#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gak s LEU 3 N 0.00 4.25 0.05 1.53 2.96 -1.26 -2.23 118.68 123.98 3gak s LEU 3 Ca 0.00 1.15 0.09 0.00 -0.22 0.00 0.00 54.13 55.14 3gak s LEU 3 Cb 0.00 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3gak s LEU 3 CO 0.00 -0.22 -0.24 0.00 -1.32 0.00 0.00 176.35 174.57 3gak s THR 5 N -0.82 4.53 0.16 0.00 -4.23 -1.26 -4.18 115.64 109.85 3gak s THR 5 Ca 0.10 1.20 0.05 0.00 -1.18 0.00 0.00 61.69 61.86 3gak s THR 5 Cb -0.09 -3.66 -0.15 0.00 1.34 0.00 0.00 72.50 69.93 3gak s THR 5 CO 0.02 -0.47 1.38 0.25 -0.54 0.00 0.00 174.62 175.26 3gak h LEU 6 N 1.49 0.15 -0.40 4.79 5.85 -1.95 -1.52 115.31 123.72 3gak h LEU 6 Ca -0.48 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.20 3gak h LEU 6 Cb 1.18 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 3gak h LEU 6 CO 0.62 0.96 -0.16 -0.09 -0.34 0.00 0.00 178.44 179.43 3gak h ARG 7 N 0.06 -0.08 0.27 1.25 2.43 -1.93 -1.57 114.38 114.82 3gak h ARG 7 Ca -0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3gak h ARG 7 Cb 1.54 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 3gak h ARG 7 CO 0.13 -0.05 -0.13 0.37 -1.51 0.00 0.00 179.97 178.78 3gak h GLN 8 N -0.08 -0.35 -1.15 0.20 4.15 -1.90 0.74 115.11 116.72 3gak h GLN 8 Ca 0.19 0.02 0.33 0.00 0.77 0.00 0.00 58.65 59.96 3gak h GLN 8 Cb 0.38 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.08 3gak h GLN 8 CO -0.45 -0.23 0.80 1.98 -1.93 0.00 0.00 178.83 179.00 3gak h MET 9 N -0.87 0.12 0.00 1.69 4.05 -1.36 1.21 114.93 119.77 3gak h MET 9 Ca -0.04 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.27 3gak h MET 9 Cb 0.28 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 3gak h MET 9 CO 0.06 0.08 -1.16 -0.07 0.23 0.00 0.00 176.91 176.06 3gak h LEU 10 N 0.13 0.00 0.21 3.39 3.38 -1.28 -3.18 115.31 117.95 3gak h LEU 10 Ca 0.59 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.57 3gak h LEU 10 Cb 2.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 3gak h LEU 10 CO -0.12 0.37 -0.26 1.23 0.09 0.00 0.00 178.44 179.76 3gak h GLY 11 N 3.79 -0.54 2.00 0.83 0.00 0.80 0.35 103.07 110.29 3gak h GLY 11 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3gak h GLY 11 CO 0.03 -0.23 0.00 1.18 0.00 0.00 0.00 176.54 177.52 3gak n GLU 12 N -5.38 0.15 0.08 4.80 -0.58 0.26 -2.48 120.64 117.49 3gak n GLU 12 Ca -0.08 0.30 -0.22 0.00 -0.42 0.00 0.00 57.16 56.75 3gak n GLU 12 Cb 0.29 -1.74 -0.15 0.00 -0.57 0.00 0.00 31.44 29.26 3gak n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gak h ALA 13 N 2.44 -0.11 0.59 0.62 0.00 -1.21 -3.16 119.26 118.43 3gak h ALA 13 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 3gak h ALA 13 Cb 0.43 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3gak h ALA 13 CO 0.00 0.50 -0.28 -0.09 0.00 0.00 0.00 179.25 179.38 3gak h ARG 14 N -0.19 -0.76 -1.24 0.00 2.43 -0.66 -2.08 114.38 111.87 3gak h ARG 14 Ca -0.19 0.05 0.42 0.00 -0.81 0.00 0.00 59.98 59.45 3gak h ARG 14 Cb 1.83 0.17 -0.13 0.00 -0.42 0.00 0.00 29.97 31.42 3gak h ARG 14 CO 0.19 -0.46 0.78 -0.22 -1.51 0.00 0.00 179.97 178.76 3gak h LYS 15 N -1.10 0.11 -0.22 0.20 3.64 -1.69 -2.58 116.57 114.92 3gak h LYS 15 Ca -0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3gak h LYS 15 Cb 0.66 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3gak h LYS 15 CO 0.13 0.07 0.00 0.72 -2.27 0.00 0.00 179.45 178.10 3gak n HIS 16 N -4.79 0.50 -3.84 1.91 8.25 -1.14 -4.99 115.22 111.11 3gak n HIS 16 Ca 0.36 -0.69 -0.25 0.00 -0.26 0.00 0.00 57.72 56.88 3gak n HIS 16 Cb 1.35 -0.14 0.02 0.00 1.12 0.00 0.00 29.99 32.33 3gak n HIS 16 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gak n LYS 17 N -0.23 -4.72 -4.09 -0.41 4.01 -0.84 -4.98 118.16 106.90 3gak n LYS 17 Ca 0.14 0.56 -0.09 0.00 -0.51 0.00 0.00 58.31 58.40 3gak n LYS 17 Cb 0.58 -5.15 -0.09 0.00 -0.51 0.00 0.00 35.03 29.86 3gak n LYS 17 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 3gak s TYR 18 N -3.59 0.70 0.02 2.13 -0.85 -0.87 -4.66 117.35 110.22 3gak s TYR 18 Ca 0.24 -1.08 0.05 0.00 -0.52 0.00 0.00 57.07 55.76 3gak s TYR 18 Cb -0.12 -0.35 -0.02 0.00 0.38 0.00 0.00 41.96 41.85 3gak s TYR 18 CO 0.84 -0.56 -0.16 0.20 -1.52 0.00 0.00 175.55 174.34 3gak s GLY 19 N -3.01 0.86 -0.25 5.49 0.00 -1.00 -4.36 107.32 105.05 3gak s GLY 19 Ca 0.20 -0.81 -0.11 0.00 0.00 0.00 0.00 44.72 44.01 3gak s GLY 19 CO 0.00 -0.73 0.18 0.14 0.00 0.00 0.00 173.10 172.69 3gak s VAL 20 N -0.61 5.34 0.22 1.40 1.01 0.25 -4.29 120.40 123.72 3gak s VAL 20 Ca 0.05 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 3gak s VAL 20 Cb -0.07 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 3gak s VAL 20 CO 0.00 0.32 1.13 -0.83 0.00 0.00 0.00 175.10 175.72 3gak s GLY 21 N 1.20 2.89 -0.13 4.51 0.00 -1.26 -1.13 107.32 113.40 3gak s GLY 21 Ca 0.08 0.89 0.03 0.00 0.00 0.00 0.00 44.72 45.72 3gak s GLY 21 CO 0.06 1.66 -0.21 0.00 0.00 0.00 0.00 173.10 174.60 3gak s ALA 22 N -0.55 2.28 -0.13 3.20 0.00 0.28 -3.46 121.76 123.37 3gak s ALA 22 Ca 0.48 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.42 3gak s ALA 22 Cb -0.31 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 21.85 3gak s ALA 22 CO 0.38 0.10 -0.15 -0.06 0.00 0.00 0.00 175.76 176.03 3gak s PHE 23 N 0.62 2.07 0.05 0.00 0.08 -1.00 0.08 117.98 119.87 3gak s PHE 23 Ca -0.11 -1.07 -0.30 0.00 0.12 0.00 0.00 56.93 55.56 3gak s PHE 23 Cb -0.16 -1.51 -0.08 0.00 -0.57 0.00 0.00 43.02 40.70 3gak s PHE 23 CO 0.03 -0.57 1.61 -0.80 -0.10 0.00 0.00 175.22 175.38 3gak s ASN 24 N 1.24 6.65 0.11 1.36 -0.87 -1.24 -0.16 114.94 122.03 3gak s ASN 24 Ca -0.01 2.40 0.07 0.00 -1.57 0.00 0.00 52.86 53.75 3gak s ASN 24 Cb -0.14 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.49 3gak s ASN 24 CO -0.06 -0.86 -0.11 0.68 -2.57 0.00 0.00 177.10 174.18 3gak s VAL 25 N 2.70 3.28 0.00 1.60 -7.23 -0.14 -4.90 120.40 115.71 3gak s VAL 25 Ca 0.72 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 3gak s VAL 25 Cb -0.38 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.03 3gak s VAL 25 CO 0.31 0.11 0.00 0.59 -0.31 0.00 0.00 175.10 175.80 3gak n ASN 26 N 0.72 0.19 -0.62 4.85 3.02 -1.26 -4.69 115.26 117.47 3gak n ASN 26 Ca -0.14 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3gak n ASN 26 Cb 0.52 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 3gak n ASN 26 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3gak n ASN 27 N -0.29 0.00 -0.06 6.41 0.23 -1.26 -4.72 115.26 115.57 3gak n ASN 27 Ca 0.00 -0.62 -0.09 0.00 -0.53 0.00 0.00 54.58 53.34 3gak n ASN 27 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 3gak n ASN 27 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 3gak h MET 28 N 0.00 -0.00 -0.99 -3.83 1.85 -1.99 -2.85 114.93 107.12 3gak h MET 28 Ca 0.00 0.00 0.28 0.00 -0.61 0.00 0.00 59.70 59.37 3gak h MET 28 Cb 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 3gak h MET 28 CO 0.00 0.61 0.69 0.93 -0.40 0.00 0.00 176.91 178.75 3gak h GLU 29 N -1.00 0.09 0.21 0.39 3.07 -1.98 0.21 114.58 115.57 3gak h GLU 29 Ca -0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3gak h GLU 29 Cb 0.62 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3gak h GLU 29 CO 0.00 0.06 -0.10 1.96 -1.40 0.00 0.00 179.01 179.53 3gak h GLN 30 N 0.09 -0.28 -1.18 2.33 4.20 -1.96 -1.23 115.11 117.08 3gak h GLN 30 Ca 0.49 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.58 3gak h GLN 30 Cb 1.76 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 29.49 3gak h GLN 30 CO -0.06 -0.18 0.75 0.82 -0.67 0.00 0.00 178.83 179.49 3gak h ILE 31 N -0.97 0.28 -0.09 2.54 2.04 -1.03 0.27 117.51 120.55 3gak h ILE 31 Ca -0.03 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 3gak h ILE 31 Cb 0.22 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3gak h ILE 31 CO 0.05 0.04 -0.11 1.56 0.00 0.00 0.00 178.15 179.68 3gak h GLN 32 N 0.22 0.24 0.33 2.37 4.20 -0.67 -1.87 115.11 119.93 3gak h GLN 32 Ca 0.73 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 59.30 3gak h GLN 32 Cb 2.09 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.86 3gak h GLN 32 CO -0.40 0.68 -0.41 0.78 -0.67 0.00 0.00 178.83 178.81 3gak h GLY 33 N -0.18 -1.16 -0.82 3.46 0.00 0.78 0.23 103.07 105.37 3gak h GLY 33 Ca 0.01 0.56 0.07 0.00 0.00 0.00 0.00 47.33 47.97 3gak h GLY 33 CO 0.03 -0.34 -0.50 -2.22 0.00 0.00 0.00 176.54 173.50 3gak h ILE 34 N -0.77 0.00 -0.40 2.60 2.04 -1.50 -2.50 117.51 116.99 3gak h ILE 34 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.90 3gak h ILE 34 Cb 0.68 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 3gak h ILE 34 CO -0.09 0.00 -0.17 0.24 0.00 0.00 0.00 178.15 178.13 3gak h MET 35 N -0.02 -0.09 -0.95 2.37 2.86 -1.08 0.13 114.93 118.14 3gak h MET 35 Ca 0.13 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.98 3gak h MET 35 Cb 0.36 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 3gak h MET 35 CO -0.78 -0.06 0.61 -0.22 1.06 0.00 0.00 176.91 177.52 3gak h LYS 36 N -0.09 0.53 0.39 1.72 3.11 -0.59 -1.44 116.57 120.20 3gak h LYS 36 Ca 0.20 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.98 3gak h LYS 36 Cb 0.39 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 3gak h LYS 36 CO -0.46 0.35 -0.19 0.00 -2.81 0.00 0.00 179.45 176.34 3gak h ALA 37 N 1.62 -0.54 -0.85 5.00 0.00 -0.36 -2.48 119.26 121.65 3gak h ALA 37 Ca 0.51 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 55.51 3gak h ALA 37 Cb 1.08 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 3gak h ALA 37 CO -0.25 -0.50 0.31 -0.39 0.00 0.00 0.00 179.25 178.42 3gak h VAL 38 N -1.12 0.47 -0.15 0.00 -1.51 -1.23 -1.51 116.25 111.21 3gak h VAL 38 Ca -0.05 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3gak h VAL 38 Cb 0.41 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.65 3gak h VAL 38 CO 0.09 0.06 0.09 0.58 -1.23 0.00 0.00 177.57 177.16 3gak h VAL 39 N 0.35 1.05 -0.81 7.19 2.07 -1.34 0.38 116.25 125.14 3gak h VAL 39 Ca 0.52 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 68.04 3gak h VAL 39 Cb 0.96 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.52 3gak h VAL 39 CO -0.54 0.05 0.42 -0.61 0.02 0.00 0.00 177.57 176.91 3gak h GLN 40 N 0.18 0.64 -0.62 1.57 4.15 -0.82 -1.31 115.11 118.90 3gak h GLN 40 Ca 0.05 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 3gak h GLN 40 Cb 0.00 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 3gak h GLN 40 CO -0.01 0.42 0.11 1.28 -1.93 0.00 0.00 178.83 178.70 3gak n LEU 41 N -4.84 5.80 -3.98 -2.39 4.77 -0.69 -4.97 117.00 110.70 3gak n LEU 41 Ca 0.14 -3.07 -0.41 0.00 -0.03 0.00 0.00 56.01 52.65 3gak n LEU 41 Cb 0.35 -0.70 0.02 0.00 -2.33 0.00 0.00 43.42 40.76 3gak n LEU 41 CO 0.23 0.71 -0.17 0.29 -1.33 0.00 0.00 177.39 177.13 3gak n LYS 42 N 0.24 -0.59 -4.23 3.23 5.02 0.07 -1.26 118.16 120.64 3gak n LYS 42 Ca 0.33 0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 56.67 3gak n LYS 42 Cb 1.26 -2.64 -0.12 0.00 -0.02 0.00 0.00 35.03 33.51 3gak n LYS 42 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gak s SER 43 N -3.40 2.06 0.84 4.39 0.15 0.11 -1.39 113.70 116.46 3gak s SER 43 Ca 0.39 -0.64 -0.12 0.00 0.70 0.00 0.00 55.95 56.28 3gak s SER 43 Cb -0.21 -0.09 0.10 0.00 -1.71 0.00 0.00 66.02 64.11 3gak s SER 43 CO 0.95 -0.01 1.11 -2.16 1.20 0.00 0.00 173.24 174.32 3gak s PRO 44 N -1.80 1.71 -0.02 5.44 0.04 -1.26 -4.64 135.00 134.48 3gak s PRO 44 Ca 0.02 0.52 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 3gak s PRO 44 Cb -0.10 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.58 3gak s PRO 44 CO 0.03 -1.85 0.36 0.54 0.04 0.00 0.00 177.00 176.12 3gak s VAL 45 N -3.19 0.05 -0.17 -0.36 0.11 -0.35 -4.83 120.40 111.66 3gak s VAL 45 Ca 0.62 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 3gak s VAL 45 Cb -0.15 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 3gak s VAL 45 CO 0.54 -0.23 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.29 3gak s ILE 46 N -1.30 2.48 -0.23 7.04 1.01 -1.22 -1.48 121.20 127.49 3gak s ILE 46 Ca -0.13 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 3gak s ILE 46 Cb -0.05 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 3gak s ILE 46 CO 0.05 0.52 0.03 -0.76 0.00 0.00 0.00 174.94 174.78 3gak s LEU 47 N 1.02 3.30 -0.21 2.97 1.43 0.30 -2.39 118.68 125.11 3gak s LEU 47 Ca -0.01 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 3gak s LEU 47 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3gak s LEU 47 CO -0.04 -0.01 0.10 -1.10 0.23 0.00 0.00 176.35 175.53 3gak s GLN 48 N 1.44 3.99 -0.35 1.70 -0.21 0.77 -1.21 119.66 125.79 3gak s GLN 48 Ca 0.05 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.13 3gak s GLN 48 Cb -0.15 -3.35 0.10 0.00 1.00 0.00 0.00 33.01 30.61 3gak s GLN 48 CO 0.02 0.16 0.07 0.00 -2.12 0.00 0.00 175.29 173.41 3gak n SER 50 N 4.34 0.31 0.28 0.00 3.41 -1.26 -2.61 113.62 118.09 3gak n SER 50 Ca 0.01 0.44 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 3gak n SER 50 Cb 0.42 -1.47 0.81 0.00 -0.26 0.00 0.00 64.21 63.71 3gak n SER 50 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gak h ARG 51 N -1.73 0.00 -0.05 4.33 3.08 -1.87 0.10 114.38 118.25 3gak h ARG 51 Ca -0.44 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.36 3gak h ARG 51 Cb 1.28 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.34 3gak h ARG 51 CO 0.41 0.07 -0.97 0.78 -1.07 0.00 0.00 179.97 179.20 3gak h GLY 52 N 0.52 0.82 0.75 0.04 0.00 -1.93 -2.97 103.07 100.29 3gak h GLY 52 Ca -0.00 -1.35 0.02 0.00 0.00 0.00 0.00 47.33 46.01 3gak h GLY 52 CO 0.01 1.19 -0.05 0.00 0.00 0.00 0.00 176.54 177.70 3gak h ALA 53 N 0.45 0.04 0.02 3.60 0.00 -1.16 0.22 119.26 122.43 3gak h ALA 53 Ca -0.11 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gak h ALA 53 Cb 1.61 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 3gak h ALA 53 CO 0.19 -0.51 -0.34 -0.07 0.00 0.00 0.00 179.25 178.52 3gak h LEU 54 N -0.04 -1.01 -0.30 0.00 3.38 -1.35 -0.53 115.31 115.47 3gak h LEU 54 Ca 0.05 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3gak h LEU 54 Cb 0.12 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3gak h LEU 54 CO -0.12 -0.40 0.15 0.50 0.09 0.00 0.00 178.44 178.66 3gak h LYS 55 N -0.51 0.31 -0.97 1.13 3.64 -1.49 0.34 116.57 119.03 3gak h LYS 55 Ca 0.05 -0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.65 3gak h LYS 55 Cb 0.58 -0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.21 3gak h LYS 55 CO -0.26 0.20 0.52 -0.92 -2.27 0.00 0.00 179.45 176.73 3gak h TYR 56 N 0.32 0.89 -0.44 1.91 3.20 -0.24 0.42 116.97 123.03 3gak h TYR 56 Ca 0.12 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3gak h TYR 56 Cb 0.03 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3gak h TYR 56 CO -0.09 0.02 0.01 -1.13 -1.64 0.00 0.00 178.16 175.32 3gak n SER 57 N -4.95 4.85 -4.19 -2.11 3.41 -0.23 -4.94 113.62 105.46 3gak n SER 57 Ca 0.25 -3.00 -0.33 0.00 -0.26 0.00 0.00 58.87 55.54 3gak n SER 57 Cb 0.72 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 3gak n SER 57 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gak n ASP 58 N 0.06 -0.22 0.00 4.04 8.00 0.14 -3.21 116.55 125.35 3gak n ASP 58 Ca 0.26 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.61 3gak n ASP 58 Cb 1.07 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3gak n ASP 58 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3gak n MET 59 N -4.01 0.00 0.07 -1.24 2.81 1.00 -4.34 117.12 111.40 3gak n MET 59 Ca -0.12 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.65 3gak n MET 59 Cb 0.53 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.99 3gak n MET 59 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3gak h ILE 60 N 0.00 0.74 -0.88 2.02 6.09 -1.88 -0.87 117.51 122.73 3gak h ILE 60 Ca 0.00 0.00 0.10 0.00 -1.37 0.00 0.00 64.86 63.59 3gak h ILE 60 Cb 0.00 0.74 -0.08 0.00 0.47 0.00 0.00 36.82 37.96 3gak h ILE 60 CO 0.00 0.00 0.52 1.88 -3.07 0.00 0.00 178.15 177.48 3gak h TYR 61 N -0.20 0.94 -0.43 2.19 0.05 -1.74 -0.16 116.97 117.62 3gak h TYR 61 Ca 0.03 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 3gak h TYR 61 Cb 0.23 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3gak h TYR 61 CO -0.15 0.38 -0.09 1.25 -1.05 0.00 0.00 178.16 178.50 3gak h LEU 62 N 0.85 0.82 0.24 3.88 5.85 -1.60 0.20 115.31 125.55 3gak h LEU 62 Ca 0.43 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3gak h LEU 62 Cb 0.40 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3gak h LEU 62 CO -0.25 0.98 -0.27 0.50 -0.34 0.00 0.00 178.44 179.06 3gak h LYS 63 N 0.64 -0.53 -0.33 1.25 3.64 -0.33 -2.18 116.57 118.73 3gak h LYS 63 Ca 0.11 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 3gak h LYS 63 Cb 0.62 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.49 3gak h LYS 63 CO 0.04 -0.35 -0.09 0.87 -2.27 0.00 0.00 179.45 177.64 3gak h LYS 64 N -0.55 -0.01 -0.74 1.90 1.79 -0.94 -0.71 116.57 117.30 3gak h LYS 64 Ca 0.00 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.59 3gak h LYS 64 Cb 0.52 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.09 3gak h LYS 64 CO -0.08 -0.01 0.34 -0.07 -1.08 0.00 0.00 179.45 178.55 3gak h LEU 65 N -0.01 0.38 -0.71 2.94 3.38 -0.49 0.22 115.31 121.02 3gak h LEU 65 Ca 0.16 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3gak h LEU 65 Cb 0.26 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3gak h LEU 65 CO -0.35 0.19 0.37 0.00 0.09 0.00 0.00 178.44 178.74 3gak h GLU 67 N 0.99 0.00 -0.46 0.00 5.08 0.42 0.51 114.58 121.11 3gak h GLU 67 Ca 0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3gak h GLU 67 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3gak h GLU 67 CO -0.04 0.14 0.04 0.00 -1.00 0.00 0.00 179.01 178.15 3gak h ALA 68 N 1.86 0.62 -0.30 3.43 0.00 -0.66 -2.32 119.26 121.89 3gak h ALA 68 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3gak h ALA 68 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gak h ALA 68 CO 0.02 0.38 0.01 0.00 0.00 0.00 0.00 179.25 179.65 3gak h ALA 69 N 0.94 0.40 -0.93 0.00 0.00 -0.64 0.23 119.26 119.25 3gak h ALA 69 Ca 0.14 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.96 3gak h ALA 69 Cb 0.44 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3gak h ALA 69 CO 0.02 0.14 0.59 -0.07 0.00 0.00 0.00 179.25 179.93 3gak h LEU 70 N 0.31 0.74 0.00 0.00 3.38 -1.27 -1.36 115.31 117.11 3gak h LEU 70 Ca 0.08 0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.82 3gak h LEU 70 Cb 0.42 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3gak h LEU 70 CO 0.01 0.37 -1.66 -0.33 0.09 0.00 0.00 178.44 176.92 3gak h GLU 71 N 0.78 0.00 -0.16 1.13 5.08 -1.01 -3.21 114.58 117.18 3gak h GLU 71 Ca 0.47 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.68 3gak h GLU 71 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3gak h GLU 71 CO -0.24 0.53 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.57 3gak h LYS 72 N 0.00 0.46 -2.13 2.33 3.64 0.02 -3.38 116.57 117.51 3gak h LYS 72 Ca -0.27 -0.28 -0.57 0.00 -1.27 0.00 0.00 60.65 58.27 3gak h LYS 72 Cb 2.00 0.03 -0.41 0.00 -0.41 0.00 0.00 32.23 33.43 3gak h LYS 72 CO 0.08 0.87 -0.85 0.72 -2.27 0.00 0.00 179.45 178.00 3gak n HIS 73 N -3.96 2.09 1.18 1.91 8.25 -0.57 -4.97 115.22 119.15 3gak n HIS 73 Ca -0.03 -3.91 0.12 0.00 -0.26 0.00 0.00 57.72 53.65 3gak n HIS 73 Cb 0.58 -0.46 0.63 0.00 1.12 0.00 0.00 29.99 31.85 3gak n HIS 73 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3gak n PRO 74 N 0.63 0.34 -0.68 -0.41 -0.04 -1.21 -1.91 135.00 131.72 3gak n PRO 74 Ca 0.27 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 3gak n PRO 74 Cb 0.48 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.71 3gak n PRO 74 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gak n ASP 75 N -1.30 3.93 -3.99 3.54 10.43 -1.26 -0.88 116.55 127.02 3gak n ASP 75 Ca 0.12 -3.22 -0.31 0.00 2.57 0.00 0.00 54.79 53.96 3gak n ASP 75 Cb 0.21 -0.62 -0.16 0.00 1.84 0.00 0.00 41.12 42.39 3gak n ASP 75 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3gak s ILE 76 N -2.95 1.68 -0.27 0.53 -1.09 -0.80 -4.70 121.20 113.59 3gak s ILE 76 Ca 0.46 -1.18 -0.28 0.00 -2.23 0.00 0.00 60.65 57.43 3gak s ILE 76 Cb 0.38 -1.83 -0.05 0.00 -1.58 0.00 0.00 42.46 39.38 3gak s ILE 76 CO 0.08 0.04 2.23 -2.84 -1.23 0.00 0.00 174.94 173.23 3gak s PRO 77 N 1.35 2.96 -0.13 2.79 0.02 -1.26 -3.60 135.00 137.14 3gak s PRO 77 Ca -0.04 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.88 3gak s PRO 77 Cb -0.18 -4.40 -0.01 0.00 0.02 0.00 0.00 34.50 29.93 3gak s PRO 77 CO -0.07 -2.29 -0.15 0.42 -0.33 0.00 0.00 177.00 174.58 3gak s ILE 78 N 8.90 2.89 -0.06 2.83 1.01 -0.95 -1.22 121.20 134.61 3gak s ILE 78 Ca 0.99 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.98 3gak s ILE 78 Cb -0.30 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3gak s ILE 78 CO 0.33 0.53 -0.21 0.00 0.00 0.00 0.00 174.94 175.59 3gak s ILE 80 N -0.32 3.30 -0.11 0.00 -1.09 -1.26 0.11 121.20 121.84 3gak s ILE 80 Ca 0.02 -0.56 -0.04 0.00 -2.23 0.00 0.00 60.65 57.83 3gak s ILE 80 Cb -0.13 -2.42 0.06 0.00 -1.58 0.00 0.00 42.46 38.39 3gak s ILE 80 CO 0.02 0.50 0.20 -2.28 -1.23 0.00 0.00 174.94 172.15 3gak s HIS 81 N 0.54 -0.27 0.07 3.97 5.65 -0.35 -2.15 115.29 122.76 3gak s HIS 81 Ca -0.06 0.72 -0.31 0.00 0.25 0.00 0.00 55.06 55.65 3gak s HIS 81 Cb -0.15 -0.19 -0.08 0.00 -1.18 0.00 0.00 32.58 30.98 3gak s HIS 81 CO 0.03 -0.32 1.53 -1.17 -0.65 0.00 0.00 174.74 174.17 3gak s LEU 82 N 2.34 4.35 -0.17 8.88 2.96 -1.12 -0.58 118.68 135.34 3gak s LEU 82 Ca 0.03 2.38 -0.07 0.00 -0.22 0.00 0.00 54.13 56.25 3gak s LEU 82 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3gak s LEU 82 CO -0.07 -0.79 0.06 -0.62 -1.32 0.00 0.00 176.35 173.61 3gak s ASP 83 N 1.85 5.63 -1.03 3.68 3.68 -1.07 -1.91 116.67 127.49 3gak s ASP 83 Ca 0.69 0.10 -0.01 0.00 2.13 0.00 0.00 52.55 55.46 3gak s ASP 83 Cb -0.38 -1.94 0.00 0.00 -1.45 0.00 0.00 42.92 39.15 3gak s ASP 83 CO 0.30 0.20 0.87 1.41 0.13 0.00 0.00 175.17 178.08 3gak n HIS 84 N 3.38 -1.92 -1.64 -5.34 8.25 -1.26 -4.04 115.22 112.65 3gak n HIS 84 Ca -0.17 0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 57.69 3gak n HIS 84 Cb 0.52 -4.60 0.02 0.00 1.12 0.00 0.00 29.99 27.05 3gak n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gak n GLY 85 N -1.19 -0.02 0.44 -1.41 0.00 0.25 -4.72 105.19 98.54 3gak n GLY 85 Ca -0.22 0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3gak n GLY 85 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gak n ASP 86 N 0.21 1.60 -2.12 1.61 5.75 -1.26 -0.76 116.55 121.58 3gak n ASP 86 Ca 0.09 0.26 -0.01 0.00 -0.01 0.00 0.00 54.79 55.12 3gak n ASP 86 Cb 0.41 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3gak n ASP 86 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3gak n THR 87 N -4.08 0.00 0.01 2.12 -2.24 -1.26 -4.76 114.28 104.08 3gak n THR 87 Ca -0.12 -0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.65 3gak n THR 87 Cb 0.38 -1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 67.25 3gak n THR 87 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gak n LEU 88 N 0.00 0.34 0.07 3.22 7.99 -1.26 -4.23 117.00 123.13 3gak n LEU 88 Ca 0.01 0.14 -0.03 0.00 -0.01 0.00 0.00 56.01 56.12 3gak n LEU 88 Cb 0.03 0.07 -0.07 0.00 -0.11 0.00 0.00 43.42 43.34 3gak n LEU 88 CO 0.02 0.06 0.07 -0.33 -1.51 0.00 0.00 177.39 175.70 3gak h GLU 89 N 0.00 0.00 -1.01 3.23 4.39 -1.98 -1.54 114.58 117.67 3gak h GLU 89 Ca -0.11 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.60 3gak h GLU 89 Cb 1.29 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 3gak h GLU 89 CO 0.01 0.66 0.66 0.66 -1.16 0.00 0.00 179.01 179.85 3gak h SER 90 N 0.00 1.16 -0.04 1.42 4.64 -1.98 -0.75 113.55 118.00 3gak h SER 90 Ca -0.07 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.00 3gak h SER 90 Cb 1.66 -0.29 0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3gak h SER 90 CO 0.09 0.84 -0.78 -0.37 -0.87 0.00 0.00 176.83 175.74 3gak h VAL 91 N 1.37 1.30 -0.78 0.95 -1.51 -1.63 0.20 116.25 116.14 3gak h VAL 91 Ca 0.37 -2.03 0.09 0.00 -1.23 0.00 0.00 66.70 63.90 3gak h VAL 91 Cb -0.15 2.03 -0.07 0.00 -2.13 0.00 0.00 31.29 30.97 3gak h VAL 91 CO -0.08 0.64 0.43 0.11 -1.23 0.00 0.00 177.57 177.44 3gak h LYS 92 N 0.47 0.71 0.49 5.19 1.57 -1.17 0.38 116.57 124.21 3gak h LYS 92 Ca -0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3gak h LYS 92 Cb 1.40 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 3gak h LYS 92 CO 0.15 0.47 -0.38 1.98 -0.57 0.00 0.00 179.45 181.10 3gak h MET 93 N 0.73 -0.83 -0.77 3.15 4.05 -0.49 0.70 114.93 121.47 3gak h MET 93 Ca 0.38 0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.81 3gak h MET 93 Cb 0.36 0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 3gak h MET 93 CO -0.25 -0.55 0.31 0.00 0.23 0.00 0.00 176.91 176.64 3gak h ALA 94 N -0.51 1.01 -0.03 0.39 0.00 0.02 -2.05 119.26 118.10 3gak h ALA 94 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gak h ALA 94 Cb 0.73 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gak h ALA 94 CO -0.00 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.72 3gak h ILE 95 N 1.12 1.03 -0.99 0.00 2.04 -0.25 -1.82 117.51 118.64 3gak h ILE 95 Ca 0.26 -0.07 0.29 0.00 1.00 0.00 0.00 64.86 66.33 3gak h ILE 95 Cb 0.22 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3gak h ILE 95 CO -0.02 0.02 0.72 0.44 0.00 0.00 0.00 178.15 179.31 3gak h ASP 96 N 0.01 0.00 0.00 1.72 3.32 -0.19 -0.93 116.42 120.35 3gak h ASP 96 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gak h ASP 96 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3gak h ASP 96 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 3gak n LEU 97 N -4.22 0.00 -0.13 1.55 4.77 -0.70 -4.86 117.00 113.41 3gak n LEU 97 Ca 0.21 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3gak n LEU 97 Cb 1.06 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.14 3gak n LEU 97 CO 0.39 0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 177.04 3gak n GLY 98 N 0.50 0.52 3.67 -0.72 0.00 -0.35 -4.91 105.19 103.89 3gak n GLY 98 Ca 0.09 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3gak n GLY 98 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gak n PHE 99 N -2.80 1.22 -0.61 1.61 0.99 -1.12 -5.00 117.46 111.75 3gak n PHE 99 Ca -0.02 0.41 0.00 0.00 -0.00 0.00 0.00 57.45 57.84 3gak n PHE 99 Cb 0.13 -2.14 0.00 0.00 -1.00 0.00 0.00 39.48 36.47 3gak n PHE 99 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3gak n SER 100 N -2.25 0.75 -3.67 4.37 3.41 -0.97 -4.71 113.62 110.53 3gak n SER 100 Ca 0.14 -1.36 -0.15 0.00 -0.26 0.00 0.00 58.87 57.25 3gak n SER 100 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 3gak n SER 100 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gak s SER 101 N -0.36 -0.35 0.00 4.04 0.15 -0.92 -3.29 113.70 112.98 3gak s SER 101 Ca 0.00 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.92 3gak s SER 101 Cb 0.00 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.70 3gak s SER 101 CO 0.00 -0.53 -0.02 0.68 1.20 0.00 0.00 173.24 174.57 3gak s VAL 102 N -1.45 0.12 -0.17 4.45 -7.23 -0.21 -2.78 120.40 113.12 3gak s VAL 102 Ca -0.12 -0.18 -0.04 0.00 -1.81 0.00 0.00 61.98 59.84 3gak s VAL 102 Cb -0.03 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.76 3gak s VAL 102 CO 0.05 -0.04 -0.03 -0.32 -0.31 0.00 0.00 175.10 174.45 3gak s MET 103 N -0.23 3.60 -0.29 4.82 0.00 -0.80 -0.71 119.30 125.69 3gak s MET 103 Ca -0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 55.69 55.06 3gak s MET 103 Cb -0.02 -2.95 0.00 0.00 0.00 0.00 0.00 34.83 31.87 3gak s MET 103 CO -0.00 0.12 0.09 -1.50 0.00 0.00 0.00 175.02 173.72 3gak s ILE 104 N 0.68 4.06 -0.74 10.11 1.10 -0.65 0.86 121.20 136.63 3gak s ILE 104 Ca -0.02 -0.60 -0.10 0.00 -0.51 0.00 0.00 60.65 59.41 3gak s ILE 104 Cb -0.14 -3.07 0.19 0.00 0.15 0.00 0.00 42.46 39.59 3gak s ILE 104 CO 0.02 0.11 0.64 -0.62 -2.11 0.00 0.00 174.94 172.99 3gak s ASP 105 N 1.52 6.24 -0.14 4.50 2.15 0.06 -4.28 116.67 126.72 3gak s ASP 105 Ca 0.03 -2.69 0.15 0.00 0.43 0.00 0.00 52.55 50.48 3gak s ASP 105 Cb -0.17 -2.09 0.44 0.00 -0.30 0.00 0.00 42.92 40.80 3gak s ASP 105 CO 0.03 -0.52 1.34 0.00 -0.17 0.00 0.00 175.17 175.85 3gak n ALA 106 N 3.89 2.73 0.06 3.66 0.00 -1.26 -4.74 120.51 124.85 3gak n ALA 106 Ca 0.10 -2.11 0.04 0.00 0.00 0.00 0.00 53.44 51.48 3gak n ALA 106 Cb 0.44 -0.60 0.22 0.00 0.00 0.00 0.00 19.45 19.51 3gak n ALA 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gak n SER 107 N -0.45 0.21 -0.10 0.00 3.41 -1.26 -0.18 113.62 115.25 3gak n SER 107 Ca 0.18 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 3gak n SER 107 Cb 0.76 -0.63 0.46 0.00 -0.26 0.00 0.00 64.21 64.55 3gak n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gak n HIS 108 N -1.79 0.00 -2.99 7.33 1.44 -1.26 -4.67 115.22 113.28 3gak n HIS 108 Ca -0.01 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.44 3gak n HIS 108 Cb 0.01 -0.23 -0.01 0.00 0.12 0.00 0.00 29.99 29.88 3gak n HIS 108 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 3gak s HIS 109 N -2.69 3.52 0.57 -1.40 3.76 0.75 -5.07 115.29 114.73 3gak s HIS 109 Ca 0.21 0.67 -0.20 0.00 -0.15 0.00 0.00 55.06 55.59 3gak s HIS 109 Cb 0.19 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 3gak s HIS 109 CO 0.55 -0.07 1.29 -1.25 -0.85 0.00 0.00 174.74 174.42 3gak s PRO 110 N -4.33 3.02 0.03 8.40 0.04 -1.26 -4.62 135.00 136.27 3gak s PRO 110 Ca 0.45 2.07 -0.04 0.00 0.04 0.00 0.00 61.00 63.52 3gak s PRO 110 Cb -0.10 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3gak s PRO 110 CO 0.38 -1.23 0.23 0.34 0.04 0.00 0.00 177.00 176.77 3gak n PHE 111 N -1.30 -0.04 0.19 0.56 -0.00 -1.26 -1.23 117.46 114.38 3gak n PHE 111 Ca 0.12 0.19 0.05 0.00 -0.00 0.00 0.00 57.45 57.81 3gak n PHE 111 Cb 0.47 -0.53 0.37 0.00 -0.00 0.00 0.00 39.48 39.79 3gak n PHE 111 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3gak h ASP 112 N 0.00 0.00 0.00 -2.13 3.32 -1.98 0.48 116.42 116.11 3gak h ASP 112 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3gak h ASP 112 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3gak h ASP 112 CO -0.15 0.37 -0.06 -0.08 -1.72 0.00 0.00 179.24 177.60 3gak h GLU 113 N 0.00 0.00 -0.52 3.56 4.57 -1.52 -2.78 114.58 117.89 3gak h GLU 113 Ca -0.00 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 3gak h GLU 113 Cb 0.79 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.31 3gak h GLU 113 CO 0.05 0.94 0.12 -0.97 -1.18 0.00 0.00 179.01 177.97 3gak h ASN 114 N -1.00 0.03 -0.93 1.04 -0.73 -1.33 0.04 115.58 112.70 3gak h ASN 114 Ca -0.02 0.09 0.13 0.00 1.87 0.00 0.00 56.30 58.37 3gak h ASN 114 Cb 0.96 0.12 -0.07 0.00 0.27 0.00 0.00 38.32 39.59 3gak h ASN 114 CO -0.01 0.04 0.59 0.58 -0.37 0.00 0.00 177.43 178.26 3gak h VAL 115 N 0.26 0.88 0.08 2.57 2.07 -0.09 -2.03 116.25 119.99 3gak h VAL 115 Ca 0.26 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 3gak h VAL 115 Cb 0.35 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3gak h VAL 115 CO -0.33 0.15 -0.45 -0.09 0.02 0.00 0.00 177.57 176.87 3gak h ARG 116 N 0.83 0.17 -0.18 1.57 2.43 -0.75 -2.10 114.38 116.34 3gak h ARG 116 Ca 0.46 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 3gak h ARG 116 Cb 0.59 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 3gak h ARG 116 CO -0.22 1.14 -0.19 0.82 -1.51 0.00 0.00 179.97 180.00 3gak h ILE 117 N -0.65 0.50 -0.10 1.20 2.04 -1.18 -1.57 117.51 117.76 3gak h ILE 117 Ca -0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.82 3gak h ILE 117 Cb 1.36 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3gak h ILE 117 CO 0.09 0.00 -0.16 0.74 0.00 0.00 0.00 178.15 178.82 3gak h THR 118 N -0.22 0.58 -0.66 -0.27 2.02 -1.39 -1.39 112.91 111.58 3gak h THR 118 Ca 0.12 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.44 3gak h THR 118 Cb 0.39 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3gak h THR 118 CO -0.31 0.00 0.45 0.50 0.37 0.00 0.00 175.52 176.53 3gak h LYS 119 N -0.21 0.29 -0.05 6.66 3.64 -0.96 0.28 116.57 126.21 3gak h LYS 119 Ca 0.08 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 3gak h LYS 119 Cb 0.34 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3gak h LYS 119 CO -0.23 0.19 -0.83 1.49 -2.27 0.00 0.00 179.45 177.80 3gak h GLU 120 N 0.29 0.44 -0.02 1.90 4.81 -0.27 -1.73 114.58 120.00 3gak h GLU 120 Ca 0.32 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3gak h GLU 120 Cb 0.84 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 3gak h GLU 120 CO -0.08 1.05 -0.03 0.28 -0.73 0.00 0.00 179.01 179.50 3gak h VAL 121 N 0.27 1.42 -0.74 0.32 2.07 -0.54 -2.97 116.25 116.08 3gak h VAL 121 Ca -0.05 -1.29 0.14 0.00 0.82 0.00 0.00 66.70 66.32 3gak h VAL 121 Cb 1.44 2.25 -0.10 0.00 -1.52 0.00 0.00 31.29 33.36 3gak h VAL 121 CO 0.15 0.34 0.27 0.58 0.02 0.00 0.00 177.57 178.93 3gak h VAL 122 N -0.46 0.63 -0.16 2.57 2.07 -0.52 -1.12 116.25 119.27 3gak h VAL 122 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3gak h VAL 122 Cb 0.58 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3gak h VAL 122 CO 0.01 0.07 0.08 0.00 0.02 0.00 0.00 177.57 177.75 3gak h ALA 123 N 1.55 0.20 0.17 1.67 0.00 -1.21 -2.30 119.26 119.34 3gak h ALA 123 Ca 0.41 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.25 3gak h ALA 123 Cb 0.63 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3gak h ALA 123 CO -0.42 -0.24 -0.49 -0.92 0.00 0.00 0.00 179.25 177.18 3gak h TYR 124 N 0.13 -1.41 0.45 0.00 3.20 -1.34 -3.14 116.97 114.85 3gak h TYR 124 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3gak h TYR 124 Cb 0.12 0.59 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3gak h TYR 124 CO -0.03 -0.57 -0.21 0.00 -1.64 0.00 0.00 178.16 175.71 3gak h ALA 125 N -0.67 -0.60 -0.75 1.82 0.00 -0.81 -2.50 119.26 115.74 3gak h ALA 125 Ca -0.01 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.86 3gak h ALA 125 Cb 0.72 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3gak h ALA 125 CO -0.24 -0.72 0.50 0.45 0.00 0.00 0.00 179.25 179.25 3gak h HIS 126 N -0.84 0.48 -0.61 0.00 3.86 -1.23 0.75 115.15 117.56 3gak h HIS 126 Ca -0.06 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.28 3gak h HIS 126 Cb 0.56 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 3gak h HIS 126 CO 0.00 0.19 0.42 0.00 0.86 0.00 0.00 177.93 179.39 3gak h ALA 127 N 1.65 2.13 -0.02 2.45 0.00 -1.40 -1.82 119.26 122.25 3gak h ALA 127 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3gak h ALA 127 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gak h ALA 127 CO -0.12 -0.28 -0.33 0.54 0.00 0.00 0.00 179.25 179.05 3gak n ARG 128 N -4.46 1.32 0.00 0.00 1.74 0.24 -4.94 116.66 110.57 3gak n ARG 128 Ca 0.11 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.17 3gak n ARG 128 Cb 0.45 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3gak n ARG 128 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gak n GLY 129 N 1.38 1.70 3.76 -0.13 0.00 -0.13 -4.53 105.19 107.24 3gak n GLY 129 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3gak n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gak s VAL 130 N -2.34 2.77 0.56 1.61 1.01 -0.70 -4.70 120.40 118.62 3gak s VAL 130 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 3gak s VAL 130 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3gak s VAL 130 CO 0.00 0.16 0.85 -0.44 0.00 0.00 0.00 175.10 175.67 3gak s SER 131 N -0.32 5.58 -0.03 3.32 0.01 -1.21 -2.75 113.70 118.30 3gak s SER 131 Ca 0.51 0.55 -0.00 0.00 1.31 0.00 0.00 55.95 58.32 3gak s SER 131 Cb -0.40 -1.57 0.03 0.00 0.21 0.00 0.00 66.02 64.29 3gak s SER 131 CO 0.50 -1.02 0.02 -0.69 0.41 0.00 0.00 173.24 172.46 3gak s VAL 132 N -2.89 0.05 -0.11 3.43 1.01 -1.26 -1.04 120.40 119.60 3gak s VAL 132 Ca 0.53 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 3gak s VAL 132 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3gak s VAL 132 CO 0.43 0.13 0.04 -0.70 0.00 0.00 0.00 175.10 175.00 3gak s GLU 133 N 1.24 3.22 0.34 2.72 2.12 0.11 -0.04 118.70 128.41 3gak s GLU 133 Ca -0.07 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 54.97 3gak s GLU 133 Cb -0.13 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 3gak s GLU 133 CO -0.03 0.66 0.18 0.00 -0.54 0.00 0.00 175.26 175.53 3gak s ALA 134 N -0.75 2.21 -0.00 6.30 0.00 -0.46 -1.63 121.76 127.43 3gak s ALA 134 Ca 0.12 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.41 3gak s ALA 134 Cb -0.12 1.11 -0.00 0.00 0.00 0.00 0.00 23.12 24.11 3gak s ALA 134 CO 0.02 -0.49 -0.04 -2.00 0.00 0.00 0.00 175.76 173.25 3gak s GLU 135 N -3.71 0.35 0.05 0.00 2.12 -1.26 0.56 118.70 116.82 3gak s GLU 135 Ca 0.33 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.57 3gak s GLU 135 Cb 0.04 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.06 3gak s GLU 135 CO 0.19 0.09 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.67 3gak s LEU 136 N -0.08 2.21 0.00 2.70 2.96 -0.97 -4.19 118.68 121.31 3gak s LEU 136 Ca 0.01 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.39 3gak s LEU 136 Cb -0.02 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 46.00 3gak s LEU 136 CO -0.00 0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 3gak n GLY 137 N 1.65 -1.57 3.15 7.98 0.00 -1.26 -4.08 105.19 111.06 3gak n GLY 137 Ca -0.19 -1.66 0.04 0.00 0.00 0.00 0.00 46.02 44.22 3gak n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gak s THR 153 N 0.00 -0.81 -0.02 2.61 2.01 -1.26 -4.84 115.64 113.33 3gak s THR 153 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 3gak s THR 153 Cb 0.00 -0.84 -0.06 0.00 0.01 0.00 0.00 72.50 71.61 3gak s THR 153 CO 0.00 0.00 1.52 -0.70 -0.69 0.00 0.00 174.62 174.75 3gak s GLU 154 N 2.87 4.23 0.24 4.92 2.56 -1.26 -4.92 118.70 127.34 3gak s GLU 154 Ca 0.15 2.08 -0.07 0.00 0.00 0.00 0.00 54.97 57.12 3gak s GLU 154 Cb -0.09 -3.73 0.41 0.00 2.00 0.00 0.00 34.13 32.72 3gak s GLU 154 CO -0.24 -0.71 1.66 -1.35 -0.56 0.00 0.00 175.26 174.06 3gak h PRO 155 N 8.51 0.15 0.31 4.30 0.11 -1.97 -1.72 132.00 141.69 3gak h PRO 155 Ca -0.38 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3gak h PRO 155 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gak h PRO 155 CO 0.93 0.10 -0.15 1.96 -0.21 0.00 0.00 178.00 180.63 3gak h GLN 156 N 0.15 -0.40 -0.75 1.05 1.08 -1.97 -1.24 115.11 113.03 3gak h GLN 156 Ca 0.39 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.72 3gak h GLN 156 Cb 0.67 0.09 -0.11 0.00 -0.05 0.00 0.00 27.48 28.07 3gak h GLN 156 CO -0.58 -0.25 -0.33 -0.25 -0.95 0.00 0.00 178.83 176.47 3gak n ASP 157 N -5.26 -0.57 0.08 1.46 9.92 -0.90 0.36 116.55 121.65 3gak n ASP 157 Ca -0.10 1.31 -0.13 0.00 -0.53 0.00 0.00 54.79 55.34 3gak n ASP 157 Cb 0.19 -0.27 -0.08 0.00 -0.64 0.00 0.00 41.12 40.32 3gak n ASP 157 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gak h ALA 158 N 0.86 -0.90 -0.83 2.24 0.00 -0.59 0.39 119.26 120.43 3gak h ALA 158 Ca 0.22 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.26 3gak h ALA 158 Cb 0.41 0.83 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 3gak h ALA 158 CO -0.73 -1.02 0.13 -0.22 0.00 0.00 0.00 179.25 177.41 3gak h LYS 159 N -0.59 0.15 0.47 0.00 3.64 0.40 0.62 116.57 121.26 3gak h LYS 159 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3gak h LYS 159 Cb 0.61 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3gak h LYS 159 CO -0.25 0.10 -0.22 0.87 -2.27 0.00 0.00 179.45 177.68 3gak h LYS 160 N 0.16 -0.60 -0.64 1.90 6.56 0.46 -0.93 116.57 123.48 3gak h LYS 160 Ca 0.50 0.04 0.12 0.00 -1.06 0.00 0.00 60.65 60.25 3gak h LYS 160 Cb 0.95 0.14 -0.12 0.00 -0.57 0.00 0.00 32.23 32.63 3gak h LYS 160 CO -0.67 -0.30 -0.23 0.35 -2.06 0.00 0.00 179.45 176.54 3gak h PHE 161 N -0.87 -0.56 0.32 -1.35 3.57 0.25 0.32 116.94 118.63 3gak h PHE 161 Ca -0.06 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3gak h PHE 161 Cb 0.58 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3gak h PHE 161 CO 0.00 -0.33 -0.16 0.28 -2.23 0.00 0.00 178.31 175.88 3gak h VAL 162 N -0.06 0.52 -0.69 1.41 2.07 0.13 -2.49 116.25 117.14 3gak h VAL 162 Ca 0.29 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.22 3gak h VAL 162 Cb 0.52 0.82 -0.13 0.00 -1.52 0.00 0.00 31.29 30.98 3gak h VAL 162 CO -0.69 0.11 -0.08 -0.33 0.02 0.00 0.00 177.57 176.60 3gak h GLU 163 N -0.93 0.05 0.00 1.57 5.08 -0.75 0.56 114.58 120.16 3gak h GLU 163 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3gak h GLU 163 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3gak h GLU 163 CO 0.07 0.03 0.00 1.28 -1.00 0.00 0.00 179.01 179.40 3gak n LEU 164 N -5.39 0.00 0.00 1.33 4.77 0.11 -4.23 117.00 113.58 3gak n LEU 164 Ca 0.10 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3gak n LEU 164 Cb 0.39 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3gak n LEU 164 CO 0.05 -0.09 -0.06 0.35 -1.33 0.00 0.00 177.39 176.30 3gak n THR 165 N -1.18 0.00 -0.99 -5.08 -2.24 0.59 -4.89 114.28 100.49 3gak n THR 165 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3gak n THR 165 Cb 0.09 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3gak n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gak n GLY 166 N 0.77 0.42 3.22 3.38 0.00 0.16 -4.82 105.19 108.32 3gak n GLY 166 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3gak n GLY 166 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gak n VAL 167 N -2.70 0.39 1.00 1.61 0.24 -1.26 -4.94 118.33 112.67 3gak n VAL 167 Ca 0.00 -0.44 0.12 0.00 -2.04 0.00 0.00 64.34 61.98 3gak n VAL 167 Cb 0.11 -0.24 0.22 0.00 -1.47 0.00 0.00 33.84 32.45 3gak n VAL 167 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3gak n ASP 168 N 1.81 0.55 -3.54 -1.34 9.92 0.94 -4.97 116.55 119.93 3gak n ASP 168 Ca 0.04 -0.33 -0.10 0.00 -0.53 0.00 0.00 54.79 53.88 3gak n ASP 168 Cb 0.52 0.32 -0.04 0.00 -0.64 0.00 0.00 41.12 41.28 3gak n ASP 168 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gak s ALA 169 N -2.99 -1.87 -0.23 2.24 0.00 -1.13 -4.24 121.76 113.54 3gak s ALA 169 Ca 0.11 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3gak s ALA 169 Cb 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3gak s ALA 169 CO 0.71 -0.50 -0.11 -1.17 0.00 0.00 0.00 175.76 174.70 3gak s LEU 170 N -1.78 2.94 -0.29 0.00 2.96 -0.57 -1.35 118.68 120.59 3gak s LEU 170 Ca 0.01 -0.92 -0.28 0.00 -0.22 0.00 0.00 54.13 52.72 3gak s LEU 170 Cb -0.01 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3gak s LEU 170 CO -0.03 -0.10 1.88 0.00 -1.32 0.00 0.00 176.35 176.78 3gak s ALA 171 N 1.27 2.88 0.27 5.97 0.00 0.19 0.87 121.76 133.21 3gak s ALA 171 Ca -0.00 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.42 3gak s ALA 171 Cb -0.16 -4.01 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 3gak s ALA 171 CO -0.07 -2.59 0.40 0.14 0.00 0.00 0.00 175.76 173.63 3gak s VAL 172 N 7.03 5.00 -0.39 0.00 -7.23 -0.79 -2.30 120.40 121.73 3gak s VAL 172 Ca 0.84 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.98 3gak s VAL 172 Cb -0.25 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 32.98 3gak s VAL 172 CO 0.34 -0.31 0.21 0.00 -0.31 0.00 0.00 175.10 175.02 3gak s ALA 173 N -2.05 3.21 -0.29 1.32 0.00 -1.26 -4.68 121.76 118.01 3gak s ALA 173 Ca 0.37 -2.00 0.08 0.00 0.00 0.00 0.00 51.96 50.40 3gak s ALA 173 Cb -0.09 -2.52 0.46 0.00 0.00 0.00 0.00 23.12 20.97 3gak s ALA 173 CO 0.30 -1.54 1.18 0.44 0.00 0.00 0.00 175.76 176.14 3gak n ILE 174 N 4.88 2.43 -3.21 0.00 -0.00 -1.26 -4.73 119.36 117.47 3gak n ILE 174 Ca -0.10 -4.15 -0.15 0.00 -0.00 0.00 0.00 62.75 58.34 3gak n ILE 174 Cb 0.44 -0.97 0.07 0.00 -0.00 0.00 0.00 39.64 39.18 3gak n ILE 174 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3gak n GLY 175 N -0.69 -0.23 4.03 3.28 0.00 -1.26 -3.97 105.19 106.35 3gak n GLY 175 Ca 0.41 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 3gak n GLY 175 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gak s THR 176 N -3.30 2.26 -0.05 2.61 -4.23 -1.26 -4.80 115.64 106.88 3gak s THR 176 Ca 0.04 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.31 3gak s THR 176 Cb -0.02 -2.31 0.11 0.00 1.34 0.00 0.00 72.50 71.61 3gak s THR 176 CO 0.61 0.00 0.90 -0.94 -0.54 0.00 0.00 174.62 174.64 3gak s SER 177 N -4.63 -0.39 0.62 3.99 1.04 -1.26 -4.95 113.70 108.12 3gak s SER 177 Ca 0.61 0.17 -0.19 0.00 0.48 0.00 0.00 55.95 57.02 3gak s SER 177 Cb -0.06 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 3gak s SER 177 CO 0.39 -0.55 1.30 -1.00 0.98 0.00 0.00 173.24 174.36 3gak s HIS 178 N -2.42 2.14 0.00 5.02 3.76 -1.26 -4.76 115.29 117.77 3gak s HIS 178 Ca 0.02 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 3gak s HIS 178 Cb -0.01 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 29.98 3gak s HIS 178 CO -0.05 -2.87 0.00 0.41 -0.85 0.00 0.00 174.74 171.39 3gak n GLY 179 N 0.83 -0.61 0.00 -2.22 0.00 -1.26 -4.57 105.19 97.37 3gak n GLY 179 Ca 0.15 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.51 3gak n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gak n ALA 180 N -0.50 1.84 -3.67 4.61 0.00 -1.26 -4.49 120.51 117.04 3gak n ALA 180 Ca 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 3gak n ALA 180 Cb 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 3gak n ALA 180 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gak n TYR 181 N -1.24 1.50 -0.10 0.00 4.01 -1.26 -2.69 117.16 117.37 3gak n TYR 181 Ca 0.07 -3.89 -0.12 0.00 -0.16 0.00 0.00 57.90 53.81 3gak n TYR 181 Cb 0.10 -0.25 -0.13 0.00 -0.31 0.00 0.00 39.34 38.75 3gak n TYR 181 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3gak n LYS 182 N 2.29 0.86 -3.90 -0.72 5.02 -1.26 -4.96 118.16 115.48 3gak n LYS 182 Ca 0.24 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.48 3gak n LYS 182 Cb 0.41 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 3gak n LYS 182 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3gak s PHE 183 N -2.44 0.08 0.38 2.13 0.08 -1.26 -4.87 117.98 112.07 3gak s PHE 183 Ca -0.18 -0.16 0.10 0.00 0.12 0.00 0.00 56.93 56.80 3gak s PHE 183 Cb 0.06 -0.06 0.85 0.00 -0.57 0.00 0.00 43.02 43.30 3gak s PHE 183 CO 0.64 -0.09 1.91 0.87 -0.10 0.00 0.00 175.22 178.46 3gak h LYS 184 N 5.51 0.62 -4.25 0.44 1.57 -2.01 -3.41 116.57 115.04 3gak h LYS 184 Ca -0.27 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.19 3gak h LYS 184 Cb 1.21 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.28 3gak h LYS 184 CO 0.46 0.41 -0.28 -1.54 -0.57 0.00 0.00 179.45 177.93 3gak s SER 185 N -5.96 0.82 -0.37 0.86 1.04 -1.26 -4.97 113.70 103.87 3gak s SER 185 Ca -0.09 -1.45 -0.10 0.00 0.48 0.00 0.00 55.95 54.79 3gak s SER 185 Cb 0.21 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.96 3gak s SER 185 CO 0.78 -1.18 0.18 -1.83 0.98 0.00 0.00 173.24 172.17 3gak s GLU 186 N -3.38 2.79 0.00 4.02 -1.05 -1.26 -4.97 118.70 114.85 3gak s GLU 186 Ca 0.32 -1.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 3gak s GLU 186 Cb 0.01 -3.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.03 3gak s GLU 186 CO 0.19 -0.69 0.00 -0.11 0.95 0.00 0.00 175.26 175.60 3gak n LEU 191 N 4.96 0.00 -3.96 1.83 7.94 -1.26 -5.17 117.00 121.33 3gak n LEU 191 Ca -0.12 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.48 3gak n LEU 191 Cb 0.46 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.29 3gak n LEU 191 CO 0.35 0.00 -0.03 0.00 -1.11 0.00 0.00 177.39 176.61 3gak s ALA 192 N -2.01 3.70 0.15 1.96 0.00 -1.25 -4.84 121.76 119.46 3gak s ALA 192 Ca 0.00 -3.62 0.04 0.00 0.00 0.00 0.00 51.96 48.38 3gak s ALA 192 Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 3gak s ALA 192 CO 0.00 -2.08 1.34 0.82 0.00 0.00 0.00 175.76 175.83 3gak h ILE 193 N 4.77 1.58 -1.37 0.00 5.03 -1.98 -2.96 117.51 122.58 3gak h ILE 193 Ca 0.06 -2.95 0.40 0.00 -0.12 0.00 0.00 64.86 62.25 3gak h ILE 193 Cb 0.82 2.65 -0.06 0.00 -3.03 0.00 0.00 36.82 37.20 3gak h ILE 193 CO 0.73 0.85 0.98 -2.24 -0.68 0.00 0.00 178.15 177.78 3gak h ASP 194 N 0.05 0.02 0.59 1.72 3.04 -2.00 -0.13 116.42 119.70 3gak h ASP 194 Ca -0.04 0.01 -0.19 0.00 -3.24 0.00 0.00 57.03 53.56 3gak h ASP 194 Cb 1.62 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.88 3gak h ASP 194 CO 0.13 -0.00 -1.56 0.54 -2.04 0.00 0.00 179.24 176.32 3gak n ARG 195 N -4.15 0.63 -0.12 4.15 1.74 -1.12 -4.35 116.66 113.45 3gak n ARG 195 Ca 0.30 0.20 -0.09 0.00 -0.77 0.00 0.00 57.85 57.49 3gak n ARG 195 Cb 1.42 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 31.08 3gak n ARG 195 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gak h VAL 196 N 0.00 1.15 0.87 1.55 2.07 -1.07 -2.40 116.25 118.42 3gak h VAL 196 Ca -0.20 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 3gak h VAL 196 Cb 1.67 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3gak h VAL 196 CO 0.05 0.16 -0.42 0.50 0.02 0.00 0.00 177.57 177.88 3gak h LYS 197 N 0.46 -1.12 -0.28 1.57 1.63 -1.53 0.21 116.57 117.51 3gak h LYS 197 Ca 0.13 0.08 0.06 0.00 -0.85 0.00 0.00 60.65 60.07 3gak h LYS 197 Cb 0.08 0.26 -0.08 0.00 -0.60 0.00 0.00 32.23 31.89 3gak h LYS 197 CO -0.02 -0.75 -0.32 1.15 -3.45 0.00 0.00 179.45 176.06 3gak h THR 198 N -1.17 0.26 -0.34 1.00 2.02 -1.76 0.85 112.91 113.78 3gak h THR 198 Ca -0.12 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.13 3gak h THR 198 Cb 0.89 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 3gak h THR 198 CO 0.20 0.00 -0.32 0.40 0.37 0.00 0.00 175.52 176.16 3gak h ILE 199 N -0.31 0.25 -0.38 3.11 2.04 -1.29 0.37 117.51 121.30 3gak h ILE 199 Ca 0.14 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 3gak h ILE 199 Cb 0.53 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 36.77 3gak h ILE 199 CO -0.45 0.00 -0.42 -1.28 0.00 0.00 0.00 178.15 176.00 3gak h SER 200 N -0.28 -1.37 0.74 1.72 0.87 0.11 -2.79 113.55 112.54 3gak h SER 200 Ca 0.16 0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 3gak h SER 200 Cb 0.54 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 3gak h SER 200 CO -0.50 -0.37 -0.41 0.44 -0.53 0.00 0.00 176.83 175.47 3gak h ASP 201 N -0.33 -1.00 0.06 6.23 5.19 0.42 -0.30 116.42 126.69 3gak h ASP 201 Ca 0.14 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3gak h ASP 201 Cb 0.58 0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.37 3gak h ASP 201 CO -0.55 -0.66 0.00 0.18 -3.12 0.00 0.00 179.24 175.09 3gak n LEU 202 N -5.56 0.00 0.00 1.55 4.32 0.92 -3.24 117.00 114.99 3gak n LEU 202 Ca -0.14 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 3gak n LEU 202 Cb 0.44 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3gak n LEU 202 CO 0.37 -0.07 -0.49 0.35 -1.22 0.00 0.00 177.39 176.33 3gak n THR 203 N -1.10 0.00 -0.98 -5.08 -2.24 -1.06 -4.69 114.28 99.14 3gak n THR 203 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3gak n THR 203 Cb 0.05 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 3gak n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gak n GLY 204 N 3.21 0.95 3.72 3.38 0.00 -0.15 -5.01 105.19 111.30 3gak n GLY 204 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3gak n GLY 204 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gak s ILE 205 N -3.85 3.75 0.43 -0.61 -4.36 -1.26 -5.09 121.20 110.21 3gak s ILE 205 Ca 0.00 -1.69 -0.24 0.00 -0.26 0.00 0.00 60.65 58.46 3gak s ILE 205 Cb 0.00 -3.06 -0.08 0.00 1.25 0.00 0.00 42.46 40.57 3gak s ILE 205 CO 0.00 -0.34 1.17 -2.84 0.24 0.00 0.00 174.94 173.17 3gak s PRO 206 N -3.76 3.90 0.37 0.37 0.02 -1.26 -4.82 135.00 129.83 3gak s PRO 206 Ca 0.33 1.80 0.07 0.00 0.02 0.00 0.00 61.00 63.23 3gak s PRO 206 Cb -0.06 -2.54 -0.01 0.00 0.02 0.00 0.00 34.50 31.91 3gak s PRO 206 CO 0.22 -0.44 0.44 -0.51 -0.33 0.00 0.00 177.00 176.39 3gak s LEU 207 N -2.77 3.71 -0.00 -5.54 1.43 -1.26 -1.51 118.68 112.74 3gak s LEU 207 Ca 0.60 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3gak s LEU 207 Cb -0.29 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3gak s LEU 207 CO 0.36 -0.54 -0.00 -0.69 0.23 0.00 0.00 176.35 175.71 3gak s VAL 208 N -2.30 0.04 -0.52 -1.59 1.01 0.25 -1.36 120.40 115.93 3gak s VAL 208 Ca 0.47 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 3gak s VAL 208 Cb -0.08 -0.06 0.14 0.00 0.00 0.00 0.00 36.38 36.38 3gak s VAL 208 CO 0.30 0.03 0.37 -0.04 0.00 0.00 0.00 175.10 175.76 3gak s MET 209 N 0.15 2.47 0.71 2.72 -1.94 -0.71 -1.89 119.30 120.81 3gak s MET 209 Ca -0.01 -2.03 -0.11 0.00 -1.71 0.00 0.00 55.69 51.83 3gak s MET 209 Cb -0.02 -3.84 0.02 0.00 2.01 0.00 0.00 34.83 33.00 3gak s MET 209 CO -0.00 -1.17 1.07 -1.01 -0.01 0.00 0.00 175.02 173.89 3gak s HIS 210 N 0.86 3.09 -0.22 -0.03 3.76 -1.26 -1.90 115.29 119.57 3gak s HIS 210 Ca 0.10 1.37 -0.00 0.00 -0.15 0.00 0.00 55.06 56.37 3gak s HIS 210 Cb -0.23 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.55 3gak s HIS 210 CO -0.03 -1.30 0.06 0.41 -0.85 0.00 0.00 174.74 173.03 3gak n GLY 211 N -2.04 0.43 1.71 -2.22 0.00 -1.26 -4.70 105.19 97.11 3gak n GLY 211 Ca 0.07 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 3gak n GLY 211 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gak n SER 212 N 1.24 4.41 -4.77 1.61 7.64 -1.05 -3.99 113.62 118.72 3gak n SER 212 Ca -0.02 -3.79 -0.31 0.00 1.01 0.00 0.00 58.87 55.77 3gak n SER 212 Cb 0.52 -0.56 0.10 0.00 -1.01 0.00 0.00 64.21 63.25 3gak n SER 212 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gak s SER 213 N -2.92 4.35 -0.00 6.43 0.01 -1.26 -4.77 113.70 115.54 3gak s SER 213 Ca 0.51 1.66 0.03 0.00 1.31 0.00 0.00 55.95 59.45 3gak s SER 213 Cb 0.42 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 3gak s SER 213 CO 0.01 -2.11 0.10 -1.20 0.41 0.00 0.00 173.24 170.45 3gak n SER 214 N -3.56 1.20 -3.82 2.44 7.64 -1.26 -0.90 113.62 115.36 3gak n SER 214 Ca 0.08 -0.42 -0.24 0.00 1.01 0.00 0.00 58.87 59.30 3gak n SER 214 Cb 0.54 1.03 0.01 0.00 -1.01 0.00 0.00 64.21 64.78 3gak n SER 214 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3gak n VAL 215 N -1.20 -1.41 -1.05 0.44 0.31 -1.26 -3.82 118.33 110.35 3gak n VAL 215 Ca 0.00 -0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 63.72 3gak n VAL 215 Cb 0.05 -1.21 0.02 0.00 -0.91 0.00 0.00 33.84 31.79 3gak n VAL 215 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3gak n PRO 216 N -2.93 0.00 0.01 5.55 -0.02 -1.26 -4.70 135.00 131.65 3gak n PRO 216 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3gak n PRO 216 Cb 0.30 -0.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.78 3gak n PRO 216 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gak n LYS 217 N 1.67 0.64 -0.03 -0.52 4.81 -1.26 -2.09 118.16 121.36 3gak n LYS 217 Ca 0.04 0.13 -0.14 0.00 -0.87 0.00 0.00 58.31 57.46 3gak n LYS 217 Cb 0.45 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.68 3gak n LYS 217 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 3gak h ASP 218 N 0.00 0.28 -0.68 3.14 -0.00 -2.00 -2.65 116.42 114.51 3gak h ASP 218 Ca -0.20 -0.62 0.08 0.00 -0.00 0.00 0.00 57.03 56.29 3gak h ASP 218 Cb 1.59 -0.08 -0.11 0.00 -0.00 0.00 0.00 39.33 40.74 3gak h ASP 218 CO 0.04 0.86 -0.53 0.58 -0.00 0.00 0.00 179.24 180.19 3gak h VAL 219 N -0.28 0.02 0.85 4.15 2.07 -1.88 -2.87 116.25 118.32 3gak h VAL 219 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3gak h VAL 219 Cb 0.84 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3gak h VAL 219 CO 0.04 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.72 3gak h LYS 220 N -0.21 -1.10 -1.05 1.57 3.64 -1.46 -2.83 116.57 115.13 3gak h LYS 220 Ca 0.14 0.08 0.27 0.00 -1.27 0.00 0.00 60.65 59.87 3gak h LYS 220 Cb 0.53 0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.51 3gak h LYS 220 CO -0.75 -0.73 0.68 -0.44 -2.27 0.00 0.00 179.45 175.93 3gak h ASP 221 N -1.29 0.41 -0.19 4.20 3.32 -1.50 -0.73 116.42 120.65 3gak h ASP 221 Ca -0.12 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3gak h ASP 221 Cb 0.88 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 3gak h ASP 221 CO 0.19 0.08 -0.28 -0.03 -1.72 0.00 0.00 179.24 177.48 3gak h MET 222 N 0.36 0.53 -0.56 3.56 4.05 -1.39 0.30 114.93 121.78 3gak h MET 222 Ca 0.59 -0.31 0.02 0.00 -0.28 0.00 0.00 59.70 59.72 3gak h MET 222 Cb 1.56 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 32.36 3gak h MET 222 CO -0.28 0.91 0.35 0.82 0.23 0.00 0.00 176.91 178.94 3gak h ILE 223 N 0.19 1.09 -0.26 1.77 2.04 -1.07 -3.12 117.51 118.15 3gak h ILE 223 Ca 0.02 -0.24 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 3gak h ILE 223 Cb 0.85 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3gak h ILE 223 CO 0.06 0.13 -0.55 0.78 0.00 0.00 0.00 178.15 178.57 3gak h ASN 224 N 0.71 0.88 0.79 1.72 2.35 -0.92 -2.37 115.58 118.74 3gak h ASN 224 Ca 0.22 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3gak h ASN 224 Cb -0.02 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.10 3gak h ASN 224 CO -0.08 1.25 0.00 1.17 -1.65 0.00 0.00 177.43 178.12 3gak n LYS 225 N -3.99 0.04 -1.19 0.81 4.81 0.07 -4.04 118.16 114.67 3gak n LYS 225 Ca -0.04 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 3gak n LYS 225 Cb 0.62 -1.57 0.14 0.00 0.02 0.00 0.00 35.03 34.24 3gak n LYS 225 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gak n TYR 226 N -1.65 1.70 0.00 5.64 4.01 -1.13 -4.91 117.16 120.84 3gak n TYR 226 Ca 0.05 -1.95 0.00 0.00 -0.16 0.00 0.00 57.90 55.84 3gak n TYR 226 Cb 0.26 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 3gak n TYR 226 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gak n GLY 227 N -0.99 0.37 3.92 2.72 0.00 -1.26 -4.76 105.19 105.20 3gak n GLY 227 Ca 0.39 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 3gak n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gak s GLY 228 N -2.06 1.59 -0.37 -0.02 0.00 -0.91 -5.06 107.32 100.50 3gak s GLY 228 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3gak s GLY 228 CO 0.00 -0.45 0.21 1.25 0.00 0.00 0.00 173.10 174.11 3gak s LYS 229 N -4.93 0.71 -0.36 2.90 2.20 -1.26 -4.44 119.74 114.56 3gak s LYS 229 Ca 0.53 -1.44 0.13 0.00 -0.36 0.00 0.00 55.97 54.83 3gak s LYS 229 Cb -0.10 -1.55 0.39 0.00 -1.51 0.00 0.00 37.83 35.05 3gak s LYS 229 CO 0.45 -1.18 0.88 -1.33 -0.36 0.00 0.00 175.35 173.80 3gak n MET 230 N 4.01 1.05 0.00 4.03 0.00 -1.26 -4.98 117.12 119.97 3gak n MET 230 Ca 0.10 -3.11 0.04 0.00 0.00 0.00 0.00 57.70 54.73 3gak n MET 230 Cb 0.37 -1.38 0.24 0.00 0.00 0.00 0.00 33.22 32.45 3gak n MET 230 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3gak n PRO 231 N 0.11 0.24 0.00 0.03 -0.04 -1.26 -3.79 135.00 130.29 3gak n PRO 231 Ca 0.16 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3gak n PRO 231 Cb 0.73 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3gak n PRO 231 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gak n ASP 232 N -1.05 0.00 -3.96 3.54 10.43 -1.26 -5.04 116.55 119.21 3gak n ASP 232 Ca 0.06 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.11 3gak n ASP 232 Cb 0.04 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 42.99 3gak n ASP 232 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gak n ALA 233 N -3.00 -2.22 -0.61 2.24 0.00 -1.25 -5.01 120.51 110.66 3gak n ALA 233 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 3gak n ALA 233 Cb 0.00 -2.17 0.20 0.00 0.00 0.00 0.00 19.45 17.48 3gak n ALA 233 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gak n VAL 234 N -4.47 0.00 -3.87 0.00 0.31 -1.10 -4.79 118.33 104.42 3gak n VAL 234 Ca -0.24 -0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 63.76 3gak n VAL 234 Cb 0.65 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.66 3gak n VAL 234 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gak n GLY 235 N 0.96 2.56 3.70 2.92 0.00 -1.25 -4.23 105.19 109.86 3gak n GLY 235 Ca 0.06 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 3gak n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gak s VAL 236 N -2.66 4.99 0.18 1.61 1.01 -0.08 -4.92 120.40 120.53 3gak s VAL 236 Ca 0.17 1.54 -0.22 0.00 0.00 0.00 0.00 61.98 63.47 3gak s VAL 236 Cb -0.01 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 3gak s VAL 236 CO 0.13 0.18 0.72 -2.16 0.00 0.00 0.00 175.10 173.97 3gak s PRO 237 N 1.20 4.37 0.27 2.72 0.04 -1.26 -4.06 135.00 138.27 3gak s PRO 237 Ca 0.39 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 3gak s PRO 237 Cb -0.18 -3.07 0.57 0.00 0.04 0.00 0.00 34.50 31.86 3gak s PRO 237 CO 0.17 0.50 1.63 0.97 0.04 0.00 0.00 177.00 180.31 3gak h ILE 238 N 3.07 0.27 -0.91 0.56 6.09 -1.95 -0.42 117.51 124.22 3gak h ILE 238 Ca -0.48 -0.04 0.25 0.00 -1.37 0.00 0.00 64.86 63.23 3gak h ILE 238 Cb 1.20 0.15 -0.14 0.00 0.47 0.00 0.00 36.82 38.50 3gak h ILE 238 CO 0.65 0.02 0.34 -0.33 -3.07 0.00 0.00 178.15 175.76 3gak h GLU 239 N 0.12 0.26 -0.80 2.19 3.07 -1.99 1.02 114.58 118.44 3gak h GLU 239 Ca 0.48 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.35 3gak h GLU 239 Cb 0.92 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.72 3gak h GLU 239 CO -0.71 0.17 0.52 0.77 -1.40 0.00 0.00 179.01 178.36 3gak h SER 240 N 0.27 0.87 -0.40 1.42 0.02 -1.45 -1.05 113.55 113.23 3gak h SER 240 Ca 0.60 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.46 3gak h SER 240 Cb 1.24 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3gak h SER 240 CO -0.63 0.61 -0.06 0.40 -1.14 0.00 0.00 176.83 176.01 3gak h ILE 241 N 1.03 1.27 -0.34 3.27 5.03 0.93 -0.28 117.51 128.42 3gak h ILE 241 Ca 0.31 -1.12 0.06 0.00 -0.12 0.00 0.00 64.86 64.00 3gak h ILE 241 Cb -0.03 1.19 -0.06 0.00 -3.03 0.00 0.00 36.82 34.89 3gak h ILE 241 CO -0.10 0.38 -0.04 0.58 -0.68 0.00 0.00 178.15 178.29 3gak h VAL 242 N 0.56 0.71 0.54 1.67 2.07 -0.66 0.25 116.25 121.39 3gak h VAL 242 Ca 0.11 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 3gak h VAL 242 Cb 0.57 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3gak h VAL 242 CO 0.03 0.01 -0.37 -0.74 0.02 0.00 0.00 177.57 176.52 3gak h HIS 243 N 0.05 -1.00 -0.97 1.57 -0.00 -1.03 -1.82 115.15 111.95 3gak h HIS 243 Ca 0.16 -0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.71 3gak h HIS 243 Cb 0.24 0.36 -0.18 0.00 -0.00 0.00 0.00 27.41 27.83 3gak h HIS 243 CO -0.28 -0.54 -0.27 0.00 -0.00 0.00 0.00 177.93 176.85 3gak n ALA 244 N -2.60 0.17 -0.13 5.26 0.00 -0.13 -2.22 120.51 120.87 3gak n ALA 244 Ca -0.11 1.04 -0.06 0.00 0.00 0.00 0.00 53.44 54.32 3gak n ALA 244 Cb 0.37 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3gak n ALA 244 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gak h ILE 245 N 0.00 0.30 0.00 0.00 2.04 0.38 0.71 117.51 120.94 3gak h ILE 245 Ca 0.44 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.30 3gak h ILE 245 Cb 0.68 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3gak h ILE 245 CO -0.99 0.00 -0.00 1.23 0.00 0.00 0.00 178.15 178.39 3gak h GLY 246 N -0.19 0.00 -3.30 5.37 0.00 -1.26 -2.12 103.07 101.56 3gak h GLY 246 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.19 3gak h GLY 246 CO -0.53 0.00 0.42 1.18 0.00 0.00 0.00 176.54 177.61 3gak n GLU 247 N -3.10 1.91 0.00 4.80 -0.58 0.24 -4.88 120.64 119.03 3gak n GLU 247 Ca 0.01 -2.01 0.00 0.00 -0.42 0.00 0.00 57.16 54.74 3gak n GLU 247 Cb 0.35 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 3gak n GLU 247 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gak n GLY 248 N -0.55 3.35 3.51 0.62 0.00 -0.80 -3.32 105.19 107.99 3gak n GLY 248 Ca 0.39 -1.02 -0.55 0.00 0.00 0.00 0.00 46.02 44.85 3gak n GLY 248 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gak n VAL 249 N 0.00 0.20 -0.08 1.61 0.31 -1.19 -4.24 118.33 114.94 3gak n VAL 249 Ca 0.00 -0.14 -0.08 0.00 -0.01 0.00 0.00 64.34 64.11 3gak n VAL 249 Cb 0.00 -1.30 -0.13 0.00 -0.91 0.00 0.00 33.84 31.50 3gak n VAL 249 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gak s LYS 251 N -2.40 3.28 -0.21 0.00 2.20 -1.16 0.86 119.74 122.33 3gak s LYS 251 Ca -0.08 -0.70 -0.00 0.00 -0.36 0.00 0.00 55.97 54.82 3gak s LYS 251 Cb 0.05 -2.74 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 3gak s LYS 251 CO 0.67 -0.03 -0.13 0.42 -0.36 0.00 0.00 175.35 175.91 3gak s ILE 252 N 0.97 2.51 -0.23 5.43 1.09 -0.28 -1.74 121.20 128.96 3gak s ILE 252 Ca -0.02 -0.90 -0.20 0.00 -1.10 0.00 0.00 60.65 58.43 3gak s ILE 252 Cb -0.15 -2.15 -0.02 0.00 -1.06 0.00 0.00 42.46 39.08 3gak s ILE 252 CO -0.01 0.41 0.60 0.20 -0.10 0.00 0.00 174.94 176.04 3gak s ASN 253 N 1.33 6.60 -0.11 3.58 -0.87 -0.80 0.99 114.94 125.67 3gak s ASN 253 Ca 0.03 0.73 -0.01 0.00 -1.57 0.00 0.00 52.86 52.05 3gak s ASN 253 Cb -0.14 -2.33 0.03 0.00 -0.02 0.00 0.00 41.25 38.78 3gak s ASN 253 CO -0.09 -0.30 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.40 3gak s VAL 254 N 2.13 0.87 0.15 1.60 1.01 0.11 -2.51 120.40 123.77 3gak s VAL 254 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3gak s VAL 254 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3gak s VAL 254 CO 0.09 0.33 0.00 -0.67 0.00 0.00 0.00 175.10 174.85 3gak n ASP 255 N 4.99 0.34 0.42 3.32 4.64 -1.26 -3.58 116.55 125.42 3gak n ASP 255 Ca -0.11 0.25 -0.19 0.00 -1.38 0.00 0.00 54.79 53.36 3gak n ASP 255 Cb 0.50 0.04 -0.09 0.00 -1.04 0.00 0.00 41.12 40.53 3gak n ASP 255 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3gak h SER 256 N 0.00 -1.18 -0.56 1.67 0.02 -1.94 -1.55 113.55 110.00 3gak h SER 256 Ca 0.00 0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.12 3gak h SER 256 Cb 0.12 0.34 -0.10 0.00 0.14 0.00 0.00 62.40 62.90 3gak h SER 256 CO 0.00 -0.73 -0.16 0.47 -1.14 0.00 0.00 176.83 175.28 3gak n ASP 257 N -5.43 -0.24 -0.24 3.07 8.00 -1.26 0.10 116.55 120.56 3gak n ASP 257 Ca -0.14 0.97 -0.06 0.00 0.71 0.00 0.00 54.79 56.27 3gak n ASP 257 Cb 0.48 -0.28 0.05 0.00 -0.02 0.00 0.00 41.12 41.35 3gak n ASP 257 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3gak h SER 258 N 0.00 0.81 0.60 -2.24 0.02 -1.63 0.47 113.55 111.58 3gak h SER 258 Ca 0.25 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3gak h SER 258 Cb 0.39 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.74 3gak h SER 258 CO -0.57 0.64 -0.29 0.03 -1.14 0.00 0.00 176.83 175.50 3gak h ARG 259 N 0.91 -0.77 -0.81 3.45 3.08 0.10 -2.74 114.38 117.60 3gak h ARG 259 Ca 0.24 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.52 3gak h ARG 259 Cb -0.02 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.06 3gak h ARG 259 CO -0.04 -0.47 -0.12 0.52 -1.07 0.00 0.00 179.97 178.78 3gak h MET 260 N -1.11 0.03 -0.50 0.04 2.86 -0.38 -2.10 114.93 113.76 3gak h MET 260 Ca -0.08 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3gak h MET 260 Cb 0.66 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3gak h MET 260 CO 0.13 0.02 -0.16 0.00 1.06 0.00 0.00 176.91 177.96 3gak h ALA 261 N 1.80 0.76 -0.57 6.32 0.00 -0.81 -1.41 119.26 125.34 3gak h ALA 261 Ca 0.42 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gak h ALA 261 Cb 0.69 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3gak h ALA 261 CO -0.80 0.67 0.23 1.98 0.00 0.00 0.00 179.25 181.34 3gak h MET 262 N 0.86 0.84 -0.51 0.00 -1.53 -1.13 -3.19 114.93 110.28 3gak h MET 262 Ca 0.12 -0.15 -0.10 0.00 -3.44 0.00 0.00 59.70 56.14 3gak h MET 262 Cb 0.73 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 3gak h MET 262 CO 0.06 0.72 -0.08 1.15 0.14 0.00 0.00 176.91 178.89 3gak h THR 263 N 0.77 1.26 -0.13 -0.77 2.02 -0.93 -1.84 112.91 113.30 3gak h THR 263 Ca 0.19 -1.19 0.03 0.00 0.77 0.00 0.00 66.41 66.21 3gak h THR 263 Cb 0.19 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3gak h THR 263 CO -0.02 0.42 -0.05 1.23 0.37 0.00 0.00 175.52 177.47 3gak h GLY 264 N 0.97 0.07 0.94 2.16 0.00 -1.32 -1.65 103.07 104.23 3gak h GLY 264 Ca 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 3gak h GLY 264 CO 0.04 -0.07 -0.24 0.00 0.00 0.00 0.00 176.54 176.27 3gak h ALA 265 N 1.09 -0.67 -0.63 3.60 0.00 -1.49 0.86 119.26 122.02 3gak h ALA 265 Ca 0.07 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3gak h ALA 265 Cb 0.14 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 3gak h ALA 265 CO -0.16 -0.84 -0.32 0.82 0.00 0.00 0.00 179.25 178.75 3gak h ILE 266 N -0.75 0.17 -0.93 0.00 2.04 -1.36 0.60 117.51 117.29 3gak h ILE 266 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3gak h ILE 266 Cb 0.55 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3gak h ILE 266 CO 0.11 0.00 0.61 0.03 0.00 0.00 0.00 178.15 178.91 3gak h ARG 267 N -0.14 1.20 0.70 2.37 3.08 -1.00 -0.79 114.38 119.81 3gak h ARG 267 Ca 0.25 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3gak h ARG 267 Cb 0.55 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3gak h ARG 267 CO -0.71 0.80 -0.48 -0.22 -1.07 0.00 0.00 179.97 178.29 3gak h LYS 268 N 1.24 -1.08 -0.11 0.04 3.64 0.70 -2.33 116.57 118.67 3gak h LYS 268 Ca 0.34 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 3gak h LYS 268 Cb -0.12 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3gak h LYS 268 CO -0.08 -0.72 0.02 0.28 -2.27 0.00 0.00 179.45 176.68 3gak h VAL 269 N -1.12 1.06 -0.39 2.00 2.07 -0.58 -0.07 116.25 119.22 3gak h VAL 269 Ca -0.09 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 3gak h VAL 269 Cb 0.92 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3gak h VAL 269 CO 0.06 0.07 -0.17 -0.26 0.02 0.00 0.00 177.57 177.29 3gak h PHE 270 N 0.15 0.83 0.03 1.57 -1.00 -1.02 -2.58 116.94 114.92 3gak h PHE 270 Ca 0.04 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.65 3gak h PHE 270 Cb 0.07 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.43 3gak h PHE 270 CO 0.00 0.86 -0.01 0.28 -1.61 0.00 0.00 178.31 177.83 3gak h VAL 271 N 0.66 1.04 0.00 -0.55 2.07 -0.81 -3.18 116.25 115.47 3gak h VAL 271 Ca 0.10 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3gak h VAL 271 Cb 0.66 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3gak h VAL 271 CO 0.05 0.34 0.00 -0.33 0.02 0.00 0.00 177.57 177.65 3gak h GLU 272 N -0.97 0.00 -0.46 1.57 5.08 -1.13 -3.36 114.58 115.31 3gak h GLU 272 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3gak h GLU 272 Cb 0.58 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.67 3gak h GLU 272 CO 0.01 0.00 -0.55 0.72 -1.00 0.00 0.00 179.01 178.19 3gak n HIS 273 N -2.51 -3.22 0.65 4.33 8.25 -0.97 -5.03 115.22 116.72 3gak n HIS 273 Ca 0.00 -1.82 0.04 0.00 -0.26 0.00 0.00 57.72 55.69 3gak n HIS 273 Cb 0.18 1.38 0.25 0.00 1.12 0.00 0.00 29.99 32.92 3gak n HIS 273 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3gak n PRO 274 N 2.00 0.32 0.06 -0.41 -0.02 -1.20 -2.01 135.00 133.74 3gak n PRO 274 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3gak n PRO 274 Cb 0.60 -1.41 0.29 0.00 -0.02 0.00 0.00 33.50 32.97 3gak n PRO 274 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3gak n GLU 275 N -0.91 0.22 -3.01 -0.52 0.00 -1.26 -4.88 120.64 110.28 3gak n GLU 275 Ca 0.06 0.11 -0.38 0.00 0.00 0.00 0.00 57.16 56.95 3gak n GLU 275 Cb 0.03 -1.68 -0.06 0.00 0.00 0.00 0.00 31.44 29.73 3gak n GLU 275 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3gak s LYS 276 N -3.11 4.42 0.00 3.44 1.02 -0.85 -4.92 119.74 119.73 3gak s LYS 276 Ca 0.09 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.12 3gak s LYS 276 Cb 0.14 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 3gak s LYS 276 CO 0.66 0.45 0.00 1.97 -0.92 0.00 0.00 175.35 177.51 3gak n PHE 277 N 1.05 0.00 -1.95 3.18 1.16 -1.26 -5.02 117.46 114.62 3gak n PHE 277 Ca -0.03 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.12 3gak n PHE 277 Cb 0.50 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.34 3gak n PHE 277 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3gak s ASP 278 N 0.00 6.22 0.44 5.98 2.15 -1.26 -4.82 116.67 125.38 3gak s ASP 278 Ca 0.00 1.83 0.20 0.00 0.43 0.00 0.00 52.55 55.01 3gak s ASP 278 Cb 0.00 -2.53 1.16 0.00 -0.30 0.00 0.00 42.92 41.26 3gak s ASP 278 CO 0.00 -1.36 1.85 -0.65 -0.17 0.00 0.00 175.17 174.84 3gak h PRO 279 N 11.49 0.32 -0.77 4.34 0.11 -2.01 0.61 132.00 146.08 3gak h PRO 279 Ca -0.37 -0.02 0.22 0.00 0.11 0.00 0.00 66.00 65.94 3gak h PRO 279 Cb 1.18 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3gak h PRO 279 CO 0.99 0.21 0.66 0.00 -0.21 0.00 0.00 178.00 179.64 3gak h ARG 280 N 0.33 0.00 0.00 1.05 3.08 -1.97 0.16 114.38 117.02 3gak h ARG 280 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 3gak h ARG 280 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3gak h ARG 280 CO -0.16 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 178.30 3gak h ASP 281 N 0.00 0.00 0.00 7.04 3.45 -0.13 -2.07 116.42 124.71 3gak h ASP 281 Ca 0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.83 3gak h ASP 281 Cb 1.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.45 3gak h ASP 281 CO -0.00 0.00 -0.95 0.00 -1.57 0.00 0.00 179.24 176.71 3gak n TYR 282 N -2.58 0.00 -0.31 4.55 0.18 0.32 -4.67 117.16 114.65 3gak n TYR 282 Ca 0.02 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.76 3gak n TYR 282 Cb 0.31 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.35 3gak n TYR 282 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3gak h LEU 283 N 0.00 1.00 -0.73 -3.48 4.07 -1.02 0.48 115.31 115.62 3gak h LEU 283 Ca 0.00 -0.06 0.13 0.00 0.08 0.00 0.00 57.88 58.03 3gak h LEU 283 Cb 0.95 -0.25 -0.09 0.00 1.08 0.00 0.00 40.66 42.35 3gak h LEU 283 CO 0.00 0.76 0.30 1.23 -1.08 0.00 0.00 178.44 179.66 3gak h GLY 284 N 1.16 1.10 1.34 0.83 0.00 -1.56 0.34 103.07 106.28 3gak h GLY 284 Ca 0.31 -0.16 -0.24 0.00 0.00 0.00 0.00 47.33 47.24 3gak h GLY 284 CO -0.06 -0.06 -0.94 -2.55 0.00 0.00 0.00 176.54 172.93 3gak h PRO 285 N 0.47 0.61 -0.04 4.80 0.11 -1.75 -2.87 132.00 133.33 3gak h PRO 285 Ca 0.39 -0.61 0.01 0.00 0.11 0.00 0.00 66.00 65.90 3gak h PRO 285 Cb 0.55 0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3gak h PRO 285 CO -0.37 1.22 0.06 0.78 -0.21 0.00 0.00 178.00 179.48 3gak h GLY 286 N 0.76 0.00 0.03 -0.55 0.00 0.50 -0.86 103.07 102.94 3gak h GLY 286 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3gak h GLY 286 CO 0.18 0.00 -0.00 -0.09 0.00 0.00 0.00 176.54 176.63 3gak h ARG 287 N 0.00 -0.01 0.00 4.80 2.43 -0.34 -3.22 114.38 118.05 3gak h ARG 287 Ca 0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3gak h ARG 287 Cb 0.14 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3gak h ARG 287 CO -0.00 0.84 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.78 3gak h ASP 288 N -0.98 0.00 0.05 -3.80 3.45 -1.03 -1.06 116.42 113.05 3gak h ASP 288 Ca -0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gak h ASP 288 Cb 0.85 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 3gak h ASP 288 CO 0.00 0.08 -0.02 0.00 -1.57 0.00 0.00 179.24 177.73 3gak h ALA 289 N 1.92 -0.07 -0.96 3.45 0.00 -1.34 -1.62 119.26 120.64 3gak h ALA 289 Ca -0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 3gak h ALA 289 Cb 0.17 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 3gak h ALA 289 CO 0.01 -0.34 -0.38 0.82 0.00 0.00 0.00 179.25 179.36 3gak h ILE 290 N -0.46 0.02 -0.88 0.00 2.04 -1.21 0.19 117.51 117.21 3gak h ILE 290 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3gak h ILE 290 Cb 0.41 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3gak h ILE 290 CO 0.01 0.00 0.58 0.74 0.00 0.00 0.00 178.15 179.48 3gak h THR 291 N -0.02 1.21 0.68 -0.27 2.02 -1.46 0.39 112.91 115.47 3gak h THR 291 Ca 0.34 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3gak h THR 291 Cb 0.60 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3gak h THR 291 CO -0.96 0.22 -0.33 -0.33 0.37 0.00 0.00 175.52 174.49 3gak h GLU 292 N 1.18 -0.88 -0.87 6.66 4.39 0.27 -2.60 114.58 122.73 3gak h GLU 292 Ca 0.33 0.06 0.20 0.00 0.34 0.00 0.00 59.36 60.29 3gak h GLU 292 Cb -0.11 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 28.63 3gak h GLU 292 CO -0.08 -0.57 0.38 1.98 -1.16 0.00 0.00 179.01 179.56 3gak h MET 293 N -1.20 0.42 -0.84 2.33 1.85 -0.74 -1.22 114.93 115.53 3gak h MET 293 Ca -0.09 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.02 3gak h MET 293 Cb 0.72 -0.09 -0.05 0.00 0.43 0.00 0.00 31.60 32.61 3gak h MET 293 CO 0.15 0.28 0.55 -0.07 -0.40 0.00 0.00 176.91 177.42 3gak h LEU 294 N 0.43 0.86 0.09 3.39 4.07 -0.84 -3.30 115.31 120.01 3gak h LEU 294 Ca 0.53 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.48 3gak h LEU 294 Cb 0.94 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.49 3gak h LEU 294 CO -0.49 0.58 -0.04 0.40 -1.08 0.00 0.00 178.44 177.80 3gak h ILE 295 N 0.99 1.03 -0.65 1.22 2.04 -0.81 0.23 117.51 121.57 3gak h ILE 295 Ca 0.34 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3gak h ILE 295 Cb 0.10 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3gak h ILE 295 CO -0.11 0.11 0.28 1.55 0.00 0.00 0.00 178.15 179.97 3gak h PRO 296 N -0.32 0.94 0.16 2.37 0.13 -1.69 -1.91 132.00 131.68 3gak h PRO 296 Ca -0.01 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 3gak h PRO 296 Cb 0.27 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 3gak h PRO 296 CO 0.02 0.75 -0.14 -0.22 -0.23 0.00 0.00 178.00 178.18 3gak h LYS 297 N 0.93 -0.29 -0.93 0.86 3.64 -1.37 -0.31 116.57 119.10 3gak h LYS 297 Ca 0.22 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.75 3gak h LYS 297 Cb 0.15 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 31.89 3gak h LYS 297 CO -0.02 -0.19 -0.43 0.82 -2.27 0.00 0.00 179.45 177.35 3gak h ILE 298 N -0.30 0.02 -0.65 2.00 2.04 -0.61 -1.19 117.51 118.81 3gak h ILE 298 Ca -0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.97 3gak h ILE 298 Cb 0.25 0.02 -0.13 0.00 -0.74 0.00 0.00 36.82 36.23 3gak h ILE 298 CO -0.01 0.00 -0.19 0.50 0.00 0.00 0.00 178.15 178.45 3gak h LYS 299 N -0.04 -0.02 0.00 2.37 3.64 -0.74 0.67 116.57 122.46 3gak h LYS 299 Ca 0.28 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3gak h LYS 299 Cb 0.55 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3gak h LYS 299 CO -0.93 -0.02 -0.08 0.00 -2.27 0.00 0.00 179.45 176.15 3gak h ALA 300 N 1.57 1.06 0.00 5.00 0.00 0.06 -1.79 119.26 125.17 3gak h ALA 300 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gak h ALA 300 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gak h ALA 300 CO -0.69 0.11 0.00 0.74 0.00 0.00 0.00 179.25 179.41 3gak h PHE 301 N 0.00 0.00 -2.18 0.00 0.04 0.13 -3.45 116.94 111.48 3gak h PHE 301 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 3gak h PHE 301 Cb 0.48 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.66 3gak h PHE 301 CO 0.00 0.00 -0.25 0.41 -0.60 0.00 0.00 178.31 177.87 3gak n GLY 302 N 0.02 0.22 0.18 -1.45 0.00 -0.67 -2.38 105.19 101.11 3gak n GLY 302 Ca 0.01 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.71 3gak n GLY 302 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gak n SER 303 N 0.01 1.27 -4.72 1.61 3.41 -1.26 -4.59 113.62 109.35 3gak n SER 303 Ca -0.04 -1.14 -0.38 0.00 -0.26 0.00 0.00 58.87 57.05 3gak n SER 303 Cb 0.55 0.78 0.05 0.00 -0.26 0.00 0.00 64.21 65.32 3gak n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gak n ALA 304 N -0.85 1.33 0.00 7.33 0.00 -1.26 -2.11 120.51 124.95 3gak n ALA 304 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3gak n ALA 304 Cb 0.33 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3gak n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gak n GLY 305 N 0.85 2.97 0.03 0.00 0.00 -0.39 -4.81 105.19 103.84 3gak n GLY 305 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3gak n GLY 305 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gak n HIS 306 N -2.00 0.25 -0.36 1.61 -0.00 -0.89 -4.22 115.22 109.60 3gak n HIS 306 Ca 0.00 0.07 0.29 0.00 -0.00 0.00 0.00 57.72 58.08 3gak n HIS 306 Cb 0.00 -0.54 0.59 0.00 -0.00 0.00 0.00 29.99 30.05 3gak n HIS 306 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gak h ALA 307 N 2.84 2.55 -0.51 -1.41 0.00 -1.44 0.28 119.26 121.58 3gak h ALA 307 Ca 0.00 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 3gak h ALA 307 Cb 0.58 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.28 3gak h ALA 307 CO 0.00 -1.00 0.03 0.41 0.00 0.00 0.00 179.25 178.69 3gak n GLY 308 N -1.55 4.99 0.15 0.00 0.00 -1.26 -4.41 105.19 103.12 3gak n GLY 308 Ca 0.29 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 45.08 3gak n GLY 308 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gak h ASP 309 N 1.12 0.00 -5.02 1.61 3.32 -1.21 -3.48 116.42 112.76 3gak h ASP 309 Ca 0.32 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 3gak h ASP 309 Cb 1.79 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 41.15 3gak h ASP 309 CO 0.58 0.00 -0.44 -0.72 -1.72 0.00 0.00 179.24 176.94 3gak s TYR 310 N -3.37 0.04 -0.21 4.55 -0.85 -1.26 -5.11 117.35 111.14 3gak s TYR 310 Ca 0.03 -0.18 -0.29 0.00 -0.52 0.00 0.00 57.07 56.11 3gak s TYR 310 Cb 0.09 -0.04 -0.00 0.00 0.38 0.00 0.00 41.96 42.39 3gak s TYR 310 CO 0.40 -0.35 1.19 0.21 -1.52 0.00 0.00 175.55 175.47 3gak s LYS 311 N -1.89 4.18 -0.27 -3.49 2.47 -1.26 -4.97 119.74 114.51 3gak s LYS 311 Ca -0.10 1.47 -0.28 0.00 -1.56 0.00 0.00 55.97 55.50 3gak s LYS 311 Cb -0.05 -3.74 0.01 0.00 -1.46 0.00 0.00 37.83 32.59 3gak s LYS 311 CO -0.01 -0.76 1.01 0.08 0.16 0.00 0.00 175.35 175.84 3gak s VAL 312 N 3.54 4.64 0.16 4.02 1.01 -1.26 -5.01 120.40 127.50 3gak s VAL 312 Ca 0.51 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.98 3gak s VAL 312 Cb -0.18 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.81 3gak s VAL 312 CO 0.13 -0.29 1.15 -0.69 0.00 0.00 0.00 175.10 175.41 3gak s VAL 313 N 3.31 3.78 0.89 2.92 1.01 -1.26 -5.05 120.40 126.00 3gak s VAL 313 Ca 0.42 1.47 -0.14 0.00 0.00 0.00 0.00 61.98 63.74 3gak s VAL 313 Cb -0.14 -3.94 0.13 0.00 0.00 0.00 0.00 36.38 32.43 3gak s VAL 313 CO 0.10 0.22 1.22 -0.94 0.00 0.00 0.00 175.10 175.71 3gak s SER 314 N 0.18 3.80 0.19 3.32 1.04 -1.26 -4.48 113.70 116.49 3gak s SER 314 Ca 0.52 0.61 -0.11 0.00 0.48 0.00 0.00 55.95 57.45 3gak s SER 314 Cb -0.31 -0.94 0.11 0.00 0.10 0.00 0.00 66.02 64.98 3gak s SER 314 CO 0.35 -2.34 1.81 -0.07 0.98 0.00 0.00 173.24 173.97 3gak h LEU 315 N -1.36 0.82 -0.78 2.42 3.38 -1.88 0.21 115.31 118.12 3gak h LEU 315 Ca -0.46 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.35 3gak h LEU 315 Cb 1.30 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3gak h LEU 315 CO 0.55 0.67 0.14 -0.08 0.09 0.00 0.00 178.44 179.80 3gak h GLU 316 N 0.90 1.06 0.00 1.13 4.57 -1.95 -0.83 114.58 119.45 3gak h GLU 316 Ca 0.23 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 3gak h GLU 316 Cb 0.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3gak h GLU 316 CO -0.04 0.95 -0.34 0.93 -1.18 0.00 0.00 179.01 179.33 3gak h GLU 317 N 1.00 0.00 0.00 1.92 5.08 -1.93 -2.94 114.58 117.72 3gak h GLU 317 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3gak h GLU 317 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3gak h GLU 317 CO 0.01 0.34 -0.15 0.00 -1.00 0.00 0.00 179.01 178.21 3gak h ALA 318 N 1.66 1.03 -0.86 3.43 0.00 0.75 -2.94 119.26 122.32 3gak h ALA 318 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3gak h ALA 318 Cb 0.93 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3gak h ALA 318 CO 0.04 0.18 0.54 0.87 0.00 0.00 0.00 179.25 180.89 3gak h LYS 319 N 0.00 0.98 -0.32 0.00 1.57 -1.06 -3.08 116.57 114.66 3gak h LYS 319 Ca -0.00 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3gak h LYS 319 Cb 0.66 -0.22 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 3gak h LYS 319 CO 0.02 0.65 -0.23 0.00 -0.57 0.00 0.00 179.45 179.32 3gak h ALA 320 N 1.39 -0.04 -0.90 3.86 0.00 -1.67 -1.81 119.26 120.09 3gak h ALA 320 Ca 0.37 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.56 3gak h ALA 320 Cb 0.12 0.51 -0.17 0.00 0.00 0.00 0.00 17.79 18.25 3gak h ALA 320 CO -0.16 -0.63 -0.23 0.91 0.00 0.00 0.00 179.25 179.14 3gak n TRP 321 N -5.38 0.31 1.92 0.00 8.01 -1.16 -5.19 117.44 115.95 3gak n TRP 321 Ca 0.00 1.09 0.16 0.00 -1.31 0.00 0.00 57.50 57.44 3gak n TRP 321 Cb 0.29 -1.01 0.88 0.00 -2.01 0.00 0.00 31.31 29.47 3gak n TRP 321 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34