22 0.01 0.43 6.02 -1.26 -4.50 117.38 127.85 3kgl n GLN 187 Ca 0.02 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 3kgl n GLN 187 Cb 0.46 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.66 3kgl n GLN 187 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kgl n LEU 188 N -0.84 0.19 -3.59 1.08 4.32 -1.26 -5.17 117.00 111.72 3kgl n LEU 188 Ca 0.54 0.03 -0.06 0.00 -0.02 0.00 0.00 56.01 56.49 3kgl n LEU 188 Cb 1.25 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 42.98 3kgl n LEU 188 CO 0.59 -0.55 0.75 -0.62 -1.22 0.00 0.00 177.39 176.34 3kgl s ASP 189 N -5.13 -0.27 -0.77 -1.43 3.68 -1.26 -5.05 116.67 106.44 3kgl s ASP 189 Ca 0.00 -0.13 -0.01 0.00 2.13 0.00 0.00 52.55 54.54 3kgl s ASP 189 Cb 0.00 0.38 0.38 0.00 -1.45 0.00 0.00 42.92 42.23 3kgl s ASP 189 CO 0.00 -0.65 1.93 -1.14 0.13 0.00 0.00 175.17 175.44 3kgl n ARG 190 N -0.31 2.82 -4.18 4.34 3.00 -1.26 -4.90 116.66 116.17 3kgl n ARG 190 Ca -0.07 -3.58 -0.12 0.00 -0.00 0.00 0.00 57.85 54.08 3kgl n ARG 190 Cb 0.61 -2.27 -0.10 0.00 0.00 0.00 0.00 32.46 30.70 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 -1.49 1.32 -0.09 6.15 0.01 -1.26 -5.04 114.94 114.54 3kgl s ASN 191 Ca 0.54 -0.92 -0.30 0.00 -0.71 0.00 0.00 52.86 51.48 3kgl s ASN 191 Cb 0.45 0.05 -0.03 0.00 0.41 0.00 0.00 41.25 42.12 3kgl s ASN 191 CO -0.31 -0.37 1.37 -2.84 -1.51 0.00 0.00 177.10 173.45 3kgl s PRO 192 N -3.35 4.24 -0.50 -0.60 0.02 -1.26 -4.98 135.00 128.56 3kgl s PRO 192 Ca 0.09 1.85 0.04 0.00 0.02 0.00 0.00 61.00 63.00 3kgl s PRO 192 Cb 0.01 -3.76 0.13 0.00 0.02 0.00 0.00 34.50 30.91 3kgl s PRO 192 CO -0.02 -0.68 0.25 1.03 -0.33 0.00 0.00 177.00 177.24 3kgl s ARG 193 N 3.27 1.89 0.40 5.54 0.52 -1.26 -4.95 118.95 124.35 3kgl s ARG 193 Ca 0.61 -2.53 -0.24 0.00 -0.52 0.00 0.00 55.73 53.05 3kgl s ARG 193 Cb -0.27 -3.22 -0.09 0.00 0.52 0.00 0.00 34.95 31.90 3kgl s ARG 193 CO 0.21 -1.11 1.06 -1.25 0.02 0.00 0.00 175.30 174.23 3kgl s PRO 194 N -0.17 4.14 -0.27 3.54 0.04 -1.26 -3.80 135.00 137.21 3kgl s PRO 194 Ca 0.17 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.73 3kgl s PRO 194 Cb -0.26 -2.53 0.05 0.00 0.04 0.00 0.00 34.50 31.80 3kgl s PRO 194 CO -0.00 -0.16 -0.06 -0.06 0.04 0.00 0.00 177.00 176.75 3kgl s PHE 195 N -1.66 3.22 -0.13 0.56 0.08 0.31 -4.97 117.98 115.39 3kgl s PHE 195 Ca 0.58 -2.02 -0.22 0.00 0.12 0.00 0.00 56.93 55.39 3kgl s PHE 195 Cb -0.22 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 3kgl s PHE 195 CO 0.28 -0.83 0.68 0.71 -0.10 0.00 0.00 175.22 175.96 3kgl s TYR 196 N 1.20 3.48 -0.03 0.36 2.02 -1.26 -2.04 117.35 121.06 3kgl s TYR 196 Ca -0.06 1.10 0.12 0.00 -0.37 0.00 0.00 57.07 57.86 3kgl s TYR 196 Cb -0.19 -2.81 -0.02 0.00 -0.40 0.00 0.00 41.96 38.53 3kgl s TYR 196 CO -0.04 -0.05 1.39 -0.07 -1.57 0.00 0.00 175.55 175.22 3kgl h LEU 197 N 7.50 0.00 0.00 -1.29 4.07 -1.55 0.11 115.31 124.15 3kgl h LEU 197 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3kgl h LEU 197 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3kgl h LEU 197 CO 0.77 0.70 -0.45 0.00 -1.08 0.00 0.00 178.44 178.39 3kgl n ALA 198 N -2.28 3.00 -1.74 1.53 0.00 -1.26 -4.62 120.51 115.14 3kgl n ALA 198 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 3kgl n ALA 198 Cb 0.81 0.24 0.05 0.00 0.00 0.00 0.00 19.45 20.56 3kgl n ALA 198 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kgl s GLY 199 N -4.91 2.88 -0.09 0.00 0.00 -1.26 -4.65 107.32 99.29 3kgl s GLY 199 Ca 0.00 1.30 -0.05 0.00 0.00 0.00 0.00 44.72 45.98 3kgl s GLY 199 CO 0.00 1.79 0.10 0.21 0.00 0.00 0.00 173.10 175.20 3kgl s ASN 200 N -1.11 6.01 -0.65 1.64 2.47 -1.25 -3.23 114.94 118.82 3kgl s ASN 200 Ca 0.76 0.34 0.05 0.00 0.42 0.00 0.00 52.86 54.44 3kgl s ASN 200 Cb -0.40 -1.86 0.19 0.00 -1.45 0.00 0.00 41.25 37.73 3kgl s ASN 200 CO 0.45 0.38 0.54 -3.20 -3.72 0.00 0.00 177.10 171.55 3kgl n ASN 201 N 1.87 2.71 0.27 -4.21 5.15 0.51 -2.94 115.26 118.61 3kgl n ASN 201 Ca -0.18 -3.16 0.14 0.00 -0.60 0.00 0.00 54.58 50.78 3kgl n ASN 201 Cb 0.54 -0.71 0.73 0.00 -0.53 0.00 0.00 39.78 39.81 3kgl n ASN 201 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3kgl h PRO 202 N 5.08 0.00 0.00 1.20 0.11 -1.84 0.39 132.00 136.94 3kgl h PRO 202 Ca 0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 3kgl h PRO 202 Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3kgl h PRO 202 CO 0.70 0.00 -0.39 1.96 -0.21 0.00 0.00 178.00 180.06 3kgl h GLN 203 N 0.00 0.00 0.00 1.05 4.20 -1.93 -3.39 115.11 115.05 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 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 3kgl h GLN 203 CO 0.00 0.39 -0.00 0.41 -0.67 0.00 0.00 178.83 178.96 3kgl n GLY 204 N 0.85 -2.00 2.76 3.46 0.00 0.13 -4.46 105.19 105.94 3kgl n GLY 204 Ca 0.01 -1.39 -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 -0.26 3.25 0.23 1.61 6.02 -1.26 -4.71 117.38 122.26 3kgl n GLN 205 Ca 0.00 -2.99 0.10 0.00 -0.01 0.00 0.00 57.00 54.10 3kgl n GLN 205 Cb 0.00 -3.10 0.54 0.00 1.02 0.00 0.00 30.24 28.70 3kgl n GLN 205 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 3kgl h VAL 206 N 3.81 0.61 0.00 5.09 -1.51 -1.95 -2.36 116.25 119.94 3kgl h VAL 206 Ca 0.51 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3kgl h VAL 206 Cb 0.61 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 3kgl h VAL 206 CO 1.77 0.21 0.00 -2.67 -1.23 0.00 0.00 177.57 175.64 3kgl n TRP 207 N -3.50 0.00 -4.01 5.19 2.14 -1.26 -4.53 117.44 111.46 3kgl n TRP 207 Ca -0.01 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.24 3kgl n TRP 207 Cb 0.37 -0.41 -0.15 0.00 -0.81 0.00 0.00 31.31 30.32 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 -2.81 2.41 0.87 -1.67 1.01 -0.89 -4.85 121.20 115.26 3kgl s ILE 208 Ca 0.14 -1.77 -0.11 0.00 0.00 0.00 0.00 60.65 58.91 3kgl s ILE 208 Cb 0.13 -2.50 0.12 0.00 0.01 0.00 0.00 42.46 40.21 3kgl s ILE 208 CO 0.33 -0.20 1.17 -1.83 0.00 0.00 0.00 174.94 174.41 3kgl s GLU 209 N 1.09 1.29 0.00 2.79 -1.05 -1.26 -3.16 118.70 118.39 3kgl s GLU 209 Ca -0.03 1.64 0.00 0.00 -0.15 0.00 0.00 54.97 56.43 3kgl s GLU 209 Cb -0.20 -1.75 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 3kgl s GLU 209 CO -0.05 -2.45 0.00 0.41 0.95 0.00 0.00 175.26 174.12 3kgl n GLY 210 N 0.31 0.71 0.22 -3.83 0.00 -1.26 -4.94 105.19 96.40 3kgl n GLY 210 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 2.36 0.71 -2.79 1.61 2.47 -1.83 -3.48 114.38 113.43 3kgl h ARG 211 Ca 0.00 -0.51 -0.30 0.00 -1.26 0.00 0.00 59.98 57.91 3kgl h ARG 211 Cb 0.00 0.08 0.02 0.00 -1.65 0.00 0.00 29.97 28.42 3kgl h ARG 211 CO 0.00 1.13 -0.42 0.39 0.56 0.00 0.00 179.97 181.63 3kgl n GLU 212 N -3.95 -2.43 -3.06 0.04 1.02 -1.26 -4.05 120.64 106.96 3kgl n GLU 212 Ca -0.05 0.70 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3kgl n GLU 212 Cb 0.67 -5.05 0.04 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 -2.81 -4.18 -4.26 3.49 6.02 -1.26 -5.02 117.38 109.35 3kgl n GLN 213 Ca -0.13 0.45 -0.27 0.00 -0.01 0.00 0.00 57.00 57.04 3kgl n GLN 213 Cb 0.61 -4.35 -0.09 0.00 1.02 0.00 0.00 30.24 27.43 3kgl n GLN 213 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3kgl s GLN 214 N -5.66 2.16 0.84 -1.09 -2.07 -1.26 -5.01 119.66 107.56 3kgl s GLN 214 Ca 0.31 -1.20 -0.10 0.00 -1.82 0.00 0.00 55.36 52.54 3kgl s GLN 214 Cb -0.13 -2.23 0.10 0.00 -1.09 0.00 0.00 33.01 29.66 3kgl s GLN 214 CO 0.38 0.45 1.12 -2.14 -1.32 0.00 0.00 175.29 173.77 3kgl s PRO 215 N -2.80 1.69 -0.38 9.60 0.02 -1.26 -3.83 135.00 138.05 3kgl s PRO 215 Ca 0.25 1.34 -0.00 0.00 0.02 0.00 0.00 61.00 62.61 3kgl s PRO 215 Cb -0.09 -1.82 0.10 0.00 0.02 0.00 0.00 34.50 32.71 3kgl s PRO 215 CO 0.16 -2.09 0.14 -1.14 -0.33 0.00 0.00 177.00 173.74 3kgl s GLN 216 N -4.79 1.83 0.81 5.54 0.74 -0.80 -4.78 119.66 118.21 3kgl s GLN 216 Ca 0.64 -1.82 -0.11 0.00 0.05 0.00 0.00 55.36 54.12 3kgl s GLN 216 Cb -0.20 -3.43 0.11 0.00 1.10 0.00 0.00 33.01 30.59 3kgl s GLN 216 CO 0.57 -1.01 1.15 -1.59 -0.55 0.00 0.00 175.29 173.87 3kgl s LYS 217 N 1.06 1.67 0.73 1.67 0.00 -1.26 -0.36 119.74 123.25 3kgl s LYS 217 Ca 0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 55.97 55.73 3kgl s LYS 217 Cb -0.21 -2.02 0.03 0.00 0.00 0.00 0.00 37.83 35.63 3kgl s LYS 217 CO -0.05 -1.69 1.07 0.54 0.00 0.00 0.00 175.35 175.22 3kgl s ASN 218 N -4.65 5.01 0.32 0.03 2.20 -1.20 -4.81 114.94 111.84 3kgl s ASN 218 Ca 0.65 1.55 0.09 0.00 -0.94 0.00 0.00 52.86 54.21 3kgl s ASN 218 Cb -0.09 -2.37 0.90 0.00 -2.00 0.00 0.00 41.25 37.70 3kgl s ASN 218 CO 0.48 -1.67 1.69 0.40 -2.94 0.00 0.00 177.10 175.07 3kgl h ILE 219 N -0.88 0.43 0.00 0.54 1.08 -1.04 -0.12 117.51 117.52 3kgl h ILE 219 Ca -0.45 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 63.82 3kgl h ILE 219 Cb 1.23 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 3kgl h ILE 219 CO 0.57 0.08 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.79 3kgl h LEU 220 N 0.43 0.00 -1.75 1.44 4.07 -1.82 -2.76 115.31 114.93 3kgl h LEU 220 Ca 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.58 3kgl h LEU 220 Cb 1.32 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.06 3kgl h LEU 220 CO -0.54 0.24 -0.12 -1.13 -1.08 0.00 0.00 178.44 175.81 3kgl h ASN 221 N 0.00 0.00 1.19 -0.43 -0.73 -1.24 -2.69 115.58 111.67 3kgl h ASN 221 Ca -0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 3kgl h ASN 221 Cb 0.53 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 3kgl h ASN 221 CO 0.03 0.12 -0.28 1.23 -0.37 0.00 0.00 177.43 178.16 3kgl h GLY 222 N 1.22 0.00 -2.02 1.57 0.00 -1.57 -3.44 103.07 98.83 3kgl h GLY 222 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3kgl h GLY 222 CO 0.02 0.00 0.23 -1.36 0.00 0.00 0.00 176.54 175.42 3kgl s PHE 223 N -3.41 3.51 0.58 5.60 0.08 -1.02 -5.05 117.98 118.28 3kgl s PHE 223 Ca 0.02 1.14 -0.18 0.00 0.12 0.00 0.00 56.93 58.03 3kgl s PHE 223 Cb 0.09 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3kgl s PHE 223 CO 0.67 -0.30 1.13 0.95 -0.10 0.00 0.00 175.22 177.57 3kgl s THR 224 N -2.64 3.11 0.31 0.64 -4.23 -1.26 -4.95 115.64 106.62 3kgl s THR 224 Ca 0.53 0.64 0.15 0.00 -1.18 0.00 0.00 61.69 61.83 3kgl s THR 224 Cb -0.10 -3.22 0.10 0.00 1.34 0.00 0.00 72.50 70.61 3kgl s THR 224 CO 0.38 -0.20 1.78 -0.65 -0.54 0.00 0.00 174.62 175.39 3kgl h PRO 225 N 0.85 0.00 -0.07 3.99 0.11 -1.94 -2.84 132.00 132.10 3kgl h PRO 225 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 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 0.56 0.40 -0.01 1.05 -0.21 0.00 0.00 178.00 179.79 3kgl h GLU 226 N 0.00 0.13 -0.63 1.05 9.09 -1.92 -0.56 114.58 121.73 3kgl h GLU 226 Ca -0.00 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 59.34 3kgl h GLU 226 Cb 0.78 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.84 3kgl h GLU 226 CO 0.05 0.42 0.31 -0.24 0.05 0.00 0.00 179.01 179.60 3kgl h VAL 227 N -0.18 1.20 -0.11 -1.06 3.04 -1.95 -0.13 116.25 117.06 3kgl h VAL 227 Ca 0.02 -0.56 0.04 0.00 -1.01 0.00 0.00 66.70 65.19 3kgl h VAL 227 Cb 0.37 0.39 -0.05 0.00 -2.01 0.00 0.00 31.29 29.99 3kgl h VAL 227 CO 0.00 0.24 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.56 3kgl h LEU 228 N 0.89 -0.52 -0.31 3.16 4.07 -1.45 -2.13 115.31 119.01 3kgl h LEU 228 Ca 0.22 0.09 0.07 0.00 0.08 0.00 0.00 57.88 58.34 3kgl h LEU 228 Cb 0.08 0.24 -0.06 0.00 1.08 0.00 0.00 40.66 42.00 3kgl h LEU 228 CO -0.03 -0.22 -0.11 0.00 -1.08 0.00 0.00 178.44 177.00 3kgl h ALA 229 N 0.80 0.16 0.00 1.53 0.00 0.28 -0.89 119.26 121.14 3kgl h ALA 229 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kgl h ALA 229 Cb 0.35 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kgl h ALA 229 CO -0.24 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.15 3kgl n LYS 230 N -5.29 0.10 -0.05 0.00 5.02 -0.20 -1.13 118.16 116.60 3kgl n LYS 230 Ca 0.00 0.31 -0.17 0.00 -2.02 0.00 0.00 58.31 56.43 3kgl n LYS 230 Cb 0.20 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.40 3kgl n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kgl n ALA 231 N -1.63 1.21 0.49 7.82 0.00 -0.43 -4.29 120.51 123.67 3kgl n ALA 231 Ca 0.03 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.72 3kgl n ALA 231 Cb 0.22 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 3kgl n ALA 231 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kgl n PHE 232 N -3.28 0.17 -3.09 0.00 3.72 -0.67 -4.97 117.46 109.33 3kgl n PHE 232 Ca -0.35 0.05 -0.15 0.00 -0.05 0.00 0.00 57.45 56.95 3kgl n PHE 232 Cb 1.04 -0.38 0.04 0.00 -0.94 0.00 0.00 39.48 39.24 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 -1.97 -4.60 -3.91 -1.08 4.76 -0.29 -5.04 118.16 106.03 3kgl n LYS 233 Ca 0.01 0.52 -0.24 0.00 -2.87 0.00 0.00 58.31 55.73 3kgl n LYS 233 Cb 0.45 -4.62 -0.04 0.00 -1.84 0.00 0.00 35.03 28.98 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 -3.15 2.19 0.44 -0.18 -4.36 -0.78 -5.03 121.20 110.33 3kgl s ILE 234 Ca 0.33 -1.54 -0.24 0.00 -0.26 0.00 0.00 60.65 58.94 3kgl s ILE 234 Cb -0.15 -2.73 -0.08 0.00 1.25 0.00 0.00 42.46 40.75 3kgl s ILE 234 CO 0.41 0.00 1.19 -1.81 0.24 0.00 0.00 174.94 174.97 3kgl s ASP 235 N -4.08 6.22 0.55 4.36 1.01 -1.26 -4.63 116.67 118.84 3kgl s ASP 235 Ca 0.40 2.38 0.27 0.00 0.71 0.00 0.00 52.55 56.31 3kgl s ASP 235 Cb 0.00 -2.61 1.46 0.00 1.01 0.00 0.00 42.92 42.78 3kgl s ASP 235 CO 0.23 -0.89 1.98 0.58 0.21 0.00 0.00 175.17 177.29 3kgl h VAL 236 N 2.03 0.61 0.00 -1.27 2.07 -1.93 0.11 116.25 117.87 3kgl h VAL 236 Ca -0.49 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 66.83 3kgl h VAL 236 Cb 1.25 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3kgl h VAL 236 CO 0.61 0.00 -0.92 0.08 0.02 0.00 0.00 177.57 177.36 3kgl h ARG 237 N 0.00 0.02 -0.04 1.57 -0.00 -1.94 -2.70 114.38 111.29 3kgl h ARG 237 Ca 0.23 -0.02 -0.18 0.00 -0.00 0.00 0.00 59.98 60.01 3kgl h ARG 237 Cb 1.02 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.98 3kgl h ARG 237 CO -0.00 0.92 -0.76 1.15 -0.00 0.00 0.00 179.97 181.28 3kgl h THR 238 N 0.01 1.43 0.19 0.08 2.02 -1.34 -2.98 112.91 112.31 3kgl h THR 238 Ca -0.01 -2.30 0.01 0.00 0.77 0.00 0.00 66.41 64.88 3kgl h THR 238 Cb 1.61 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 70.22 3kgl h THR 238 CO 0.12 0.68 -0.33 0.00 0.37 0.00 0.00 175.52 176.36 3kgl h ALA 239 N 1.03 -0.61 -0.67 6.16 0.00 -0.78 -2.50 119.26 121.89 3kgl h ALA 239 Ca -0.03 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.95 3kgl h ALA 239 Cb 1.34 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 3kgl h ALA 239 CO 0.12 -0.90 0.45 1.96 0.00 0.00 0.00 179.25 180.89 3kgl h GLN 240 N -0.60 0.29 -0.74 0.00 4.20 -1.48 -1.99 115.11 114.79 3kgl h GLN 240 Ca 0.01 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3kgl h GLN 240 Cb 0.60 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3kgl h GLN 240 CO -0.15 0.19 0.45 1.96 -0.67 0.00 0.00 178.83 180.61 3kgl h GLN 241 N 0.30 0.84 0.00 1.46 1.08 -1.29 -0.99 115.11 116.51 3kgl h GLN 241 Ca 0.32 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3kgl h GLN 241 Cb 0.85 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3kgl h GLN 241 CO -0.08 0.56 0.00 1.28 -0.95 0.00 0.00 178.83 179.64 3kgl n LEU 242 N -4.67 0.46 -0.01 1.46 4.77 -0.75 -2.25 117.00 116.01 3kgl n LEU 242 Ca 0.09 0.62 0.14 0.00 -0.03 0.00 0.00 56.01 56.83 3kgl n LEU 242 Cb 0.12 -0.57 0.66 0.00 -2.33 0.00 0.00 43.42 41.29 3kgl n LEU 242 CO 0.32 -0.50 0.96 0.00 -1.33 0.00 0.00 177.39 176.83 3kgl n GLN 243 N -2.01 0.19 -3.89 3.23 6.02 -0.38 -4.73 117.38 115.82 3kgl n GLN 243 Ca 0.02 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.68 3kgl n GLN 243 Cb 0.19 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.39 -1.51 -4.67 1.08 5.03 -0.95 -4.52 115.26 108.32 3kgl n ASN 244 Ca 0.10 -0.83 -0.45 0.00 0.87 0.00 0.00 54.58 54.27 3kgl n ASN 244 Cb 0.30 -1.35 -0.03 0.00 -1.02 0.00 0.00 39.78 37.69 3kgl n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kgl n GLN 245 N -3.45 2.05 -0.26 3.52 6.02 -1.26 -2.04 117.38 121.96 3kgl n GLN 245 Ca 0.09 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 3kgl n GLN 245 Cb 0.42 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.29 3kgl n GLN 245 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3kgl n GLN 246 N 1.98 0.00 -1.68 -1.09 1.13 -1.26 -4.90 117.38 111.56 3kgl n GLN 246 Ca 0.11 0.00 -0.50 0.00 -1.94 0.00 0.00 57.00 54.68 3kgl n GLN 246 Cb 0.32 -3.68 -0.05 0.00 0.11 0.00 0.00 30.24 26.94 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 3.03 -0.06 1.08 -0.08 -0.87 -4.88 116.55 114.77 3kgl n ASP 247 Ca 0.00 1.03 0.12 0.00 -1.51 0.00 0.00 54.79 54.42 3kgl n ASP 247 Cb 0.00 -1.33 0.16 0.00 2.34 0.00 0.00 41.12 42.29 3kgl n ASP 247 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3kgl n ASN 248 N 5.30 0.78 0.04 1.67 5.03 -1.26 -4.55 115.26 122.26 3kgl n ASN 248 Ca 0.22 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 55.08 3kgl n ASN 248 Cb 0.26 0.43 0.32 0.00 -1.02 0.00 0.00 39.78 39.77 3kgl n ASN 248 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 3kgl h ARG 249 N 0.30 0.44 0.00 3.52 3.08 -1.90 -3.45 114.38 116.37 3kgl h ARG 249 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3kgl h ARG 249 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3kgl h ARG 249 CO 0.00 0.51 0.00 0.41 -1.07 0.00 0.00 179.97 179.82 3kgl n GLY 250 N -0.85 -1.71 0.01 0.04 0.00 -1.15 -0.41 105.19 101.12 3kgl n GLY 250 Ca 0.01 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 0.01 0.31 -4.31 1.61 2.85 -1.26 -3.87 115.26 110.61 3kgl n ASN 251 Ca 0.00 -0.28 -0.46 0.00 -0.11 0.00 0.00 54.58 53.73 3kgl n ASN 251 Cb 0.00 1.67 -0.04 0.00 1.24 0.00 0.00 39.78 42.65 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 -3.36 5.28 0.31 -1.44 1.01 -1.25 -0.56 121.20 121.18 3kgl s ILE 252 Ca -0.03 -1.98 0.04 0.00 0.00 0.00 0.00 60.65 58.68 3kgl s ILE 252 Cb 0.15 -4.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3kgl s ILE 252 CO 0.89 -0.93 0.46 0.27 0.00 0.00 0.00 174.94 175.64 3kgl s ILE 253 N 0.92 4.78 -0.07 2.92 -5.25 0.17 -0.94 121.20 123.73 3kgl s ILE 253 Ca 0.10 -0.83 -0.13 0.00 -0.99 0.00 0.00 60.65 58.80 3kgl s ILE 253 Cb -0.21 -3.70 -0.05 0.00 2.95 0.00 0.00 42.46 41.45 3kgl s ILE 253 CO -0.03 -0.33 0.33 -0.60 -1.79 0.00 0.00 174.94 172.53 3kgl s ARG 254 N -4.17 3.95 -0.18 0.37 3.52 -1.26 0.04 118.95 121.22 3kgl s ARG 254 Ca 0.40 0.23 -0.22 0.00 -0.13 0.00 0.00 55.73 56.01 3kgl s ARG 254 Cb -0.09 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3kgl s ARG 254 CO 0.32 0.55 0.69 0.08 -0.81 0.00 0.00 175.30 176.13 3kgl s VAL 255 N -0.54 4.98 -0.02 7.11 1.01 -0.25 -4.95 120.40 127.75 3kgl s VAL 255 Ca 0.20 1.33 -0.27 0.00 0.00 0.00 0.00 61.98 63.24 3kgl s VAL 255 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3kgl s VAL 255 CO 0.09 0.09 0.87 -1.10 0.00 0.00 0.00 175.10 175.05 3kgl s GLN 256 N 1.93 4.52 4.05 2.72 -1.52 -1.26 -4.81 119.66 125.28 3kgl s GLN 256 Ca 0.32 1.21 0.00 0.00 -1.95 0.00 0.00 55.36 54.94 3kgl s GLN 256 Cb -0.16 -3.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.18 3kgl s GLN 256 CO 0.11 0.01 0.00 0.41 -0.25 0.00 0.00 175.29 175.58 3kgl n GLY 257 N 2.93 0.63 0.00 3.09 0.00 -1.26 -4.92 105.19 105.66 3kgl n GLY 257 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 7.88 1.68 -2.98 1.61 -0.04 -1.26 -5.09 135.00 136.81 3kgl n PRO 258 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 3kgl n PRO 258 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 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 -0.62 -1.71 -0.61 0.54 7.35 -1.26 -5.00 117.46 116.15 3kgl n PHE 259 Ca 0.00 -2.75 -0.07 0.00 -0.76 0.00 0.00 57.45 53.88 3kgl n PHE 259 Cb 0.00 0.57 -0.09 0.00 0.35 0.00 0.00 39.48 40.31 3kgl n PHE 259 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3kgl n SER 260 N 1.31 3.45 0.23 -2.13 3.41 -1.26 -4.50 113.62 114.13 3kgl n SER 260 Ca 0.15 -2.11 -0.09 0.00 -0.26 0.00 0.00 58.87 56.56 3kgl n SER 260 Cb 0.60 -0.90 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 3kgl n SER 260 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kgl h VAL 261 N 2.19 0.00 -4.15 -3.33 2.07 -2.04 -3.45 116.25 107.55 3kgl h VAL 261 Ca 0.11 -0.24 -0.50 0.00 0.82 0.00 0.00 66.70 66.89 3kgl h VAL 261 Cb 0.94 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 30.45 3kgl h VAL 261 CO 0.27 0.00 -0.82 -0.51 0.02 0.00 0.00 177.57 176.54 3kgl s ILE 262 N -3.79 1.30 -0.24 4.57 -1.16 -1.26 -5.05 121.20 115.57 3kgl s ILE 262 Ca -0.09 -0.94 -0.26 0.00 -0.51 0.00 0.00 60.65 58.85 3kgl s ILE 262 Cb 0.01 -1.13 0.00 0.00 0.61 0.00 0.00 42.46 41.95 3kgl s ILE 262 CO 0.27 0.17 0.90 0.00 -2.81 0.00 0.00 174.94 173.47 3kgl s ARG 263 N -0.89 4.19 -0.79 3.50 3.03 -1.26 -4.99 118.95 121.75 3kgl s ARG 263 Ca 0.05 1.06 -0.26 0.00 2.03 0.00 0.00 55.73 58.61 3kgl s ARG 263 Cb -0.07 -3.65 -0.00 0.00 -1.03 0.00 0.00 34.95 30.20 3kgl s ARG 263 CO 0.01 -0.57 1.65 -2.14 -1.13 0.00 0.00 175.30 173.11 3kgl s PRO 264 N 2.98 2.94 -0.27 3.89 0.02 -1.26 -4.93 135.00 138.38 3kgl s PRO 264 Ca 0.38 -0.14 -0.33 0.00 0.02 0.00 0.00 61.00 60.92 3kgl s PRO 264 Cb -0.15 -4.67 -0.10 0.00 0.02 0.00 0.00 34.50 29.60 3kgl s PRO 264 CO 0.07 -2.63 2.14 -2.30 -0.33 0.00 0.00 177.00 173.96 3kgl n PRO 265 N 9.11 1.47 0.00 5.54 -0.02 -1.26 -4.73 135.00 145.11 3kgl n PRO 265 Ca 0.23 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 62.22 3kgl n PRO 265 Cb 0.50 -2.68 0.38 0.00 -0.02 0.00 0.00 33.50 31.69 3kgl n PRO 265 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kgl n LEU 266 N 9.69 0.00 -0.04 2.45 4.77 -1.26 -3.15 117.00 129.46 3kgl n LEU 266 Ca 0.35 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 56.57 3kgl n LEU 266 Cb 0.29 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 3kgl n LEU 266 CO 0.73 -0.17 0.52 0.03 -1.33 0.00 0.00 177.39 177.18 3kgl h ARG 267 N 0.00 0.00 -2.06 3.23 -0.00 -2.01 -3.57 114.38 109.96 3kgl h ARG 267 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3kgl h ARG 267 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.18 3kgl h ARG 267 CO 0.00 0.72 -0.23 0.43 0.00 0.00 0.00 179.97 180.89 3kgl n SER 268 N -4.74 -3.71 0.00 7.04 7.64 -1.19 -5.31 113.62 113.34 3kgl n SER 268 Ca -0.09 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.15 3kgl n SER 268 Cb 0.35 -1.99 0.00 0.00 -1.01 0.00 0.00 64.21 61.57 3kgl n SER 268 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3kgl n GLU 280 N 0.45 0.00 -0.21 1.43 4.07 -1.26 -5.16 120.64 119.96 3kgl n GLU 280 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 3kgl n GLU 280 Cb 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 31.44 31.53 3kgl n GLU 280 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3kgl n THR 281 N 0.00 0.60 -3.88 6.31 -1.04 -1.26 -4.53 114.28 110.49 3kgl n THR 281 Ca 0.00 -0.47 -0.30 0.00 -2.04 0.00 0.00 64.05 61.24 3kgl n THR 281 Cb 0.00 0.07 -0.12 0.00 -1.82 0.00 0.00 70.33 68.46 3kgl n THR 281 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3kgl s ILE 282 N -1.62 2.97 -0.55 12.58 -0.00 -1.26 -4.77 121.20 128.55 3kgl s ILE 282 Ca 0.22 -3.79 0.23 0.00 -0.00 0.00 0.00 60.65 57.30 3kgl s ILE 282 Cb 0.13 -2.98 -0.12 0.00 -0.00 0.00 0.00 42.46 39.49 3kgl s ILE 282 CO 0.13 -0.93 0.99 0.00 -0.00 0.00 0.00 174.94 175.13 3kgl n SER 284 N -2.02 0.68 -4.52 0.00 7.64 -1.26 -4.96 113.62 109.17 3kgl n SER 284 Ca 0.01 0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.58 3kgl n SER 284 Cb 0.45 0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.82 3kgl n SER 284 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kgl n ALA 285 N -1.80 -0.76 -2.37 -0.43 0.00 -1.25 -4.96 120.51 108.94 3kgl n ALA 285 Ca 0.03 0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 3kgl n ALA 285 Cb 0.43 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 3kgl n ALA 285 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3kgl s ARG 286 N -1.85 4.34 0.00 0.00 1.70 -1.26 -4.99 118.95 116.89 3kgl s ARG 286 Ca 0.65 0.83 0.03 0.00 -0.47 0.00 0.00 55.73 56.76 3kgl s ARG 286 Cb -0.57 -3.31 0.07 0.00 -0.57 0.00 0.00 34.95 30.57 3kgl s ARG 286 CO 0.56 0.44 0.93 0.00 -1.08 0.00 0.00 175.30 176.15 3kgl s THR 288 N -0.78 2.24 -0.05 0.00 2.01 -1.26 -1.22 115.64 116.59 3kgl s THR 288 Ca 0.05 -1.44 -0.24 0.00 0.31 0.00 0.00 61.69 60.37 3kgl s THR 288 Cb 0.03 -1.91 0.05 0.00 0.01 0.00 0.00 72.50 70.68 3kgl s THR 288 CO 0.04 0.31 0.52 -0.62 -0.69 0.00 0.00 174.62 174.18 3kgl s ASP 289 N -1.44 -0.46 -0.02 3.53 2.15 -1.02 -4.99 116.67 114.42 3kgl s ASP 289 Ca 0.13 0.49 -0.22 0.00 0.43 0.00 0.00 52.55 53.38 3kgl s ASP 289 Cb -0.10 0.48 -0.05 0.00 -0.30 0.00 0.00 42.92 42.96 3kgl s ASP 289 CO 0.03 -0.52 0.64 0.21 -0.17 0.00 0.00 175.17 175.36 3kgl s ASN 290 N -1.15 6.99 -0.16 -0.34 3.84 -1.26 -0.63 114.94 122.22 3kgl s ASN 290 Ca -0.11 1.18 0.16 0.00 0.21 0.00 0.00 52.86 54.30 3kgl s ASN 290 Cb -0.02 -2.39 -0.24 0.00 -0.55 0.00 0.00 41.25 38.05 3kgl s ASN 290 CO 0.07 0.02 0.23 0.18 -2.79 0.00 0.00 177.10 174.81 3kgl n LEU 291 N 3.11 0.27 0.00 3.21 4.77 0.19 -4.17 117.00 124.38 3kgl n LEU 291 Ca -0.05 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.11 3kgl n LEU 291 Cb 0.51 0.39 0.35 0.00 -2.33 0.00 0.00 43.42 42.34 3kgl n LEU 291 CO 0.45 0.47 0.57 0.47 -1.33 0.00 0.00 177.39 178.02 3kgl n ASP 292 N -2.84 0.00 -4.49 -1.43 8.00 -1.25 -4.62 116.55 109.93 3kgl n ASP 292 Ca -0.29 -0.36 -0.43 0.00 0.71 0.00 0.00 54.79 54.43 3kgl n ASP 292 Cb 1.13 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 42.18 3kgl n ASP 292 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kgl s ASP 293 N -2.02 6.26 0.14 -2.24 2.15 -1.26 -4.90 116.67 114.81 3kgl s ASP 293 Ca 0.18 -0.67 0.22 0.00 0.43 0.00 0.00 52.55 52.71 3kgl s ASP 293 Cb 0.08 -2.41 0.88 0.00 -0.30 0.00 0.00 42.92 41.17 3kgl s ASP 293 CO 0.14 -1.26 1.68 -2.65 -0.17 0.00 0.00 175.17 172.91 3kgl n PRO 294 N 7.37 0.13 -0.35 4.34 -0.02 -1.26 -1.57 135.00 143.63 3kgl n PRO 294 Ca -0.02 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.81 3kgl n PRO 294 Cb 0.46 -1.70 0.25 0.00 -0.02 0.00 0.00 33.50 32.49 3kgl n PRO 294 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3kgl h SER 295 N 0.00 0.92 -0.73 2.55 0.02 -1.96 -2.81 113.55 111.53 3kgl h SER 295 Ca 0.00 0.04 -0.33 0.00 -0.84 0.00 0.00 61.79 60.65 3kgl h SER 295 Cb 0.42 -0.15 -0.20 0.00 0.14 0.00 0.00 62.40 62.61 3kgl h SER 295 CO 0.00 0.51 0.34 0.59 -1.14 0.00 0.00 176.83 177.12 3kgl n ASN 296 N -4.58 3.63 -4.84 3.07 4.13 -0.61 -5.00 115.26 111.06 3kgl n ASN 296 Ca 0.18 -3.55 -0.33 0.00 1.68 0.00 0.00 54.58 52.57 3kgl n ASN 296 Cb 0.33 -0.75 -0.06 0.00 -1.54 0.00 0.00 39.78 37.76 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 -3.20 3.18 0.01 5.41 0.00 -1.06 -4.60 121.76 121.49 3kgl s ALA 297 Ca 0.52 0.20 0.14 0.00 0.00 0.00 0.00 51.96 52.82 3kgl s ALA 297 Cb 0.44 -2.96 0.17 0.00 0.00 0.00 0.00 23.12 20.77 3kgl s ALA 297 CO 0.08 0.19 1.49 -0.44 0.00 0.00 0.00 175.76 177.07 3kgl h ASP 298 N 1.96 0.00 -3.75 0.00 5.19 -1.18 -3.44 116.42 115.19 3kgl h ASP 298 Ca -0.48 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.78 3kgl h ASP 298 Cb 1.18 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.43 3kgl h ASP 298 CO 0.63 0.59 -0.36 0.54 -3.12 0.00 0.00 179.24 177.53 3kgl s VAL 299 N -3.09 -0.01 -0.44 -1.35 0.11 -0.93 -4.99 120.40 109.70 3kgl s VAL 299 Ca 0.02 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 3kgl s VAL 299 Cb 0.09 -0.45 0.19 0.00 -1.53 0.00 0.00 36.38 34.68 3kgl s VAL 299 CO 0.75 0.01 0.41 0.00 -3.33 0.00 0.00 175.10 172.94 3kgl n TYR 300 N 3.14 -0.33 -3.17 1.54 9.36 -1.26 -1.83 117.16 124.61 3kgl n TYR 300 Ca -0.15 -3.47 -0.45 0.00 3.32 0.00 0.00 57.90 57.15 3kgl n TYR 300 Cb 0.57 0.03 -0.03 0.00 -0.63 0.00 0.00 39.34 39.27 3kgl n TYR 300 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3kgl s LYS 301 N -0.43 3.34 0.44 2.98 -0.14 -1.05 -4.95 119.74 119.93 3kgl s LYS 301 Ca 0.33 -1.84 0.14 0.00 -1.36 0.00 0.00 55.97 53.24 3kgl s LYS 301 Cb 0.07 -4.46 1.05 0.00 -1.68 0.00 0.00 37.83 32.81 3kgl s LYS 301 CO -0.17 -1.48 2.00 -1.35 -0.76 0.00 0.00 175.35 173.59 3kgl h PRO 302 N 8.61 0.36 -0.40 -1.68 0.11 -1.97 0.50 132.00 137.53 3kgl h PRO 302 Ca -0.07 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 3kgl h PRO 302 Cb 1.06 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3kgl h PRO 302 CO 0.98 0.24 -0.03 -0.56 -0.21 0.00 0.00 178.00 178.42 3kgl h GLN 303 N 0.37 0.65 0.00 1.05 3.07 -2.02 -3.37 115.11 114.86 3kgl h GLN 303 Ca 0.24 -0.17 -0.05 0.00 0.09 0.00 0.00 58.65 58.76 3kgl h GLN 303 Cb 0.45 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 3kgl h GLN 303 CO -0.06 0.69 -0.75 1.28 0.09 0.00 0.00 178.83 180.08 3kgl n LEU 304 N -4.23 1.84 0.00 0.06 4.32 0.15 -4.77 117.00 114.36 3kgl n LEU 304 Ca 0.02 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 3kgl n LEU 304 Cb 0.29 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 41.22 3kgl n LEU 304 CO 0.40 -0.30 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 3kgl n GLY 305 N 1.56 -2.34 3.23 -0.72 0.00 0.41 -0.52 105.19 106.80 3kgl n GLY 305 Ca -0.13 -1.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.31 1.52 -0.02 1.61 -0.85 -0.05 -2.52 117.35 114.72 3kgl s TYR 306 Ca 0.00 -0.43 0.06 0.00 -0.52 0.00 0.00 57.07 56.18 3kgl s TYR 306 Cb 0.00 -0.85 -0.01 0.00 0.38 0.00 0.00 41.96 41.48 3kgl s TYR 306 CO 0.00 0.13 -0.19 0.42 -1.52 0.00 0.00 175.55 174.39 3kgl s ILE 307 N -1.18 1.54 -0.00 -3.49 1.01 -0.76 -1.20 121.20 117.11 3kgl s ILE 307 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3kgl s ILE 307 Cb -0.10 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 3kgl s ILE 307 CO 0.03 0.44 -0.09 -0.55 0.00 0.00 0.00 174.94 174.76 3kgl s SER 308 N -0.38 1.09 0.38 3.58 0.15 0.16 -0.56 113.70 118.11 3kgl s SER 308 Ca 0.06 -0.20 0.08 0.00 0.70 0.00 0.00 55.95 56.59 3kgl s SER 308 Cb -0.08 -0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 64.06 3kgl s SER 308 CO -0.00 0.09 0.06 0.28 1.20 0.00 0.00 173.24 174.87 3kgl s THR 309 N -0.31 2.40 -0.37 6.45 -1.32 -1.26 0.56 115.64 121.80 3kgl s THR 309 Ca 0.03 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.62 3kgl s THR 309 Cb -0.04 -2.90 0.14 0.00 -1.51 0.00 0.00 72.50 68.19 3kgl s THR 309 CO -0.00 -0.10 0.21 -0.76 -2.21 0.00 0.00 174.62 171.76 3kgl s LEU 310 N -3.77 1.32 0.76 9.08 1.43 0.16 -4.93 118.68 122.74 3kgl s LEU 310 Ca 0.37 -2.23 -0.04 0.00 -1.03 0.00 0.00 54.13 51.21 3kgl s LEU 310 Cb 0.03 -0.53 0.14 0.00 0.03 0.00 0.00 46.19 45.86 3kgl s LEU 310 CO 0.20 -0.31 1.05 0.20 0.23 0.00 0.00 176.35 177.73 3kgl s ASN 311 N 0.98 4.14 0.47 2.29 0.02 -1.26 -3.27 114.94 118.31 3kgl s ASN 311 Ca 0.17 -0.22 0.17 0.00 -1.02 0.00 0.00 52.86 51.97 3kgl s ASN 311 Cb -0.23 -0.11 1.12 0.00 0.02 0.00 0.00 41.25 42.05 3kgl s ASN 311 CO -0.01 -2.01 2.02 0.77 0.02 0.00 0.00 177.10 177.88 3kgl h SER 312 N -0.73 0.00 0.90 -1.22 4.64 -1.30 -2.02 113.55 113.82 3kgl h SER 312 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3kgl h SER 312 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kgl h SER 312 CO 0.40 0.17 0.00 -1.22 -0.87 0.00 0.00 176.83 175.31 3kgl n TYR 313 N -4.17 0.42 -0.08 4.77 4.01 -1.26 -2.33 117.16 118.51 3kgl n TYR 313 Ca -0.02 0.14 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 3kgl n TYR 313 Cb 0.24 -0.73 -0.13 0.00 -0.31 0.00 0.00 39.34 38.41 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 -1.86 1.09 -3.57 7.72 8.00 -0.99 -4.83 116.55 122.11 3kgl n ASP 314 Ca 0.04 -0.01 -0.29 0.00 0.71 0.00 0.00 54.79 55.24 3kgl n ASP 314 Cb 0.29 0.76 -0.14 0.00 -0.02 0.00 0.00 41.12 42.00 3kgl n ASP 314 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kgl s LEU 315 N -5.34 1.05 0.53 0.64 1.43 -0.80 -4.98 118.68 111.23 3kgl s LEU 315 Ca -0.11 -1.57 0.32 0.00 -1.03 0.00 0.00 54.13 51.74 3kgl s LEU 315 Cb 0.05 -0.49 1.48 0.00 0.03 0.00 0.00 46.19 47.26 3kgl s LEU 315 CO 0.66 -0.41 1.86 -0.65 0.23 0.00 0.00 176.35 178.04 3kgl h PRO 316 N 8.03 0.03 0.00 1.29 0.11 -1.74 0.41 132.00 140.13 3kgl h PRO 316 Ca -0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kgl h PRO 316 Cb 1.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3kgl h PRO 316 CO 0.42 0.02 0.02 1.51 -0.21 0.00 0.00 178.00 179.75 3kgl n ILE 317 N -4.26 1.31 0.12 4.15 0.13 -1.26 -1.96 119.36 117.59 3kgl n ILE 317 Ca 0.21 0.66 0.01 0.00 -1.10 0.00 0.00 62.75 62.53 3kgl n ILE 317 Cb 1.04 -1.66 -0.01 0.00 -0.84 0.00 0.00 39.64 38.17 3kgl n ILE 317 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3kgl h LEU 318 N 0.00 0.00 -1.73 9.51 3.38 -1.21 -3.14 115.31 122.11 3kgl h LEU 318 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 3kgl h LEU 318 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3kgl h LEU 318 CO 0.00 0.58 0.55 -0.09 0.09 0.00 0.00 178.44 179.57 3kgl h ARG 319 N 0.00 0.23 0.07 1.13 2.43 -1.59 -1.34 114.38 115.31 3kgl h ARG 319 Ca -0.02 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.80 3kgl h ARG 319 Cb 1.46 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.93 3kgl h ARG 319 CO 0.07 0.15 -1.88 1.19 -1.51 0.00 0.00 179.97 177.99 3kgl n PHE 320 N -4.42 1.12 0.34 2.20 3.72 -1.20 -3.72 117.46 115.50 3kgl n PHE 320 Ca 0.16 0.30 0.13 0.00 -0.05 0.00 0.00 57.45 58.00 3kgl n PHE 320 Cb 0.71 -1.17 0.56 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.04 0.00 2.41 4.37 4.07 -1.37 -3.46 115.31 121.37 3kgl h LEU 321 Ca -0.37 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.39 3kgl h LEU 321 Cb 2.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.76 3kgl h LEU 321 CO 0.08 0.00 -0.27 0.54 -1.08 0.00 0.00 178.44 177.71 3kgl n ARG 322 N -2.40 -2.40 -4.44 1.13 1.74 -0.56 -4.94 116.66 104.79 3kgl n ARG 322 Ca 0.01 0.49 -0.23 0.00 -0.77 0.00 0.00 57.85 57.35 3kgl n ARG 322 Cb 0.21 -5.07 -0.10 0.00 -1.02 0.00 0.00 32.46 26.47 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 -5.54 2.57 0.14 0.55 1.43 -1.24 -1.62 118.68 114.97 3kgl s LEU 323 Ca 0.01 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.01 3kgl s LEU 323 Cb -0.01 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.20 3kgl s LEU 323 CO 0.02 0.00 0.25 -0.55 0.23 0.00 0.00 176.35 176.30 3kgl s SER 324 N -3.38 0.06 -0.03 2.29 0.15 -0.33 -3.73 113.70 108.73 3kgl s SER 324 Ca 0.27 -0.77 -0.08 0.00 0.70 0.00 0.00 55.95 56.07 3kgl s SER 324 Cb -0.04 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 3kgl s SER 324 CO 0.13 -0.83 0.19 0.00 1.20 0.00 0.00 173.24 173.92 3kgl s ALA 325 N -3.92 -0.46 -0.01 5.45 0.00 -1.20 -2.01 121.76 119.61 3kgl s ALA 325 Ca 0.12 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.31 3kgl s ALA 325 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3kgl s ALA 325 CO -0.04 -0.18 -0.12 -1.17 0.00 0.00 0.00 175.76 174.25 3kgl s LEU 326 N -0.84 2.03 0.00 0.00 0.20 0.23 0.38 118.68 120.69 3kgl s LEU 326 Ca -0.09 -0.24 0.07 0.00 0.69 0.00 0.00 54.13 54.56 3kgl s LEU 326 Cb -0.05 -0.63 -0.03 0.00 -0.43 0.00 0.00 46.19 45.05 3kgl s LEU 326 CO 0.01 0.14 -0.21 -0.60 -0.29 0.00 0.00 176.35 175.41 3kgl s ARG 327 N -0.34 2.14 -0.04 1.98 6.06 0.19 -0.30 118.95 128.64 3kgl s ARG 327 Ca 0.04 -0.92 -0.01 0.00 -2.50 0.00 0.00 55.73 52.34 3kgl s ARG 327 Cb -0.05 -2.16 0.03 0.00 0.06 0.00 0.00 34.95 32.83 3kgl s ARG 327 CO -0.00 0.56 0.06 0.20 -2.50 0.00 0.00 175.30 173.62 3kgl s GLY 328 N -1.03 0.11 -0.26 8.12 0.00 -0.82 0.38 107.32 113.82 3kgl s GLY 328 Ca 0.12 0.35 0.02 0.00 0.00 0.00 0.00 44.72 45.21 3kgl s GLY 328 CO 0.02 1.00 -0.04 -0.45 0.00 0.00 0.00 173.10 173.62 3kgl s SER 329 N 1.47 4.12 0.40 1.64 0.15 -0.34 -0.99 113.70 120.15 3kgl s SER 329 Ca -0.04 -1.38 0.07 0.00 0.70 0.00 0.00 55.95 55.29 3kgl s SER 329 Cb -0.12 -1.30 -0.08 0.00 -1.71 0.00 0.00 66.02 62.81 3kgl s SER 329 CO -0.04 -0.26 0.02 0.27 1.20 0.00 0.00 173.24 174.43 3kgl s ILE 330 N 1.28 1.90 0.09 6.45 -4.36 -0.15 -0.87 121.20 125.54 3kgl s ILE 330 Ca -0.03 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.41 3kgl s ILE 330 Cb -0.19 -2.96 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 3kgl s ILE 330 CO -0.07 0.00 -0.02 -0.13 0.24 0.00 0.00 174.94 174.96 3kgl s ARG 331 N -3.73 2.49 -0.17 0.37 0.52 0.32 -1.29 118.95 117.46 3kgl s ARG 331 Ca 0.35 -0.86 -0.33 0.00 -0.52 0.00 0.00 55.73 54.37 3kgl s ARG 331 Cb 0.10 -2.51 -0.15 0.00 0.52 0.00 0.00 34.95 32.91 3kgl s ARG 331 CO 0.17 0.54 0.99 0.94 0.02 0.00 0.00 175.30 177.97 3kgl n GLN 332 N 0.61 0.00 -0.97 3.54 7.27 0.42 -0.38 117.38 127.86 3kgl n GLN 332 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.96 3kgl n GLN 332 Cb 0.52 -1.15 0.00 0.00 2.41 0.00 0.00 30.24 32.02 3kgl n GLN 332 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3kgl n ASN 333 N 1.98 -2.38 -4.78 1.69 3.02 -0.61 -4.97 115.26 109.21 3kgl n ASN 333 Ca 0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.37 3kgl n ASN 333 Cb 0.01 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.37 3.21 -0.07 5.41 0.00 0.49 -2.59 121.76 125.84 3kgl s ALA 334 Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.60 3kgl s ALA 334 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3kgl s ALA 334 CO 0.00 0.08 -0.20 1.41 0.00 0.00 0.00 175.76 177.05 3kgl s MET 335 N -2.02 2.71 -0.26 0.00 1.75 -0.11 -1.86 119.30 119.52 3kgl s MET 335 Ca 0.50 -0.81 -0.19 0.00 -1.25 0.00 0.00 55.69 53.95 3kgl s MET 335 Cb -0.21 -2.31 -0.02 0.00 2.84 0.00 0.00 34.83 35.12 3kgl s MET 335 CO 0.26 0.41 0.55 0.08 -0.65 0.00 0.00 175.02 175.68 3kgl s VAL 336 N -0.21 5.04 0.59 10.11 1.01 0.19 -1.57 120.40 135.55 3kgl s VAL 336 Ca -0.01 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 62.74 3kgl s VAL 336 Cb -0.13 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3kgl s VAL 336 CO 0.03 0.07 1.32 -0.76 0.00 0.00 0.00 175.10 175.76 3kgl s LEU 337 N 2.37 3.74 0.15 3.92 1.43 0.01 -3.09 118.68 127.21 3kgl s LEU 337 Ca 0.23 2.69 -0.33 0.00 -1.03 0.00 0.00 54.13 55.69 3kgl s LEU 337 Cb -0.16 -4.42 -0.13 0.00 0.03 0.00 0.00 46.19 41.52 3kgl s LEU 337 CO 0.09 -1.73 1.68 -2.65 0.23 0.00 0.00 176.35 173.97 3kgl n PRO 338 N -1.38 2.41 -4.00 1.29 -0.02 -1.25 -4.80 135.00 127.24 3kgl n PRO 338 Ca 0.13 0.87 -0.10 0.00 -2.02 0.00 0.00 63.50 62.38 3kgl n PRO 338 Cb 0.46 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 31.19 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 1.51 1.19 0.02 -0.52 -2.07 -0.07 -0.31 119.66 119.40 3kgl s GLN 339 Ca 0.79 -1.25 -0.01 0.00 -1.82 0.00 0.00 55.36 53.08 3kgl s GLN 339 Cb -0.61 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 31.66 3kgl s GLN 339 CO 0.37 -0.43 -0.02 1.67 -1.32 0.00 0.00 175.29 175.57 3kgl s TRP 340 N -4.00 0.27 -0.34 9.60 -2.14 -0.51 0.04 118.94 121.85 3kgl s TRP 340 Ca 0.20 -0.55 -0.24 0.00 2.66 0.00 0.00 56.10 58.18 3kgl s TRP 340 Cb 0.04 -0.20 0.01 0.00 -3.10 0.00 0.00 33.47 30.22 3kgl s TRP 340 CO 0.02 -0.21 0.83 -0.80 -2.66 0.00 0.00 176.95 174.13 3kgl s ASN 341 N -1.58 6.63 0.14 -2.66 0.01 -1.26 -1.78 114.94 114.45 3kgl s ASN 341 Ca -0.14 0.54 -0.15 0.00 -0.71 0.00 0.00 52.86 52.40 3kgl s ASN 341 Cb -0.08 -2.42 0.01 0.00 0.41 0.00 0.00 41.25 39.16 3kgl s ASN 341 CO -0.02 -0.73 1.69 0.00 -1.51 0.00 0.00 177.10 176.53 3kgl h ALA 342 N 8.34 0.56 0.00 0.60 0.00 -1.17 -2.15 119.26 125.44 3kgl h ALA 342 Ca -0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3kgl h ALA 342 Cb 1.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3kgl h ALA 342 CO 0.92 0.17 -0.35 0.27 0.00 0.00 0.00 179.25 180.26 3kgl n ASN 343 N -4.62 1.65 -3.69 0.00 6.94 -1.26 -4.62 115.26 109.67 3kgl n ASN 343 Ca 0.00 -3.07 -0.14 0.00 -0.02 0.00 0.00 54.58 51.34 3kgl n ASN 343 Cb 0.15 -0.41 -0.08 0.00 -2.36 0.00 0.00 39.78 37.07 3kgl n ASN 343 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kgl s ALA 344 N -2.25 -1.16 0.07 -2.53 0.00 -1.26 -4.68 121.76 109.96 3kgl s ALA 344 Ca 0.30 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 3kgl s ALA 344 Cb 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 3kgl s ALA 344 CO -0.03 -0.27 1.06 -0.80 0.00 0.00 0.00 175.76 175.72 3kgl s ASN 345 N -0.72 7.29 0.24 0.00 0.01 -1.26 -3.32 114.94 117.19 3kgl s ASN 345 Ca -0.08 1.87 0.05 0.00 -0.71 0.00 0.00 52.86 53.99 3kgl s ASN 345 Cb -0.03 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 3kgl s ASN 345 CO 0.04 -0.27 0.33 0.00 -1.51 0.00 0.00 177.10 175.68 3kgl s ALA 346 N 0.60 3.86 -0.09 0.60 0.00 0.10 -1.37 121.76 125.45 3kgl s ALA 346 Ca 0.52 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3kgl s ALA 346 Cb -0.25 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.28 3kgl s ALA 346 CO 0.30 0.24 0.16 0.54 0.00 0.00 0.00 175.76 177.00 3kgl s VAL 347 N -2.02 -0.26 -0.24 0.00 0.11 -0.23 -1.20 120.40 116.56 3kgl s VAL 347 Ca 0.34 0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 59.65 3kgl s VAL 347 Cb -0.09 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 3kgl s VAL 347 CO 0.28 0.12 0.03 -0.22 -3.33 0.00 0.00 175.10 171.98 3kgl s LEU 348 N 2.29 3.24 -0.21 2.54 0.20 0.63 -0.98 118.68 126.39 3kgl s LEU 348 Ca 0.03 -0.30 -0.03 0.00 0.69 0.00 0.00 54.13 54.53 3kgl s LEU 348 Cb -0.12 -1.85 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 3kgl s LEU 348 CO -0.06 -0.03 -0.07 -0.47 -0.29 0.00 0.00 176.35 175.43 3kgl s TYR 349 N 1.56 2.93 -0.11 5.38 5.04 0.13 -1.68 117.35 130.60 3kgl s TYR 349 Ca 0.06 -1.00 -0.28 0.00 -2.44 0.00 0.00 57.07 53.41 3kgl s TYR 349 Cb -0.15 -2.07 -0.02 0.00 0.35 0.00 0.00 41.96 40.08 3kgl s TYR 349 CO 0.01 -0.56 0.93 0.08 -1.34 0.00 0.00 175.55 174.67 3kgl s VAL 350 N 1.38 4.84 -0.14 3.14 1.01 -1.04 -0.43 120.40 129.16 3kgl s VAL 350 Ca 0.05 1.89 -0.11 0.00 0.00 0.00 0.00 61.98 63.81 3kgl s VAL 350 Cb -0.14 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 3kgl s VAL 350 CO -0.04 0.05 -0.21 0.41 0.00 0.00 0.00 175.10 175.31 3kgl n THR 351 N 4.46 1.33 -4.47 3.92 -1.04 0.29 -1.74 114.28 117.03 3kgl n THR 351 Ca 0.06 0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 62.08 3kgl n THR 351 Cb 0.49 -2.32 -0.16 0.00 -1.82 0.00 0.00 70.33 66.53 3kgl n THR 351 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3kgl s ASP 352 N -5.62 1.40 0.00 8.00 1.01 0.25 -4.68 116.67 117.03 3kgl s ASP 352 Ca -0.17 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 52.87 3kgl s ASP 352 Cb 0.02 -0.42 0.00 0.00 1.01 0.00 0.00 42.92 43.54 3kgl s ASP 352 CO 0.26 0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.32 3kgl n GLY 353 N 3.36 -1.84 3.16 0.21 0.00 -1.25 0.12 105.19 108.94 3kgl n GLY 353 Ca -0.19 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 3kgl n GLY 353 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgl s GLU 354 N 0.00 0.50 0.13 1.61 -1.05 -1.26 -2.76 118.70 115.87 3kgl s GLU 354 Ca 0.00 -0.15 0.01 0.00 -0.15 0.00 0.00 54.97 54.68 3kgl s GLU 354 Cb 0.00 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 3kgl s GLU 354 CO 0.00 -0.12 -0.02 0.00 0.95 0.00 0.00 175.26 176.07 3kgl s ALA 355 N -1.00 1.09 -0.24 -0.84 0.00 -1.19 -0.18 121.76 119.40 3kgl s ALA 355 Ca -0.11 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 3kgl s ALA 355 Cb -0.05 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 3kgl s ALA 355 CO 0.02 -0.31 0.12 -1.58 0.00 0.00 0.00 175.76 174.01 3kgl s HIS 356 N -3.70 3.21 0.09 0.00 2.46 0.37 -1.94 115.29 115.78 3kgl s HIS 356 Ca 0.18 -0.02 0.07 0.00 0.47 0.00 0.00 55.06 55.76 3kgl s HIS 356 Cb 0.06 -2.24 -0.03 0.00 -0.13 0.00 0.00 32.58 30.23 3kgl s HIS 356 CO -0.01 -0.09 -0.18 0.54 -2.47 0.00 0.00 174.74 172.53 3kgl s VAL 357 N 1.23 1.48 0.01 0.89 0.11 -0.35 -0.76 120.40 123.01 3kgl s VAL 357 Ca 0.06 -1.47 0.08 0.00 -2.93 0.00 0.00 61.98 57.71 3kgl s VAL 357 Cb -0.14 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.30 3kgl s VAL 357 CO 0.05 -0.14 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.35 3kgl s GLN 358 N -1.89 1.75 -0.02 1.54 -0.21 -0.48 -1.92 119.66 118.44 3kgl s GLN 358 Ca 0.04 -0.90 0.04 0.00 0.02 0.00 0.00 55.36 54.55 3kgl s GLN 358 Cb -0.10 -1.78 -0.01 0.00 1.00 0.00 0.00 33.01 32.13 3kgl s GLN 358 CO 0.04 0.48 -0.14 0.08 -2.12 0.00 0.00 175.29 173.62 3kgl s VAL 359 N -0.64 1.11 -0.08 1.09 1.01 0.16 -2.02 120.40 121.03 3kgl s VAL 359 Ca 0.09 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3kgl s VAL 359 Cb -0.09 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3kgl s VAL 359 CO 0.00 0.32 -0.18 -0.69 0.00 0.00 0.00 175.10 174.55 3kgl s VAL 360 N -0.13 1.61 0.00 2.92 1.01 -0.69 -0.44 120.40 124.68 3kgl s VAL 360 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3kgl s VAL 360 Cb -0.07 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.89 3kgl s VAL 360 CO 0.00 0.46 0.00 -0.46 0.00 0.00 0.00 175.10 175.10 3kgl n ASN 361 N 3.59 0.00 0.23 3.32 2.04 -0.45 -2.22 115.26 121.77 3kgl n ASN 361 Ca -0.21 -0.98 0.10 0.00 -0.44 0.00 0.00 54.58 53.06 3kgl n ASN 361 Cb 0.52 0.00 0.54 0.00 -2.53 0.00 0.00 39.78 38.31 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 -0.03 0.53 2.03 -1.89 -2.32 116.42 114.73 3kgl h ASP 362 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 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 0.21 0.00 -3.20 -1.03 0.00 0.00 179.24 175.22 3kgl n ASN 363 N -3.50 0.88 -0.04 4.15 5.15 -1.26 -4.89 115.26 115.75 3kgl n ASN 363 Ca -0.01 -1.37 -0.01 0.00 -0.60 0.00 0.00 54.58 52.60 3kgl n ASN 363 Cb 0.37 -0.02 -0.00 0.00 -0.53 0.00 0.00 39.78 39.60 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 1.06 0.44 3.85 8.20 0.00 -0.87 -5.02 105.19 112.86 3kgl n GLY 364 Ca 0.19 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.12 6.67 -0.57 1.61 1.01 -1.26 -4.82 116.67 117.19 3kgl s ASP 365 Ca 0.00 1.35 -0.21 0.00 0.71 0.00 0.00 52.55 54.40 3kgl s ASP 365 Cb 0.00 -2.41 0.07 0.00 1.01 0.00 0.00 42.92 41.59 3kgl s ASP 365 CO 0.00 -0.38 0.79 -0.60 0.21 0.00 0.00 175.17 175.19 3kgl s ARG 366 N -3.57 3.15 0.31 8.23 3.52 -1.26 -1.34 118.95 127.99 3kgl s ARG 366 Ca 0.55 -0.83 0.23 0.00 -0.13 0.00 0.00 55.73 55.56 3kgl s ARG 366 Cb -0.10 -4.15 0.22 0.00 -1.56 0.00 0.00 34.95 29.36 3kgl s ARG 366 CO 0.25 -1.49 1.37 -0.39 -0.81 0.00 0.00 175.30 174.23 3kgl h VAL 367 N 5.94 0.00 -2.85 7.11 -1.51 -0.99 -3.46 116.25 120.49 3kgl h VAL 367 Ca -0.28 -0.94 -0.14 0.00 -1.23 0.00 0.00 66.70 64.11 3kgl h VAL 367 Cb 1.08 1.71 -0.25 0.00 -2.13 0.00 0.00 31.29 31.71 3kgl h VAL 367 CO 1.07 0.00 -0.30 0.12 -1.23 0.00 0.00 177.57 177.23 3kgl s PHE 368 N -3.27 -0.41 -0.29 5.19 5.36 -1.17 0.43 117.98 123.82 3kgl s PHE 368 Ca 0.04 0.98 0.04 0.00 -0.96 0.00 0.00 56.93 57.03 3kgl s PHE 368 Cb 0.08 0.14 0.18 0.00 -0.34 0.00 0.00 43.02 43.08 3kgl s PHE 368 CO 0.72 -0.20 0.51 0.34 -1.46 0.00 0.00 175.22 175.13 3kgl s ASP 369 N 0.30 -0.75 0.00 6.13 3.68 -1.25 0.38 116.67 125.16 3kgl s ASP 369 Ca -0.01 -0.00 0.00 0.00 2.13 0.00 0.00 52.55 54.67 3kgl s ASP 369 Cb -0.03 1.64 0.00 0.00 -1.45 0.00 0.00 42.92 43.08 3kgl s ASP 369 CO -0.01 -0.32 0.00 0.61 0.13 0.00 0.00 175.17 175.58 3kgl n GLY 370 N 5.39 -1.28 3.80 2.66 0.00 -0.81 -5.00 105.19 109.95 3kgl n GLY 370 Ca 0.03 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3kgl n GLY 370 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgl s GLN 371 N -1.02 4.43 -0.21 1.61 -1.52 -1.26 -1.21 119.66 120.47 3kgl s GLN 371 Ca 0.00 1.17 0.01 0.00 -1.95 0.00 0.00 55.36 54.60 3kgl s GLN 371 Cb 0.00 -2.68 0.04 0.00 -0.22 0.00 0.00 33.01 30.16 3kgl s GLN 371 CO 0.00 0.23 -0.11 0.54 -0.25 0.00 0.00 175.29 175.71 3kgl s VAL 372 N -1.73 1.76 0.26 1.09 0.11 -0.82 -4.91 120.40 116.16 3kgl s VAL 372 Ca 0.51 -1.13 0.10 0.00 -2.93 0.00 0.00 61.98 58.54 3kgl s VAL 372 Cb -0.16 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 3kgl s VAL 372 CO 0.21 0.14 -0.06 -0.94 -3.33 0.00 0.00 175.10 171.12 3kgl s SER 373 N 1.34 4.28 0.12 3.54 1.04 -1.26 -3.18 113.70 119.57 3kgl s SER 373 Ca -0.02 -0.72 -0.33 0.00 0.48 0.00 0.00 55.95 55.36 3kgl s SER 373 Cb -0.17 -0.70 -0.18 0.00 0.10 0.00 0.00 66.02 65.07 3kgl s SER 373 CO -0.08 0.03 0.74 1.67 0.98 0.00 0.00 173.24 176.57 3kgl n GLN 374 N -0.68 0.00 -0.14 4.02 7.27 -1.11 -1.90 117.38 124.84 3kgl n GLN 374 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 3kgl n GLN 374 Cb 0.59 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 32.04 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 1.79 1.12 3.95 1.69 0.00 -0.71 -5.02 105.19 108.02 3kgl n GLY 375 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3kgl n GLY 375 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgl s GLN 376 N -0.56 3.16 -0.04 1.61 -0.21 -0.80 -4.81 119.66 118.02 3kgl s GLN 376 Ca 0.00 -0.49 -0.01 0.00 0.02 0.00 0.00 55.36 54.87 3kgl s GLN 376 Cb 0.00 -2.60 0.03 0.00 1.00 0.00 0.00 33.01 31.44 3kgl s GLN 376 CO 0.00 -0.16 0.07 -1.17 -2.12 0.00 0.00 175.29 171.91 3kgl s LEU 377 N -4.48 0.58 -0.10 2.90 2.96 -0.68 -2.48 118.68 117.38 3kgl s LEU 377 Ca 0.46 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 3kgl s LEU 377 Cb -0.10 -0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.59 3kgl s LEU 377 CO 0.37 -0.19 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.80 3kgl s LEU 378 N 1.61 1.92 -0.09 -0.68 2.96 -0.68 -0.37 118.68 123.35 3kgl s LEU 378 Ca -0.03 -0.48 -0.22 0.00 -0.22 0.00 0.00 54.13 53.18 3kgl s LEU 378 Cb -0.12 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3kgl s LEU 378 CO -0.04 0.09 0.66 -0.55 -1.32 0.00 0.00 176.35 175.19 3kgl s SER 379 N 0.61 6.92 -0.52 3.68 0.15 -1.26 -0.27 113.70 123.00 3kgl s SER 379 Ca -0.14 1.10 0.03 0.00 0.70 0.00 0.00 55.95 57.65 3kgl s SER 379 Cb -0.17 -2.39 0.14 0.00 -1.71 0.00 0.00 66.02 61.90 3kgl s SER 379 CO 0.04 -0.11 0.31 -0.63 1.20 0.00 0.00 173.24 174.05 3kgl s ILE 380 N 0.87 2.04 0.69 6.45 1.01 -0.34 -4.97 121.20 126.94 3kgl s ILE 380 Ca 0.35 -3.19 -0.14 0.00 0.00 0.00 0.00 60.65 57.67 3kgl s ILE 380 Cb -0.17 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.92 3kgl s ILE 380 CO 0.16 -0.91 1.11 -2.84 0.00 0.00 0.00 174.94 172.46 3kgl s PRO 381 N -0.27 2.60 0.04 2.79 0.02 -1.26 0.00 135.00 138.92 3kgl s PRO 381 Ca 0.20 1.36 -0.36 0.00 0.02 0.00 0.00 61.00 62.22 3kgl s PRO 381 Cb -0.19 -1.93 -0.19 0.00 0.02 0.00 0.00 34.50 32.22 3kgl s PRO 381 CO -0.05 -1.40 0.92 0.94 -0.33 0.00 0.00 177.00 177.08 3kgl n GLN 382 N -2.73 0.00 0.00 5.54 7.27 -1.21 -1.42 117.38 124.82 3kgl n GLN 382 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 3kgl n GLN 382 Cb 0.52 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.83 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 1.55 3.03 3.77 1.69 0.00 -0.81 -4.99 105.19 109.43 3kgl n GLY 383 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3kgl n GLY 383 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kgl s PHE 384 N -1.64 3.14 -0.17 1.61 0.40 -0.51 -4.83 117.98 115.99 3kgl s PHE 384 Ca 0.00 1.51 -0.07 0.00 -0.60 0.00 0.00 56.93 57.77 3kgl s PHE 384 Cb 0.00 -3.52 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 3kgl s PHE 384 CO 0.00 -1.46 0.07 -1.12 0.70 0.00 0.00 175.22 173.41 3kgl s SER 385 N -0.77 5.70 0.21 1.36 0.01 -0.94 -4.03 113.70 115.24 3kgl s SER 385 Ca 0.51 0.14 0.11 0.00 1.31 0.00 0.00 55.95 58.01 3kgl s SER 385 Cb -0.35 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3kgl s SER 385 CO 0.46 0.22 -0.18 -0.69 0.41 0.00 0.00 173.24 173.46 3kgl s VAL 386 N 0.10 2.66 -0.05 3.43 1.01 0.11 -1.70 120.40 125.95 3kgl s VAL 386 Ca 0.05 -2.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 3kgl s VAL 386 Cb -0.12 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3kgl s VAL 386 CO 0.01 -0.19 0.10 0.54 0.00 0.00 0.00 175.10 175.55 3kgl s VAL 387 N -1.89 -0.05 -0.05 2.92 0.11 -0.86 -0.89 120.40 119.69 3kgl s VAL 387 Ca 0.24 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 3kgl s VAL 387 Cb -0.07 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.61 3kgl s VAL 387 CO 0.13 0.07 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.29 3kgl s LYS 388 N 1.01 1.63 -0.15 1.54 1.02 -1.18 -1.38 119.74 122.22 3kgl s LYS 388 Ca -0.08 -0.46 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 3kgl s LYS 388 Cb -0.11 -1.38 0.04 0.00 -0.52 0.00 0.00 37.83 35.86 3kgl s LYS 388 CO -0.04 0.11 -0.02 0.50 -0.92 0.00 0.00 175.35 174.98 3kgl s ARG 389 N 0.39 1.03 0.43 1.68 3.52 0.06 -0.64 118.95 125.42 3kgl s ARG 389 Ca -0.09 -0.33 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 3kgl s ARG 389 Cb -0.13 -1.77 -0.10 0.00 -1.56 0.00 0.00 34.95 31.39 3kgl s ARG 389 CO 0.03 -0.45 1.15 0.00 -0.81 0.00 0.00 175.30 175.22 3kgl n ALA 390 N 4.99 0.77 -0.02 6.12 0.00 -0.78 -0.48 120.51 131.12 3kgl n ALA 390 Ca -0.10 0.24 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 3kgl n ALA 390 Cb 0.48 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 3kgl n ALA 390 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kgl n THR 391 N -0.41 0.24 -2.01 0.00 -1.04 0.74 -1.58 114.28 110.23 3kgl n THR 391 Ca 0.08 -0.09 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 3kgl n THR 391 Cb 0.40 -0.79 0.13 0.00 -1.82 0.00 0.00 70.33 68.24 3kgl n THR 391 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kgl s SER 392 N -4.56 3.98 0.09 8.00 1.04 -0.88 -4.80 113.70 116.57 3kgl s SER 392 Ca -0.06 0.44 -0.35 0.00 0.48 0.00 0.00 55.95 56.47 3kgl s SER 392 Cb 0.02 -0.77 -0.16 0.00 0.10 0.00 0.00 66.02 65.20 3kgl s SER 392 CO 0.09 -2.19 1.54 -0.08 0.98 0.00 0.00 173.24 173.59 3kgl h GLU 393 N -1.18 -0.90 -5.42 4.02 4.81 -1.96 -3.10 114.58 110.84 3kgl h GLU 393 Ca -0.44 0.06 -0.41 0.00 -0.13 0.00 0.00 59.36 58.43 3kgl h GLU 393 Cb 1.28 0.20 -0.16 0.00 0.63 0.00 0.00 28.75 30.71 3kgl h GLU 393 CO 0.52 -0.60 -0.74 1.14 -0.73 0.00 0.00 179.01 178.60 3kgl s GLN 394 N -5.75 1.18 -0.07 1.92 -2.07 -1.26 0.16 119.66 113.77 3kgl s GLN 394 Ca -0.17 -1.45 -0.01 0.00 -1.82 0.00 0.00 55.36 51.91 3kgl s GLN 394 Cb 0.05 -0.95 0.03 0.00 -1.09 0.00 0.00 33.01 31.04 3kgl s GLN 394 CO 0.59 0.16 -0.01 0.12 -1.32 0.00 0.00 175.29 174.82 3kgl s PHE 395 N -2.79 0.73 -0.09 9.60 5.36 -0.41 -3.97 117.98 126.41 3kgl s PHE 395 Ca 0.17 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 3kgl s PHE 395 Cb -0.01 -0.79 0.02 0.00 -0.34 0.00 0.00 43.02 41.90 3kgl s PHE 395 CO 0.04 -0.31 -0.07 1.03 -1.46 0.00 0.00 175.22 174.46 3kgl s ARG 396 N 1.70 1.31 0.30 10.12 0.52 0.33 -0.98 118.95 132.25 3kgl s ARG 396 Ca 0.01 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 3kgl s ARG 396 Cb -0.13 -1.35 -0.06 0.00 0.52 0.00 0.00 34.95 33.94 3kgl s ARG 396 CO -0.04 -0.20 0.08 1.67 0.02 0.00 0.00 175.30 176.83 3kgl s TRP 397 N 1.47 1.78 -0.02 -0.53 -2.14 -0.16 0.10 118.94 119.44 3kgl s TRP 397 Ca -0.01 -1.08 0.00 0.00 2.66 0.00 0.00 56.10 57.68 3kgl s TRP 397 Cb -0.13 -1.11 0.02 0.00 -3.10 0.00 0.00 33.47 29.15 3kgl s TRP 397 CO -0.05 -0.16 0.00 -1.50 -2.66 0.00 0.00 176.95 172.59 3kgl s ILE 398 N -3.49 0.12 -0.13 0.66 -1.16 0.42 -1.95 121.20 115.68 3kgl s ILE 398 Ca 0.36 0.09 -0.04 0.00 -0.51 0.00 0.00 60.65 60.56 3kgl s ILE 398 Cb 0.08 -0.21 -0.03 0.00 0.61 0.00 0.00 42.46 42.90 3kgl s ILE 398 CO 0.15 0.12 0.00 -1.61 -2.81 0.00 0.00 174.94 170.79 3kgl s GLU 399 N 0.89 3.43 -0.18 3.50 2.02 0.59 0.22 118.70 129.16 3kgl s GLU 399 Ca -0.09 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 3kgl s GLU 399 Cb -0.12 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 3kgl s GLU 399 CO -0.02 0.46 0.05 -0.06 0.02 0.00 0.00 175.26 175.71 3kgl s PHE 400 N -0.22 3.21 -0.03 1.61 0.08 -0.16 -0.60 117.98 121.88 3kgl s PHE 400 Ca 0.05 -0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.16 3kgl s PHE 400 Cb -0.12 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 3kgl s PHE 400 CO 0.02 0.09 -0.23 0.15 -0.10 0.00 0.00 175.22 175.15 3kgl s LYS 401 N 0.45 1.97 -1.48 0.44 1.02 -0.85 -1.06 119.74 120.22 3kgl s LYS 401 Ca 0.02 -0.82 -0.08 0.00 0.02 0.00 0.00 55.97 55.11 3kgl s LYS 401 Cb -0.13 -1.84 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 3kgl s LYS 401 CO 0.01 0.46 2.65 0.25 -0.92 0.00 0.00 175.35 177.80 3kgl n THR 402 N 2.63 4.70 -3.57 2.17 -2.24 -0.47 -1.19 114.28 116.31 3kgl n THR 402 Ca -0.16 -3.42 -0.01 0.00 -2.27 0.00 0.00 64.05 58.19 3kgl n THR 402 Cb 0.52 -2.37 -0.06 0.00 -2.10 0.00 0.00 70.33 66.32 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 1.37 -0.58 0.23 3.42 3.84 -0.64 -4.56 114.94 118.03 3kgl s ASN 403 Ca 0.61 0.87 0.15 0.00 0.21 0.00 0.00 52.86 54.71 3kgl s ASN 403 Cb 0.18 1.41 0.81 0.00 -0.55 0.00 0.00 41.25 43.10 3kgl s ASN 403 CO -0.07 -0.13 1.44 0.00 -2.79 0.00 0.00 177.10 175.54 3kgl n ALA 404 N 4.22 0.98 -3.11 1.71 0.00 -1.19 -2.82 120.51 120.30 3kgl n ALA 404 Ca -0.15 0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 3kgl n ALA 404 Cb 0.56 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 3kgl n ALA 404 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kgl n ASN 405 N -2.02 -1.19 -4.74 0.00 2.85 -1.26 -1.02 115.26 107.87 3kgl n ASN 405 Ca -0.01 -2.72 -0.41 0.00 -0.11 0.00 0.00 54.58 51.33 3kgl n ASN 405 Cb 0.06 0.21 -0.02 0.00 1.24 0.00 0.00 39.78 41.26 3kgl n ASN 405 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kgl s ALA 406 N -0.09 3.61 -0.13 5.20 0.00 -1.13 -4.99 121.76 124.24 3kgl s ALA 406 Ca 0.33 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 3kgl s ALA 406 Cb 0.10 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3kgl s ALA 406 CO -0.15 -0.70 0.04 -0.65 0.00 0.00 0.00 175.76 174.30 3kgl s GLN 407 N -0.29 3.44 0.00 0.00 1.11 -1.26 -5.04 119.66 117.63 3kgl s GLN 407 Ca 0.59 -0.35 -0.00 0.00 0.01 0.00 0.00 55.36 55.60 3kgl s GLN 407 Cb -0.41 -3.00 -0.04 0.00 -1.01 0.00 0.00 33.01 28.55 3kgl s GLN 407 CO 0.42 0.54 0.09 0.42 0.01 0.00 0.00 175.29 176.77 3kgl s ILE 408 N -0.39 4.79 -0.07 1.08 1.01 -1.26 -0.56 121.20 125.80 3kgl s ILE 408 Ca 0.09 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.34 3kgl s ILE 408 Cb -0.12 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.15 3kgl s ILE 408 CO 0.02 0.32 -0.13 0.20 0.00 0.00 0.00 174.94 175.35 3kgl s ASN 409 N -1.83 1.92 0.25 3.58 -0.87 -0.73 -4.89 114.94 112.36 3kgl s ASN 409 Ca 0.24 -0.33 -0.06 0.00 -1.57 0.00 0.00 52.86 51.14 3kgl s ASN 409 Cb -0.12 -0.88 -0.06 0.00 -0.02 0.00 0.00 41.25 40.17 3kgl s ASN 409 CO 0.15 0.04 0.52 0.42 -2.57 0.00 0.00 177.10 175.66 3kgl s THR 410 N 0.70 5.02 -0.25 1.60 -4.23 -1.26 -1.42 115.64 115.79 3kgl s THR 410 Ca -0.14 0.17 0.22 0.00 -1.18 0.00 0.00 61.69 60.76 3kgl s THR 410 Cb -0.16 -3.68 -0.14 0.00 1.34 0.00 0.00 72.50 69.86 3kgl s THR 410 CO 0.03 -0.19 0.85 0.18 -0.54 0.00 0.00 174.62 174.95 3kgl n LEU 411 N -0.55 0.51 -4.31 4.79 4.77 0.57 -1.67 117.00 121.12 3kgl n LEU 411 Ca -0.01 0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 3kgl n LEU 411 Cb 0.53 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3kgl n LEU 411 CO 0.47 -0.07 -0.43 0.00 -1.33 0.00 0.00 177.39 176.03 3kgl s ALA 412 N -3.38 1.81 0.00 -1.18 0.00 -1.26 -4.44 121.76 113.31 3kgl s ALA 412 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3kgl s ALA 412 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3kgl s ALA 412 CO 0.83 0.03 0.00 0.41 0.00 0.00 0.00 175.76 177.03 3kgl n GLY 413 N -0.24 -1.80 0.15 0.00 0.00 -1.26 -4.32 105.19 97.72 3kgl n GLY 413 Ca -0.09 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 43.97 3kgl n GLY 413 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kgl n ARG 414 N -0.01 1.20 -1.20 1.61 1.85 -1.02 -3.25 116.66 115.84 3kgl n ARG 414 Ca 0.00 -0.30 0.05 0.00 -1.00 0.00 0.00 57.85 56.60 3kgl n ARG 414 Cb 0.00 -1.40 0.08 0.00 -1.05 0.00 0.00 32.46 30.09 3kgl n ARG 414 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3kgl n THR 415 N -0.56 0.72 -2.25 8.89 -2.24 -1.26 -5.02 114.28 112.56 3kgl n THR 415 Ca 0.18 -1.73 -0.31 0.00 -2.27 0.00 0.00 64.05 59.92 3kgl n THR 415 Cb 0.16 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 3kgl n THR 415 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kgl s SER 416 N -2.40 6.44 0.22 3.42 1.04 -1.20 -4.29 113.70 116.93 3kgl s SER 416 Ca 0.35 1.44 -0.08 0.00 0.48 0.00 0.00 55.95 58.14 3kgl s SER 416 Cb 0.38 -2.46 0.27 0.00 0.10 0.00 0.00 66.02 64.31 3kgl s SER 416 CO -0.14 -0.68 1.83 1.62 0.98 0.00 0.00 173.24 176.86 3kgl h VAL 417 N 0.42 1.03 -0.42 5.02 3.04 -1.58 -2.56 116.25 121.20 3kgl h VAL 417 Ca -0.46 -0.29 0.04 0.00 -1.01 0.00 0.00 66.70 64.99 3kgl h VAL 417 Cb 1.19 0.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.54 3kgl h VAL 417 CO 0.62 0.15 0.18 -0.07 -1.01 0.00 0.00 177.57 177.44 3kgl h LEU 418 N 0.84 0.23 -1.73 3.16 4.07 -1.83 -1.67 115.31 118.38 3kgl h LEU 418 Ca 0.33 0.04 0.24 0.00 0.08 0.00 0.00 57.88 58.56 3kgl h LEU 418 Cb 0.14 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 3kgl h LEU 418 CO -0.16 0.17 0.63 -0.09 -1.08 0.00 0.00 178.44 177.90 3kgl h ARG 419 N 0.37 0.20 -0.01 1.13 9.65 -1.72 0.53 114.38 124.54 3kgl h ARG 419 Ca 0.19 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3kgl h ARG 419 Cb 0.14 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3kgl h ARG 419 CO -0.17 0.13 -0.09 0.41 2.80 0.00 0.00 179.97 183.06 3kgl n GLY 420 N -1.61 -0.63 3.87 2.80 0.00 -0.64 -4.86 105.19 104.13 3kgl n GLY 420 Ca 0.19 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.29 3.94 0.24 0.99 1.02 0.18 -5.06 118.68 117.70 3kgl s LEU 421 Ca 0.33 1.14 -0.30 0.00 0.02 0.00 0.00 54.13 55.33 3kgl s LEU 421 Cb 0.20 -3.99 -0.09 0.00 0.02 0.00 0.00 46.19 42.34 3kgl s LEU 421 CO 0.43 -0.30 1.08 -2.84 0.02 0.00 0.00 176.35 174.74 3kgl s PRO 422 N -3.48 4.65 0.33 1.29 0.02 -1.26 -4.93 135.00 131.62 3kgl s PRO 422 Ca 0.52 1.74 0.09 0.00 0.02 0.00 0.00 61.00 63.36 3kgl s PRO 422 Cb -0.10 -3.23 0.97 0.00 0.02 0.00 0.00 34.50 32.15 3kgl s PRO 422 CO 0.26 0.19 1.59 -0.07 -0.33 0.00 0.00 177.00 178.64 3kgl h LEU 423 N 4.36 -0.11 -1.26 -5.54 3.38 -1.96 -0.83 115.31 113.35 3kgl h LEU 423 Ca -0.46 0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3kgl h LEU 423 Cb 1.21 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 3kgl h LEU 423 CO 0.69 -0.35 -0.24 -0.33 0.09 0.00 0.00 178.44 178.31 3kgl h GLU 424 N 0.05 0.20 -0.53 1.13 3.07 -1.98 0.32 114.58 116.84 3kgl h GLU 424 Ca 0.68 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.39 3kgl h GLU 424 Cb 1.58 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.45 3kgl h GLU 424 CO -0.82 0.44 -0.04 0.28 -1.40 0.00 0.00 179.01 177.46 3kgl h VAL 425 N 0.19 1.26 -0.10 3.13 2.07 -1.54 -2.52 116.25 118.73 3kgl h VAL 425 Ca 0.03 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 3kgl h VAL 425 Cb 0.53 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3kgl h VAL 425 CO 0.04 0.40 -0.04 0.40 0.02 0.00 0.00 177.57 178.39 3kgl h ILE 426 N 0.85 1.31 -0.25 4.57 2.04 -0.85 0.11 117.51 125.30 3kgl h ILE 426 Ca 0.15 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3kgl h ILE 426 Cb 0.55 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3kgl h ILE 426 CO 0.03 0.29 0.13 0.77 0.00 0.00 0.00 178.15 179.37 3kgl h SER 427 N -0.14 0.32 0.49 1.72 4.64 -1.27 -1.79 113.55 117.52 3kgl h SER 427 Ca 0.02 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 3kgl h SER 427 Cb 0.48 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3kgl h SER 427 CO 0.01 0.33 -0.46 0.78 -0.87 0.00 0.00 176.83 176.62 3kgl h ASN 428 N 0.28 0.00 -0.08 4.97 2.35 -1.45 0.25 115.58 121.90 3kgl h ASN 428 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3kgl h ASN 428 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kgl h ASN 428 CO -0.01 0.46 -0.04 1.23 -1.65 0.00 0.00 177.43 177.42 3kgl h GLY 429 N 1.44 0.19 -0.83 2.83 0.00 -0.57 -3.28 103.07 102.85 3kgl h GLY 429 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kgl h GLY 429 CO 0.06 0.15 -0.34 -1.72 0.00 0.00 0.00 176.54 174.70 3kgl n TYR 430 N -4.75 0.00 -3.37 5.60 4.01 -0.69 -4.95 117.16 113.01 3kgl n TYR 430 Ca -0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 3kgl n TYR 430 Cb 0.26 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.04 -1.43 -4.13 -0.72 6.02 0.76 -5.02 117.38 112.91 3kgl n GLN 431 Ca 0.11 1.20 -0.09 0.00 -0.01 0.00 0.00 57.00 58.21 3kgl n GLN 431 Cb 0.45 -4.28 -0.10 0.00 1.02 0.00 0.00 30.24 27.33 3kgl n GLN 431 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3kgl s ILE 432 N -2.98 0.12 1.08 5.09 -4.36 -0.51 -5.04 121.20 114.61 3kgl s ILE 432 Ca 0.01 -1.86 -0.17 0.00 -0.26 0.00 0.00 60.65 58.37 3kgl s ILE 432 Cb -0.00 -1.96 0.10 0.00 1.25 0.00 0.00 42.46 41.85 3kgl s ILE 432 CO 0.81 -0.53 0.15 -0.24 0.24 0.00 0.00 174.94 175.38 3kgl n SER 433 N -0.07 -2.26 0.07 4.36 2.88 -1.26 -4.57 113.62 112.77 3kgl n SER 433 Ca -0.07 -0.01 -0.06 0.00 -1.33 0.00 0.00 58.87 57.41 3kgl n SER 433 Cb 0.63 -1.03 -0.08 0.00 -0.75 0.00 0.00 64.21 62.98 3kgl n SER 433 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kgl h LEU 434 N -1.97 0.00 0.05 2.46 7.12 -1.96 -2.64 115.31 118.37 3kgl h LEU 434 Ca -0.51 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.28 3kgl h LEU 434 Cb 1.34 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 41.49 3kgl h LEU 434 CO 0.38 0.92 -0.89 -0.33 -0.13 0.00 0.00 178.44 178.39 3kgl h GLU 435 N 0.00 0.51 -0.48 1.25 3.07 -1.99 -1.83 114.58 115.11 3kgl h GLU 435 Ca -0.01 -0.62 -0.02 0.00 -0.50 0.00 0.00 59.36 58.22 3kgl h GLU 435 Cb 1.68 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 29.75 3kgl h GLU 435 CO 0.12 1.24 0.24 0.93 -1.40 0.00 0.00 179.01 180.14 3kgl h GLU 436 N 0.05 0.69 -0.65 2.33 5.08 -1.93 -0.56 114.58 119.60 3kgl h GLU 436 Ca -0.13 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3kgl h GLU 436 Cb 1.59 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.65 3kgl h GLU 436 CO 0.17 0.58 0.28 0.00 -1.00 0.00 0.00 179.01 179.04 3kgl h ALA 437 N 1.08 0.87 -0.61 3.43 0.00 -1.50 -0.33 119.26 122.19 3kgl h ALA 437 Ca 0.17 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3kgl h ALA 437 Cb 0.11 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3kgl h ALA 437 CO -0.02 -0.14 0.29 -0.09 0.00 0.00 0.00 179.25 179.29 3kgl h ARG 438 N 0.49 0.52 0.91 0.00 2.43 -0.35 -1.45 114.38 116.92 3kgl h ARG 438 Ca 0.33 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3kgl h ARG 438 Cb 0.38 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3kgl h ARG 438 CO -0.29 0.34 -0.44 0.00 -1.51 0.00 0.00 179.97 178.07 3kgl h ARG 439 N 0.53 -1.18 -0.17 0.20 3.08 -0.21 -1.12 114.38 115.52 3kgl h ARG 439 Ca 0.29 0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.47 3kgl h ARG 439 Cb 0.27 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3kgl h ARG 439 CO -0.23 -0.79 0.19 -0.39 -1.07 0.00 0.00 179.97 177.69 3kgl h VAL 440 N -1.22 0.45 0.11 2.04 -1.51 -0.81 -0.66 116.25 114.64 3kgl h VAL 440 Ca -0.12 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 65.02 3kgl h VAL 440 Cb 0.94 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 3kgl h VAL 440 CO 0.21 0.00 -1.74 0.50 -1.23 0.00 0.00 177.57 175.30 3kgl h LYS 441 N 0.00 0.23 0.00 5.19 3.64 -1.02 -3.42 116.57 121.19 3kgl h LYS 441 Ca 0.08 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 59.03 3kgl h LYS 441 Cb 0.46 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3kgl h LYS 441 CO -0.00 1.06 -1.40 1.19 -2.27 0.00 0.00 179.45 178.03 3kgl n PHE 442 N -3.41 0.00 0.17 1.91 3.72 -0.44 -4.64 117.46 114.77 3kgl n PHE 442 Ca -0.23 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.01 3kgl n PHE 442 Cb 1.05 -0.24 -0.09 0.00 -0.94 0.00 0.00 39.48 39.26 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 -1.44 -2.30 4.37 -0.26 -1.35 -3.38 115.58 111.22 3kgl h ASN 443 Ca -0.06 0.14 -0.58 0.00 -0.56 0.00 0.00 56.30 55.24 3kgl h ASN 443 Cb 0.70 0.52 -0.01 0.00 -1.06 0.00 0.00 38.32 38.47 3kgl h ASN 443 CO 0.00 -0.58 1.39 -0.89 -1.06 0.00 0.00 177.43 176.30 3kgl s THR 444 N -5.84 3.22 -0.10 2.81 2.01 -1.26 -4.81 115.64 111.66 3kgl s THR 444 Ca -0.17 0.23 0.16 0.00 0.31 0.00 0.00 61.69 62.21 3kgl s THR 444 Cb 0.06 -3.30 -0.15 0.00 0.01 0.00 0.00 72.50 69.12 3kgl s THR 444 CO 0.61 -0.19 0.83 0.16 -0.69 0.00 0.00 174.62 175.34 3kgl h ILE 445 N 7.00 0.61 -4.31 1.82 3.07 -1.94 -3.29 117.51 120.47 3kgl h ILE 445 Ca -0.38 -2.18 -0.51 0.00 1.55 0.00 0.00 64.86 63.34 3kgl h ILE 445 Cb 1.21 2.15 0.09 0.00 -0.27 0.00 0.00 36.82 40.00 3kgl h ILE 445 CO 0.99 0.35 0.37 -1.83 -1.05 0.00 0.00 178.15 176.98 3kgl s GLU 446 N -2.85 2.93 -0.16 0.16 1.03 -1.26 -4.37 118.70 114.18 3kgl s GLU 446 Ca -0.03 1.02 -0.18 0.00 0.03 0.00 0.00 54.97 55.81 3kgl s GLU 446 Cb 0.08 -1.99 -0.23 0.00 -0.80 0.00 0.00 34.13 31.20 3kgl s GLU 446 CO 0.81 -1.11 0.37 1.15 -1.33 0.00 0.00 175.26 175.15 3kgl h THR 447 N -0.58 0.95 0.00 1.83 2.02 -1.93 -2.71 112.91 112.49 3kgl h THR 447 Ca -0.44 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.46 3kgl h THR 447 Cb 1.21 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 3kgl h THR 447 CO 0.56 0.54 -0.20 0.41 0.37 0.00 0.00 175.52 177.20 3kgl n THR 448 N -4.14 0.00 -5.14 3.16 -1.04 -1.26 -4.59 114.28 101.27 3kgl n THR 448 Ca -0.29 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 3kgl n THR 448 Cb 0.79 -0.15 -0.16 0.00 -1.82 0.00 0.00 70.33 68.99 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 -1.45 2.04 0.30 -4.42 1.43 -1.26 -0.81 118.68 114.51 3kgl s LEU 449 Ca 0.00 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3kgl s LEU 449 Cb 0.00 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 3kgl s LEU 449 CO 0.00 0.26 0.38 0.28 0.23 0.00 0.00 176.35 177.51 3kgl s THR 450 N -0.41 0.00 0.60 5.49 -1.32 -0.61 -4.79 115.64 114.61 3kgl s THR 450 Ca 0.05 -1.71 -0.00 0.00 -1.21 0.00 0.00 61.69 58.82 3kgl s THR 450 Cb -0.10 -2.53 0.05 0.00 -1.51 0.00 0.00 72.50 68.41 3kgl s THR 450 CO 0.00 0.00 0.85 -1.00 -2.21 0.00 0.00 174.62 172.26 3kgl s HIS 451 N -3.44 2.73 -0.28 9.09 3.76 -1.26 -0.93 115.29 124.95 3kgl s HIS 451 Ca 0.33 0.04 -0.32 0.00 -0.15 0.00 0.00 55.06 54.97 3kgl s HIS 451 Cb 0.01 -2.87 0.18 0.00 1.11 0.00 0.00 32.58 31.01 3kgl s HIS 451 CO 0.19 -1.07 1.35 -1.54 -0.85 0.00 0.00 174.74 172.82 3kgl s SER 452 N -4.48 -0.04 -0.04 1.40 1.04 -1.07 -4.67 113.70 105.85 3kgl s SER 452 Ca 0.59 0.03 0.02 0.00 0.48 0.00 0.00 55.95 57.07 3kgl s SER 452 Cb -0.10 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.07 3kgl s SER 452 CO 0.40 -0.04 -0.06 -0.44 0.98 0.00 0.00 173.24 174.08 3kgl s SER 453 N -1.30 1.02 0.00 7.02 0.01 -1.26 -4.70 113.70 114.48 3kgl s SER 453 Ca 0.09 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3kgl s SER 453 Cb -0.01 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.82 3kgl s SER 453 CO -0.06 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.19 3kgl n GLY 454 N 3.70 -0.85 0.00 3.44 0.00 -1.26 -5.22 105.19 105.00 3kgl n GLY 454 Ca -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3kgl n GLY 454 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27