#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqf n ASN 6 N 0.00 2.83 -3.92 1.08 3.02 -1.26 -4.97 115.26 112.04 3kqf n ASN 6 Ca 0.00 -1.84 -0.10 0.00 -0.03 0.00 0.00 54.58 52.61 3kqf n ASN 6 Cb 0.00 -0.10 -0.11 0.00 -0.61 0.00 0.00 39.78 38.97 3kqf n ASN 6 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kqf s ILE 7 N -1.44 0.09 0.11 2.41 1.01 -1.26 -0.51 121.20 121.61 3kqf s ILE 7 Ca 0.26 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.25 3kqf s ILE 7 Cb 0.17 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 3kqf s ILE 7 CO 0.24 -0.41 -0.21 -0.94 0.00 0.00 0.00 174.94 173.63 3kqf s SER 8 N -1.35 3.71 -0.07 3.58 1.04 -0.80 -4.94 113.70 114.87 3kqf s SER 8 Ca -0.15 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 3kqf s SER 8 Cb -0.08 -0.46 0.03 0.00 0.10 0.00 0.00 66.02 65.60 3kqf s SER 8 CO 0.00 0.19 -0.02 -0.69 0.98 0.00 0.00 173.24 173.70 3kqf s VAL 9 N -1.09 0.51 -0.08 5.02 1.01 -1.26 -1.44 120.40 123.07 3kqf s VAL 9 Ca 0.16 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3kqf s VAL 9 Cb -0.10 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3kqf s VAL 9 CO 0.08 0.26 0.26 -1.81 0.00 0.00 0.00 175.10 173.89 3kqf s ASP 10 N 1.62 -0.23 -0.53 3.32 1.11 -0.73 -4.99 116.67 116.24 3kqf s ASP 10 Ca 0.00 0.41 -0.29 0.00 0.18 0.00 0.00 52.55 52.85 3kqf s ASP 10 Cb -0.13 0.48 0.03 0.00 1.07 0.00 0.00 42.92 44.37 3kqf s ASP 10 CO -0.04 -0.16 1.18 -0.31 1.18 0.00 0.00 175.17 177.02 3kqf s TYR 11 N -0.18 2.68 0.20 4.23 1.51 -1.26 -0.44 117.35 124.10 3kqf s TYR 11 Ca -0.03 0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 56.55 3kqf s TYR 11 Cb -0.03 -4.48 0.15 0.00 -0.11 0.00 0.00 41.96 37.49 3kqf s TYR 11 CO 0.01 -1.47 1.56 0.00 -1.11 0.00 0.00 175.55 174.54 3kqf h ALA 12 N 9.49 0.78 -2.84 3.71 0.00 -1.52 -3.46 119.26 125.41 3kqf h ALA 12 Ca -0.24 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 3kqf h ALA 12 Cb 1.06 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 3kqf h ALA 12 CO 1.16 0.65 -0.06 0.95 0.00 0.00 0.00 179.25 181.95 3kqf s THR 13 N -4.29 0.01 0.14 0.00 -4.23 -1.24 -5.05 115.64 100.98 3kqf s THR 13 Ca -0.08 -1.22 -0.35 0.00 -1.18 0.00 0.00 61.69 58.86 3kqf s THR 13 Cb 0.12 -2.01 -0.15 0.00 1.34 0.00 0.00 72.50 71.80 3kqf s THR 13 CO 0.84 -0.05 1.49 -2.65 -0.54 0.00 0.00 174.62 173.71 3kqf n PRO 14 N -0.37 1.81 -0.82 3.99 -0.02 -1.26 -1.78 135.00 136.56 3kqf n PRO 14 Ca -0.04 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3kqf n PRO 14 Cb 0.62 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3kqf n PRO 14 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3kqf n HIS 15 N 3.06 0.00 -4.06 6.00 8.25 -1.26 -4.98 115.22 122.23 3kqf n HIS 15 Ca 0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.31 3kqf n HIS 15 Cb 0.26 -0.33 -0.15 0.00 1.12 0.00 0.00 29.99 30.89 3kqf n HIS 15 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3kqf s VAL 16 N -3.28 2.26 -0.17 1.59 1.01 -0.73 -0.15 120.40 120.93 3kqf s VAL 16 Ca 0.00 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 3kqf s VAL 16 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3kqf s VAL 16 CO 0.00 0.12 0.17 0.54 0.00 0.00 0.00 175.10 175.93 3kqf s VAL 17 N 1.17 5.40 -0.22 2.92 0.11 -0.86 -1.20 120.40 127.72 3kqf s VAL 17 Ca -0.05 0.27 -0.06 0.00 -2.93 0.00 0.00 61.98 59.22 3kqf s VAL 17 Cb -0.18 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 3kqf s VAL 17 CO -0.07 0.47 0.02 -0.75 -3.33 0.00 0.00 175.10 171.44 3kqf s LYS 18 N 0.10 3.63 -0.23 1.54 2.20 0.42 -0.68 119.74 126.72 3kqf s LYS 18 Ca 0.11 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 3kqf s LYS 18 Cb -0.12 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3kqf s LYS 18 CO 0.00 -0.06 0.01 0.42 -0.36 0.00 0.00 175.35 175.36 3kqf s ILE 19 N 1.21 3.83 -0.18 5.43 1.01 0.06 -1.77 121.20 130.80 3kqf s ILE 19 Ca 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 3kqf s ILE 19 Cb -0.15 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3kqf s ILE 19 CO 0.02 0.39 -0.13 -0.55 0.00 0.00 0.00 174.94 174.67 3kqf s SER 20 N 1.42 3.74 -0.07 3.58 0.15 -0.52 -1.02 113.70 120.98 3kqf s SER 20 Ca 0.05 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 3kqf s SER 20 Cb -0.15 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 3kqf s SER 20 CO 0.00 0.04 1.36 -0.76 1.20 0.00 0.00 173.24 175.08 3kqf s LEU 21 N 1.08 4.27 -0.66 3.45 1.43 0.91 -1.90 118.68 127.25 3kqf s LEU 21 Ca -0.00 1.95 0.05 0.00 -1.03 0.00 0.00 54.13 55.10 3kqf s LEU 21 Cb -0.14 -3.55 0.25 0.00 0.03 0.00 0.00 46.19 42.78 3kqf s LEU 21 CO -0.04 -0.73 0.79 -3.20 0.23 0.00 0.00 176.35 173.40 3kqf n ASN 22 N 5.95 3.92 -2.76 2.29 5.15 0.33 -0.85 115.26 129.30 3kqf n ASN 22 Ca 0.13 -3.45 -0.10 0.00 -0.60 0.00 0.00 54.58 50.56 3kqf n ASN 22 Cb 0.44 -0.70 0.03 0.00 -0.53 0.00 0.00 39.78 39.02 3kqf n ASN 22 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kqf n ARG 23 N 0.87 1.11 -0.29 1.20 1.74 -1.26 -4.68 116.66 115.34 3kqf n ARG 23 Ca 0.30 -3.15 0.12 0.00 -0.77 0.00 0.00 57.85 54.35 3kqf n ARG 23 Cb 0.41 -1.24 0.28 0.00 -1.02 0.00 0.00 32.46 30.89 3kqf n ARG 23 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3kqf h GLU 24 N 2.93 0.29 0.00 5.56 5.08 -1.87 0.59 114.58 127.16 3kqf h GLU 24 Ca -0.08 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kqf h GLU 24 Cb 1.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kqf h GLU 24 CO 0.45 0.19 -0.02 0.00 -1.00 0.00 0.00 179.01 178.63 3kqf h ARG 25 N 0.30 0.00 -0.48 2.33 3.08 -1.98 -2.06 114.38 115.56 3kqf h ARG 25 Ca 0.53 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.34 3kqf h ARG 25 Cb 1.03 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.94 3kqf h ARG 25 CO -0.58 0.02 0.07 1.04 -1.07 0.00 0.00 179.97 179.46 3kqf n GLN 26 N -4.18 2.01 -2.93 0.04 3.00 0.03 -4.95 117.38 110.40 3kqf n GLN 26 Ca -0.03 -3.14 -0.20 0.00 -0.01 0.00 0.00 57.00 53.62 3kqf n GLN 26 Cb 0.11 -1.90 0.01 0.00 0.00 0.00 0.00 30.24 28.46 3kqf n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kqf n ALA 27 N -1.08 -0.92 -2.81 -1.58 0.00 -0.77 -1.84 120.51 111.50 3kqf n ALA 27 Ca 0.38 0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.81 3kqf n ALA 27 Cb 1.16 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3kqf n ALA 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kqf n ASN 28 N -2.25 -4.54 -4.72 0.00 3.02 -0.21 -1.51 115.26 105.05 3kqf n ASN 28 Ca -0.11 -0.09 -0.33 0.00 -0.03 0.00 0.00 54.58 54.02 3kqf n ASN 28 Cb 0.60 -3.77 0.10 0.00 -0.61 0.00 0.00 39.78 36.11 3kqf n ASN 28 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kqf s SER 29 N -2.36 4.05 -0.82 6.41 1.04 -0.77 -4.30 113.70 116.95 3kqf s SER 29 Ca 0.17 2.18 -0.21 0.00 0.48 0.00 0.00 55.95 58.58 3kqf s SER 29 Cb -0.09 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.56 3kqf s SER 29 CO 0.21 -2.35 1.08 -0.76 0.98 0.00 0.00 173.24 172.40 3kqf s LEU 30 N -5.60 4.63 0.57 2.42 1.43 0.14 -4.78 118.68 117.48 3kqf s LEU 30 Ca 0.69 -1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 3kqf s LEU 30 Cb -0.24 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.57 3kqf s LEU 30 CO 0.50 -1.27 0.85 -0.94 0.23 0.00 0.00 176.35 175.72 3kqf s SER 31 N 3.77 5.52 0.22 2.29 1.04 -1.26 -3.20 113.70 122.07 3kqf s SER 31 Ca 0.29 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 57.14 3kqf s SER 31 Cb -0.10 -1.51 0.17 0.00 0.10 0.00 0.00 66.02 64.68 3kqf s SER 31 CO -0.01 -1.06 1.89 -0.07 0.98 0.00 0.00 173.24 174.97 3kqf h LEU 32 N -0.08 0.90 -0.08 2.42 3.38 -1.98 -0.86 115.31 119.02 3kqf h LEU 32 Ca -0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kqf h LEU 32 Cb 1.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3kqf h LEU 32 CO 0.59 0.65 0.04 0.00 0.09 0.00 0.00 178.44 179.81 3kqf h ALA 33 N 1.29 0.09 -0.52 1.53 0.00 -1.99 -0.31 119.26 119.35 3kqf h ALA 33 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kqf h ALA 33 Cb -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kqf h ALA 33 CO -0.06 -0.42 0.31 1.25 0.00 0.00 0.00 179.25 180.32 3kqf h LEU 34 N 0.09 0.63 -0.95 0.00 6.46 -1.87 -2.42 115.31 117.24 3kqf h LEU 34 Ca 0.03 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 3kqf h LEU 34 Cb 0.00 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 3kqf h LEU 34 CO -0.02 0.51 0.62 -0.07 -0.62 0.00 0.00 178.44 178.85 3kqf h LEU 35 N 0.70 1.04 -0.17 2.25 3.38 -0.92 0.20 115.31 121.79 3kqf h LEU 35 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kqf h LEU 35 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3kqf h LEU 35 CO -0.03 0.72 0.06 -0.08 0.09 0.00 0.00 178.44 179.19 3kqf h GLU 36 N 1.21 0.26 -0.23 1.13 4.81 -0.61 -0.50 114.58 120.65 3kqf h GLU 36 Ca 0.37 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 3kqf h GLU 36 Cb -0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3kqf h GLU 36 CO -0.11 0.37 -0.40 1.05 -0.73 0.00 0.00 179.01 179.19 3kqf h GLU 37 N 0.10 0.54 -0.26 1.92 4.11 -1.23 -0.89 114.58 118.87 3kqf h GLU 37 Ca 0.06 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.21 3kqf h GLU 37 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3kqf h GLU 37 CO -0.00 0.85 0.16 1.25 0.07 0.00 0.00 179.01 181.33 3kqf h LEU 38 N 0.45 0.31 -1.04 3.06 5.85 -0.82 0.20 115.31 123.31 3kqf h LEU 38 Ca 0.04 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3kqf h LEU 38 Cb 0.89 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3kqf h LEU 38 CO 0.08 0.27 0.65 1.56 -0.34 0.00 0.00 178.44 180.66 3kqf h GLN 39 N 0.33 1.27 -0.56 1.25 4.20 -0.87 -0.75 115.11 119.98 3kqf h GLN 39 Ca 0.09 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3kqf h GLN 39 Cb 0.02 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 3kqf h GLN 39 CO -0.02 0.84 0.12 -0.91 -0.67 0.00 0.00 178.83 178.20 3kqf h ASN 40 N 1.31 0.86 -0.44 1.46 2.35 -0.29 -0.00 115.58 120.83 3kqf h ASN 40 Ca 0.36 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3kqf h ASN 40 Cb -0.13 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 3kqf h ASN 40 CO -0.09 0.88 0.05 0.40 -1.65 0.00 0.00 177.43 177.03 3kqf h ILE 41 N 0.81 1.25 -0.43 2.81 2.04 -0.25 -2.20 117.51 121.54 3kqf h ILE 41 Ca 0.17 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.03 3kqf h ILE 41 Cb 0.36 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3kqf h ILE 41 CO 0.00 0.33 -0.00 -0.07 0.00 0.00 0.00 178.15 178.41 3kqf h LEU 42 N 0.60 0.66 -0.99 1.44 3.38 -0.94 -0.60 115.31 118.85 3kqf h LEU 42 Ca 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3kqf h LEU 42 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3kqf h LEU 42 CO 0.01 0.73 0.20 0.74 0.09 0.00 0.00 178.44 180.21 3kqf h THR 43 N 0.65 1.23 -0.05 0.22 2.02 -0.74 -2.21 112.91 114.03 3kqf h THR 43 Ca 0.13 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3kqf h THR 43 Cb 0.41 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3kqf h THR 43 CO 0.02 0.30 -0.02 -0.61 0.37 0.00 0.00 175.52 175.58 3kqf h GLN 44 N 0.90 0.10 -0.11 6.66 4.15 -0.89 -3.22 115.11 122.70 3kqf h GLN 44 Ca 0.20 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 3kqf h GLN 44 Cb 0.25 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3kqf h GLN 44 CO -0.01 0.48 0.06 0.82 -1.93 0.00 0.00 178.83 178.25 3kqf h ILE 45 N -0.29 1.04 -0.24 2.39 2.04 -1.00 -1.79 117.51 119.66 3kqf h ILE 45 Ca 0.01 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3kqf h ILE 45 Cb 0.45 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3kqf h ILE 45 CO 0.01 0.04 0.18 -1.13 0.00 0.00 0.00 178.15 177.25 3kqf h ASN 46 N 0.15 0.00 -0.36 1.72 -1.24 -1.40 -1.90 115.58 112.55 3kqf h ASN 46 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3kqf h ASN 46 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3kqf h ASN 46 CO -0.01 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.51 3kqf n GLU 47 N -4.42 2.45 -3.58 6.67 -0.58 -0.68 -4.87 120.64 115.63 3kqf n GLU 47 Ca 0.03 -2.18 -0.38 0.00 -0.42 0.00 0.00 57.16 54.21 3kqf n GLU 47 Cb 0.33 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.63 3kqf n GLU 47 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kqf s GLU 48 N -1.54 3.86 -0.08 3.49 2.02 -0.72 -4.98 118.70 120.76 3kqf s GLU 48 Ca 0.38 0.25 0.19 0.00 0.02 0.00 0.00 54.97 55.81 3kqf s GLU 48 Cb 0.22 -3.25 -0.25 0.00 0.10 0.00 0.00 34.13 30.95 3kqf s GLU 48 CO 0.31 0.64 0.39 0.00 0.02 0.00 0.00 175.26 176.62 3kqf n ALA 49 N 2.13 2.07 -0.10 5.21 0.00 -1.26 -4.41 120.51 124.15 3kqf n ALA 49 Ca -0.15 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.30 3kqf n ALA 49 Cb 0.53 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 3kqf n ALA 49 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3kqf h ASN 50 N 0.00 0.76 -2.81 0.00 -1.07 -1.97 -3.42 115.58 107.07 3kqf h ASN 50 Ca -0.26 -0.45 -0.56 0.00 0.07 0.00 0.00 56.30 55.10 3kqf h ASN 50 Cb 1.65 -0.21 -0.03 0.00 -2.07 0.00 0.00 38.32 37.66 3kqf h ASN 50 CO 0.02 1.04 0.96 -0.89 0.07 0.00 0.00 177.43 178.64 3kqf s THR 51 N -4.46 3.99 -0.04 6.14 2.01 -1.26 -4.19 115.64 117.84 3kqf s THR 51 Ca -0.12 1.22 0.11 0.00 0.31 0.00 0.00 61.69 63.20 3kqf s THR 51 Cb 0.09 -3.79 -0.17 0.00 0.01 0.00 0.00 72.50 68.65 3kqf s THR 51 CO 0.83 -0.10 0.20 0.54 -0.69 0.00 0.00 174.62 175.40 3kqf n ARG 52 N 6.69 0.80 -3.77 4.92 1.74 0.79 -4.93 116.66 122.90 3kqf n ARG 52 Ca 0.15 -0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 3kqf n ARG 52 Cb 0.44 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.52 3kqf n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kqf s VAL 53 N -2.67 0.04 -0.06 1.55 1.01 -0.88 -4.10 120.40 115.29 3kqf s VAL 53 Ca -0.04 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.65 3kqf s VAL 53 Cb 0.06 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 3kqf s VAL 53 CO 0.46 -0.19 -0.24 -0.69 0.00 0.00 0.00 175.10 174.44 3kqf s VAL 54 N -0.87 1.98 -0.15 2.92 1.01 -0.41 -2.03 120.40 122.84 3kqf s VAL 54 Ca -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 3kqf s VAL 54 Cb -0.04 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3kqf s VAL 54 CO 0.03 0.55 -0.08 -0.63 0.00 0.00 0.00 175.10 174.97 3kqf s ILE 55 N -0.06 3.40 -0.17 2.22 1.01 0.14 -0.18 121.20 127.57 3kqf s ILE 55 Ca -0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 3kqf s ILE 55 Cb -0.14 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3kqf s ILE 55 CO 0.04 0.50 -0.08 -0.22 0.00 0.00 0.00 174.94 175.18 3kqf s LEU 56 N 0.55 2.91 0.33 2.97 2.96 0.32 -0.76 118.68 127.97 3kqf s LEU 56 Ca -0.06 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3kqf s LEU 56 Cb -0.15 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3kqf s LEU 56 CO 0.03 0.10 0.49 0.28 -1.32 0.00 0.00 176.35 175.93 3kqf s THR 57 N 0.75 0.00 0.20 3.68 -1.32 -0.19 -0.48 115.64 118.29 3kqf s THR 57 Ca -0.03 -1.55 0.11 0.00 -1.21 0.00 0.00 61.69 59.01 3kqf s THR 57 Cb -0.15 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.20 3kqf s THR 57 CO 0.02 0.00 -0.22 -0.83 -2.21 0.00 0.00 174.62 171.37 3kqf s GLY 58 N -3.20 1.73 0.52 6.08 0.00 -1.26 -0.06 107.32 111.12 3kqf s GLY 58 Ca 0.29 -1.65 -0.18 0.00 0.00 0.00 0.00 44.72 43.18 3kqf s GLY 58 CO 0.18 -1.68 1.01 0.00 0.00 0.00 0.00 173.10 172.61 3kqf s ALA 59 N -1.75 2.93 0.00 3.20 0.00 -0.03 -4.81 121.76 121.30 3kqf s ALA 59 Ca 0.22 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3kqf s ALA 59 Cb -0.08 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3kqf s ALA 59 CO 0.11 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3kqf n GLY 60 N -0.97 -2.19 0.32 0.00 0.00 -1.26 -4.56 105.19 96.53 3kqf n GLY 60 Ca 0.08 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.61 3kqf n GLY 60 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kqf n GLU 61 N -0.28 1.29 -0.12 1.61 2.13 -1.26 -4.75 120.64 119.26 3kqf n GLU 61 Ca 0.00 -1.33 -0.21 0.00 0.66 0.00 0.00 57.16 56.28 3kqf n GLU 61 Cb 0.00 -1.14 -0.12 0.00 0.27 0.00 0.00 31.44 30.45 3kqf n GLU 61 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3kqf n LYS 62 N 0.26 0.64 -3.98 5.31 5.02 -1.26 -4.61 118.16 119.54 3kqf n LYS 62 Ca 0.05 0.19 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 3kqf n LYS 62 Cb 0.25 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 3kqf n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqf s ALA 63 N -2.52 0.22 -0.11 7.82 0.00 -1.26 -1.47 121.76 124.44 3kqf s ALA 63 Ca -0.35 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 3kqf s ALA 63 Cb 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3kqf s ALA 63 CO 0.58 0.02 0.07 0.35 0.00 0.00 0.00 175.76 176.78 3kqf h PHE 64 N 6.39 0.00 -1.27 0.00 3.57 -1.03 -3.40 116.94 121.20 3kqf h PHE 64 Ca -0.30 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.34 3kqf h PHE 64 Cb 1.18 0.00 -0.23 0.00 2.79 0.00 0.00 35.95 39.69 3kqf h PHE 64 CO 0.43 0.12 0.16 0.00 -2.23 0.00 0.00 178.31 176.80 3kqf n ALA 66 N 4.94 2.54 0.00 0.00 0.00 -0.57 -1.76 120.51 125.66 3kqf n ALA 66 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3kqf n ALA 66 Cb 0.52 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3kqf n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqf n GLY 67 N 0.90 0.19 3.72 0.00 0.00 -1.02 -4.47 105.19 104.52 3kqf n GLY 67 Ca 0.12 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3kqf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqf s ALA 68 N -1.74 3.84 0.11 4.61 0.00 -1.26 0.23 121.76 127.56 3kqf s ALA 68 Ca 0.00 1.49 -0.32 0.00 0.00 0.00 0.00 51.96 53.13 3kqf s ALA 68 Cb 0.00 -3.65 -0.12 0.00 0.00 0.00 0.00 23.12 19.35 3kqf s ALA 68 CO 0.00 -0.87 1.79 -3.47 0.00 0.00 0.00 175.76 173.21 3kqf n ASP 69 N 3.63 3.81 0.06 0.00 4.64 -1.19 -4.74 116.55 122.75 3kqf n ASP 69 Ca 0.14 1.01 -0.21 0.00 -1.38 0.00 0.00 54.79 54.35 3kqf n ASP 69 Cb 0.37 -1.51 -0.12 0.00 -1.04 0.00 0.00 41.12 38.83 3kqf n ASP 69 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3kqf h LEU 70 N 7.99 0.88 -0.57 -2.67 3.38 -1.94 -2.62 115.31 119.76 3kqf h LEU 70 Ca -0.46 -0.78 -0.15 0.00 0.09 0.00 0.00 57.88 56.59 3kqf h LEU 70 Cb 1.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3kqf h LEU 70 CO 0.94 1.55 -0.48 0.50 0.09 0.00 0.00 178.44 181.04 3kqf h LYS 71 N 0.31 0.59 -0.07 1.13 1.63 -2.00 -0.05 116.57 118.10 3kqf h LYS 71 Ca -0.15 -0.34 -0.15 0.00 -0.85 0.00 0.00 60.65 59.16 3kqf h LYS 71 Cb 1.76 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.40 3kqf h LYS 71 CO 0.21 0.94 -0.63 1.49 -3.45 0.00 0.00 179.45 178.01 3kqf h GLU 72 N 0.47 0.27 0.00 1.90 4.81 -1.97 -3.10 114.58 116.96 3kqf h GLU 72 Ca 0.03 -0.20 -0.19 0.00 -0.13 0.00 0.00 59.36 58.87 3kqf h GLU 72 Cb 1.01 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 3kqf h GLU 72 CO 0.09 0.81 -0.89 -0.09 -0.73 0.00 0.00 179.01 178.21 3kqf h ARG 73 N 0.20 0.00 -0.90 1.92 2.43 -1.35 -3.28 114.38 113.40 3kqf h ARG 73 Ca -0.01 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.41 3kqf h ARG 73 Cb 1.15 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.56 3kqf h ARG 73 CO 0.10 0.89 0.28 0.00 -1.51 0.00 0.00 179.97 179.73 3kqf h ALA 74 N 1.11 1.37 -2.06 2.80 0.00 -0.91 -3.45 119.26 118.12 3kqf h ALA 74 Ca -0.01 0.22 -0.74 0.00 0.00 0.00 0.00 54.91 54.38 3kqf h ALA 74 Cb 1.62 0.30 -0.22 0.00 0.00 0.00 0.00 17.79 19.49 3kqf h ALA 74 CO 0.12 -0.48 -0.05 0.20 0.00 0.00 0.00 179.25 179.04 3kqf s GLY 75 N -3.98 2.00 0.20 0.00 0.00 -1.24 -5.12 107.32 99.19 3kqf s GLY 75 Ca -0.12 -2.47 0.05 0.00 0.00 0.00 0.00 44.72 42.18 3kqf s GLY 75 CO 0.77 1.37 0.17 1.16 0.00 0.00 0.00 173.10 176.57 3kqf n ASN 77 N 5.62 -0.33 -0.23 1.64 0.23 -1.26 -5.05 115.26 115.88 3kqf n ASN 77 Ca -0.10 -2.33 0.05 0.00 -0.53 0.00 0.00 54.58 51.67 3kqf n ASN 77 Cb 0.42 0.99 0.30 0.00 -2.08 0.00 0.00 39.78 39.41 3kqf n ASN 77 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3kqf h GLU 78 N 0.00 0.86 -0.39 -3.83 5.08 -2.01 -2.28 114.58 112.02 3kqf h GLU 78 Ca -0.15 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3kqf h GLU 78 Cb 0.73 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3kqf h GLU 78 CO 0.21 0.57 0.08 1.49 -1.00 0.00 0.00 179.01 180.37 3kqf h GLU 79 N 0.89 0.63 0.00 2.33 4.81 -2.04 -3.00 114.58 118.20 3kqf h GLU 79 Ca 0.34 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 3kqf h GLU 79 Cb 0.19 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3kqf h GLU 79 CO -0.11 0.67 -0.57 1.96 -0.73 0.00 0.00 179.01 180.22 3kqf h GLN 80 N 0.48 0.00 -0.58 1.92 4.20 -1.92 -2.98 115.11 116.23 3kqf h GLN 80 Ca 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3kqf h GLN 80 Cb 0.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3kqf h GLN 80 CO 0.00 0.57 0.27 0.28 -0.67 0.00 0.00 178.83 179.29 3kqf h VAL 81 N 0.00 1.20 0.19 -0.54 2.07 -1.31 -2.85 116.25 115.00 3kqf h VAL 81 Ca -0.01 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3kqf h VAL 81 Cb 1.06 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3kqf h VAL 81 CO 0.07 0.23 -0.09 0.03 0.02 0.00 0.00 177.57 177.83 3kqf h ARG 82 N 0.82 -0.25 -0.36 1.57 3.08 -1.39 0.30 114.38 118.15 3kqf h ARG 82 Ca 0.20 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.30 3kqf h ARG 82 Cb 0.10 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3kqf h ARG 82 CO -0.03 -0.07 0.16 1.25 -1.07 0.00 0.00 179.97 180.22 3kqf h HIS 83 N -0.38 0.29 -0.01 3.04 2.76 -1.61 0.79 115.15 120.03 3kqf h HIS 83 Ca -0.03 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3kqf h HIS 83 Cb 0.29 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 3kqf h HIS 83 CO -0.03 0.15 -0.07 0.00 -1.30 0.00 0.00 177.93 176.68 3kqf h ALA 84 N 1.20 -0.07 -0.78 5.26 0.00 -1.43 -2.52 119.26 120.93 3kqf h ALA 84 Ca 0.15 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kqf h ALA 84 Cb 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3kqf h ALA 84 CO -0.13 -0.56 0.51 0.28 0.00 0.00 0.00 179.25 179.35 3kqf h VAL 85 N -0.12 1.18 0.00 0.00 2.07 0.05 -2.21 116.25 117.22 3kqf h VAL 85 Ca 0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kqf h VAL 85 Cb 0.16 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3kqf h VAL 85 CO -0.08 0.19 0.00 -0.24 0.02 0.00 0.00 177.57 177.46 3kqf n SER 86 N -4.56 0.03 0.00 0.57 2.88 0.27 -1.62 113.62 111.19 3kqf n SER 86 Ca 0.08 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3kqf n SER 86 Cb 0.03 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 3kqf n SER 86 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kqf n ILE 88 N 0.74 0.00 -0.10 2.46 5.41 -0.83 -1.17 119.36 125.87 3kqf n ILE 88 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 3kqf n ILE 88 Cb 0.01 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.94 3kqf n ILE 88 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3kqf h ARG 89 N 0.00 0.04 -0.72 0.38 3.08 -1.58 -2.12 114.38 113.45 3kqf h ARG 89 Ca 0.00 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3kqf h ARG 89 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3kqf h ARG 89 CO 0.00 0.03 0.44 1.15 -1.07 0.00 0.00 179.97 180.51 3kqf h THR 90 N 0.04 1.03 0.00 2.04 2.02 -1.41 -2.49 112.91 114.15 3kqf h THR 90 Ca 0.17 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kqf h THR 90 Cb 0.24 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3kqf h THR 90 CO -0.32 0.15 0.00 0.41 0.37 0.00 0.00 175.52 176.13 3kqf n THR 91 N -4.70 0.02 -1.08 3.16 -1.04 -0.80 -4.73 114.28 105.11 3kqf n THR 91 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3kqf n THR 91 Cb 0.14 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 3kqf n THR 91 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kqf n GLU 93 N 0.93 -1.57 0.00 -2.82 1.02 -0.94 -4.74 120.64 112.51 3kqf n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kqf n GLU 93 Cb 0.01 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3kqf n GLU 93 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3kqf n VAL 95 N -0.74 0.00 0.22 2.62 0.31 -1.26 -1.30 118.33 118.18 3kqf n VAL 95 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3kqf n VAL 95 Cb 0.15 0.00 0.51 0.00 -0.91 0.00 0.00 33.84 33.59 3kqf n VAL 95 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3kqf h GLU 96 N 0.00 0.00 -0.01 5.55 4.11 -1.85 -2.71 114.58 119.67 3kqf h GLU 96 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kqf h GLU 96 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kqf h GLU 96 CO 0.00 0.24 -0.15 1.04 0.07 0.00 0.00 179.01 180.21 3kqf n GLN 97 N -3.98 1.32 -1.94 1.06 6.02 -0.42 -4.93 117.38 114.50 3kqf n GLN 97 Ca -0.02 -0.83 -0.40 0.00 -0.01 0.00 0.00 57.00 55.73 3kqf n GLN 97 Cb 0.32 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 3kqf n GLN 97 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3kqf s LEU 98 N -2.26 4.30 0.32 1.08 2.96 -1.02 -4.91 118.68 119.16 3kqf s LEU 98 Ca 0.30 2.85 0.01 0.00 -0.22 0.00 0.00 54.13 57.06 3kqf s LEU 98 Cb 0.20 -3.75 0.54 0.00 0.50 0.00 0.00 46.19 43.68 3kqf s LEU 98 CO 0.43 -0.82 1.96 -0.65 -1.32 0.00 0.00 176.35 175.95 3kqf h PRO 99 N 2.94 0.87 -6.66 0.98 0.11 -1.90 -3.44 132.00 124.91 3kqf h PRO 99 Ca -0.50 -0.08 -0.50 0.00 0.11 0.00 0.00 66.00 65.02 3kqf h PRO 99 Cb 1.24 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3kqf h PRO 99 CO 0.64 0.63 0.08 -0.65 -0.21 0.00 0.00 178.00 178.49 3kqf s GLN 100 N -5.62 4.05 0.51 1.05 1.11 -1.26 -4.57 119.66 114.93 3kqf s GLN 100 Ca -0.10 0.69 -0.23 0.00 0.01 0.00 0.00 55.36 55.73 3kqf s GLN 100 Cb 0.17 -2.56 -0.06 0.00 -1.01 0.00 0.00 33.01 29.55 3kqf s GLN 100 CO 0.78 0.23 1.36 -2.14 0.01 0.00 0.00 175.29 175.53 3kqf s PRO 101 N -2.70 3.37 -0.14 2.91 0.02 -1.26 -4.84 135.00 132.35 3kqf s PRO 101 Ca 0.51 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.80 3kqf s PRO 101 Cb -0.12 -2.40 0.01 0.00 0.02 0.00 0.00 34.50 32.02 3kqf s PRO 101 CO 0.18 -1.01 -0.21 0.08 -0.33 0.00 0.00 177.00 175.71 3kqf s VAL 102 N -1.29 1.99 -0.22 3.83 1.01 -1.26 -1.29 120.40 123.17 3kqf s VAL 102 Ca 0.67 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3kqf s VAL 102 Cb -0.40 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3kqf s VAL 102 CO 0.49 0.54 0.03 -0.63 0.00 0.00 0.00 175.10 175.53 3kqf s ILE 103 N 0.94 4.14 -0.21 2.22 1.01 0.75 -0.31 121.20 129.74 3kqf s ILE 103 Ca -0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.11 3kqf s ILE 103 Cb -0.15 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 3kqf s ILE 103 CO -0.04 0.39 0.86 0.00 0.00 0.00 0.00 174.94 176.15 3kqf s ALA 104 N 1.27 3.60 -0.57 9.38 0.00 -0.29 -0.52 121.76 134.64 3kqf s ALA 104 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 3kqf s ALA 104 Cb -0.15 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 19.81 3kqf s ALA 104 CO 0.02 -0.84 0.46 0.00 0.00 0.00 0.00 175.76 175.40 3kqf s ALA 105 N 2.63 3.59 -0.63 0.00 0.00 0.37 -0.44 121.76 127.28 3kqf s ALA 105 Ca 0.38 -2.76 -0.23 0.00 0.00 0.00 0.00 51.96 49.35 3kqf s ALA 105 Cb -0.16 -3.02 0.06 0.00 0.00 0.00 0.00 23.12 20.00 3kqf s ALA 105 CO 0.09 -2.02 0.95 0.42 0.00 0.00 0.00 175.76 175.20 3kqf s ILE 106 N 1.04 4.35 -2.60 0.00 1.01 0.25 -4.31 121.20 120.96 3kqf s ILE 106 Ca 0.09 -0.22 0.26 0.00 0.00 0.00 0.00 60.65 60.78 3kqf s ILE 106 Cb -0.24 -4.64 0.46 0.00 0.01 0.00 0.00 42.46 38.05 3kqf s ILE 106 CO -0.02 -1.36 1.61 -0.46 0.00 0.00 0.00 174.94 174.71 3kqf n ASN 107 N 7.61 1.90 0.00 3.58 6.94 -1.26 -1.33 115.26 132.70 3kqf n ASN 107 Ca -0.03 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 3kqf n ASN 107 Cb 0.46 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 3kqf n ASN 107 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqf n GLY 108 N 1.22 1.14 3.77 4.83 0.00 -1.26 -4.36 105.19 110.53 3kqf n GLY 108 Ca 0.18 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3kqf n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kqf s ILE 109 N -1.10 2.21 -0.14 -0.61 -4.36 -0.54 -3.24 121.20 113.41 3kqf s ILE 109 Ca 0.00 0.19 -0.01 0.00 -0.26 0.00 0.00 60.65 60.57 3kqf s ILE 109 Cb 0.00 -3.11 0.04 0.00 1.25 0.00 0.00 42.46 40.63 3kqf s ILE 109 CO 0.00 0.03 -0.04 0.00 0.24 0.00 0.00 174.94 175.17 3kqf s ALA 110 N -1.20 1.25 0.07 2.27 0.00 0.38 -0.64 121.76 123.88 3kqf s ALA 110 Ca 0.58 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3kqf s ALA 110 Cb -0.43 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3kqf s ALA 110 CO 0.56 -0.65 -0.12 -0.51 0.00 0.00 0.00 175.76 175.04 3kqf s LEU 111 N 1.74 2.28 0.00 0.00 1.43 -0.73 -2.09 118.68 121.32 3kqf s LEU 111 Ca 0.03 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3kqf s LEU 111 Cb -0.14 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.69 3kqf s LEU 111 CO -0.07 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 176.98 3kqf n GLY 112 N 1.26 2.42 0.40 -3.19 0.00 -1.11 -0.21 105.19 104.75 3kqf n GLY 112 Ca -0.21 0.34 0.20 0.00 0.00 0.00 0.00 46.02 46.36 3kqf n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kqf h GLY 113 N 0.00 0.28 1.00 -0.02 0.00 -1.88 -0.17 103.07 102.28 3kqf h GLY 113 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 3kqf h GLY 113 CO 0.00 0.02 -0.18 -1.33 0.00 0.00 0.00 176.54 175.04 3kqf h GLY 114 N 0.15 0.85 1.04 4.60 0.00 -0.74 0.45 103.07 109.44 3kqf h GLY 114 Ca 0.34 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 3kqf h GLY 114 CO -0.05 0.70 0.09 -0.84 0.00 0.00 0.00 176.54 176.44 3kqf h THR 115 N 0.58 1.26 -0.56 4.70 2.02 -1.13 -1.74 112.91 118.04 3kqf h THR 115 Ca 0.08 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 3kqf h THR 115 Cb 0.73 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3kqf h THR 115 CO 0.06 0.38 0.06 -0.33 0.37 0.00 0.00 175.52 176.05 3kqf h GLU 116 N 0.92 0.92 -0.28 6.66 5.08 -0.86 -1.07 114.58 125.94 3kqf h GLU 116 Ca 0.18 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3kqf h GLU 116 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3kqf h GLU 116 CO 0.01 0.87 0.15 1.25 -1.00 0.00 0.00 179.01 180.30 3kqf h LEU 117 N 0.86 0.36 -1.44 1.33 5.85 0.11 -1.68 115.31 120.70 3kqf h LEU 117 Ca 0.17 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3kqf h LEU 117 Cb 0.42 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3kqf h LEU 117 CO 0.01 0.35 0.40 0.77 -0.34 0.00 0.00 178.44 179.63 3kqf h SER 118 N 0.34 0.64 0.64 1.25 4.64 -0.80 -2.11 113.55 118.15 3kqf h SER 118 Ca 0.10 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3kqf h SER 118 Cb 0.08 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3kqf h SER 118 CO -0.02 0.45 -0.42 -0.07 -0.87 0.00 0.00 176.83 175.91 3kqf h LEU 119 N 0.75 0.00 -0.49 5.97 3.38 -0.75 -2.90 115.31 121.28 3kqf h LEU 119 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3kqf h LEU 119 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kqf h LEU 119 CO -0.06 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3kqf h ALA 120 N 1.58 1.00 -2.36 1.53 0.00 -0.62 -3.45 119.26 116.94 3kqf h ALA 120 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3kqf h ALA 120 Cb 0.85 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.73 3kqf h ALA 120 CO 0.05 0.00 0.36 0.00 0.00 0.00 0.00 179.25 179.67 3kqf h ASP 122 N -0.24 0.52 -5.13 0.00 3.32 -0.96 -3.46 116.42 110.47 3kqf h ASP 122 Ca -0.45 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3kqf h ASP 122 Cb 1.23 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.57 3kqf h ASP 122 CO 0.55 0.48 0.04 0.72 -1.72 0.00 0.00 179.24 179.31 3kqf s PHE 123 N -5.81 0.11 -0.00 4.55 -0.12 -1.21 -5.05 117.98 110.45 3kqf s PHE 123 Ca -0.13 -0.52 0.04 0.00 -0.05 0.00 0.00 56.93 56.27 3kqf s PHE 123 Cb 0.11 0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3kqf s PHE 123 CO 0.74 -1.11 -0.12 1.03 -0.05 0.00 0.00 175.22 175.71 3kqf s ARG 124 N -3.97 0.97 -0.07 1.99 0.52 -1.26 -1.14 118.95 115.98 3kqf s ARG 124 Ca 0.17 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3kqf s ARG 124 Cb -0.03 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.50 3kqf s ARG 124 CO 0.08 0.25 -0.18 0.42 0.02 0.00 0.00 175.30 175.89 3kqf s ILE 125 N -0.40 1.57 0.09 1.52 1.01 0.42 -1.60 121.20 123.81 3kqf s ILE 125 Ca 0.04 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 60.02 3kqf s ILE 125 Cb -0.05 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 3kqf s ILE 125 CO -0.00 0.45 -0.22 0.00 0.00 0.00 0.00 174.94 175.17 3kqf s ALA 126 N 0.32 1.94 0.49 9.38 0.00 0.05 -0.58 121.76 133.35 3kqf s ALA 126 Ca -0.12 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 3kqf s ALA 126 Cb -0.15 -0.31 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 3kqf s ALA 126 CO 0.05 0.42 1.07 0.00 0.00 0.00 0.00 175.76 177.29 3kqf s ALA 127 N -1.02 2.87 0.52 0.00 0.00 -0.44 -1.46 121.76 122.23 3kqf s ALA 127 Ca 0.09 0.69 0.29 0.00 0.00 0.00 0.00 51.96 53.03 3kqf s ALA 127 Cb -0.10 -3.29 1.43 0.00 0.00 0.00 0.00 23.12 21.16 3kqf s ALA 127 CO 0.04 -0.42 1.89 1.49 0.00 0.00 0.00 175.76 178.76 3kqf h GLU 128 N 1.63 0.05 -0.02 0.00 4.22 -1.09 -1.27 114.58 118.09 3kqf h GLU 128 Ca -0.49 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3kqf h GLU 128 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3kqf h GLU 128 CO 0.59 0.03 0.00 -1.13 -2.18 0.00 0.00 179.01 176.32 3kqf n SER 129 N -4.31 2.11 -4.77 1.04 3.41 -1.26 -4.43 113.62 105.40 3kqf n SER 129 Ca 0.18 -1.70 -0.30 0.00 -0.26 0.00 0.00 58.87 56.78 3kqf n SER 129 Cb 0.90 -0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.95 3kqf n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kqf s ALA 130 N -2.00 2.08 0.03 7.33 0.00 -0.48 -4.77 121.76 123.95 3kqf s ALA 130 Ca 0.34 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 3kqf s ALA 130 Cb 0.21 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 20.17 3kqf s ALA 130 CO 0.32 -1.87 0.24 -1.54 0.00 0.00 0.00 175.76 172.91 3kqf s SER 131 N -3.67 -0.05 0.02 0.00 1.04 -1.20 -2.23 113.70 107.61 3kqf s SER 131 Ca 0.61 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.84 3kqf s SER 131 Cb -0.16 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 3kqf s SER 131 CO 0.55 -0.53 -0.04 -0.76 0.98 0.00 0.00 173.24 173.44 3kqf s LEU 132 N -1.85 2.18 -0.06 2.42 1.02 -0.42 -0.47 118.68 121.49 3kqf s LEU 132 Ca -0.08 -0.38 -0.30 0.00 0.02 0.00 0.00 54.13 53.39 3kqf s LEU 132 Cb -0.03 -0.04 0.11 0.00 0.02 0.00 0.00 46.19 46.26 3kqf s LEU 132 CO -0.01 -0.18 0.98 -0.83 0.02 0.00 0.00 176.35 176.32 3kqf s GLY 133 N -1.09 -0.41 -0.48 -3.19 0.00 -0.89 -0.36 107.32 100.90 3kqf s GLY 133 Ca -0.09 1.23 0.04 0.00 0.00 0.00 0.00 44.72 45.89 3kqf s GLY 133 CO -0.00 0.43 0.23 1.08 0.00 0.00 0.00 173.10 174.83 3kqf s LEU 134 N -2.32 4.06 0.00 0.66 1.43 -1.26 -2.74 118.68 118.51 3kqf s LEU 134 Ca 0.06 -2.84 0.13 0.00 -1.03 0.00 0.00 54.13 50.45 3kqf s LEU 134 Cb -0.01 -1.53 0.42 0.00 0.03 0.00 0.00 46.19 45.10 3kqf s LEU 134 CO -0.07 -0.26 1.33 0.35 0.23 0.00 0.00 176.35 177.93 3kqf n THR 135 N 3.33 0.42 -0.30 5.49 -2.24 -1.26 -4.28 114.28 115.45 3kqf n THR 135 Ca 0.05 -0.46 0.11 0.00 -2.27 0.00 0.00 64.05 61.49 3kqf n THR 135 Cb 0.34 0.27 0.27 0.00 -2.10 0.00 0.00 70.33 69.12 3kqf n THR 135 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kqf h GLU 136 N 2.16 0.43 0.00 -0.78 3.07 -1.88 -0.37 114.58 117.20 3kqf h GLU 136 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kqf h GLU 136 Cb 0.49 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3kqf h GLU 136 CO 0.00 0.28 -0.02 1.79 -1.40 0.00 0.00 179.01 179.66 3kqf h THR 137 N 0.44 0.09 0.00 1.13 1.35 -1.71 -1.15 112.91 113.06 3kqf h THR 137 Ca 0.52 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 3kqf h THR 137 Cb 0.93 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kqf h THR 137 CO -0.48 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 175.52 3kqf h THR 138 N 0.00 0.00 -0.35 6.82 1.35 -1.35 -2.09 112.91 117.29 3kqf h THR 138 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3kqf h THR 138 Cb 0.34 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3kqf h THR 138 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kqf n LEU 139 N -2.57 3.11 -1.50 3.87 4.77 -0.50 -4.99 117.00 119.20 3kqf n LEU 139 Ca 0.02 -2.14 -0.15 0.00 -0.03 0.00 0.00 56.01 53.71 3kqf n LEU 139 Cb 0.29 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3kqf n LEU 139 CO 0.24 0.73 -0.17 0.00 -1.33 0.00 0.00 177.39 176.86 3kqf n ALA 140 N 0.42 -0.36 -4.17 -1.18 0.00 -0.79 -5.01 120.51 109.41 3kqf n ALA 140 Ca 0.13 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 3kqf n ALA 140 Cb 0.50 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 3kqf n ALA 140 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3kqf n ILE 141 N -3.52 0.00 -4.33 0.00 -5.35 -0.80 -4.99 119.36 100.36 3kqf n ILE 141 Ca -0.17 -1.31 -0.17 0.00 -0.27 0.00 0.00 62.75 60.84 3kqf n ILE 141 Cb 0.58 0.39 -0.10 0.00 -1.74 0.00 0.00 39.64 38.77 3kqf n ILE 141 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 3kqf s ILE 142 N -2.23 1.18 0.22 7.28 -4.36 -1.26 -2.49 121.20 119.53 3kqf s ILE 142 Ca 0.07 -2.06 -0.32 0.00 -0.26 0.00 0.00 60.65 58.08 3kqf s ILE 142 Cb 0.00 -2.25 -0.13 0.00 1.25 0.00 0.00 42.46 41.33 3kqf s ILE 142 CO 0.05 -0.41 1.61 -2.65 0.24 0.00 0.00 174.94 173.78 3kqf n PRO 143 N -0.40 2.47 -0.11 0.37 -0.02 -1.26 -4.89 135.00 131.15 3kqf n PRO 143 Ca -0.06 0.89 0.07 0.00 -2.02 0.00 0.00 63.50 62.37 3kqf n PRO 143 Cb 0.63 -2.67 0.12 0.00 -0.02 0.00 0.00 33.50 31.56 3kqf n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqf n GLY 144 N 3.16 4.05 2.71 -1.23 0.00 -1.26 -4.62 105.19 108.00 3kqf n GLY 144 Ca 0.14 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 3kqf n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqf n ALA 145 N -0.88 3.11 -0.29 4.61 0.00 -1.26 -4.76 120.51 121.04 3kqf n ALA 145 Ca 0.12 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.56 3kqf n ALA 145 Cb 0.55 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3kqf n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqf n GLY 146 N -0.45 0.76 0.35 0.00 0.00 -1.26 -4.87 105.19 99.72 3kqf n GLY 146 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 3kqf n GLY 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kqf h GLY 147 N 0.00 1.55 2.00 -0.02 0.00 -1.93 0.32 103.07 104.98 3kqf h GLY 147 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3kqf h GLY 147 CO 0.00 0.18 0.00 -1.30 0.00 0.00 0.00 176.54 175.42 3kqf n THR 148 N -4.63 0.82 -0.09 4.70 -2.24 -1.26 -2.47 114.28 109.11 3kqf n THR 148 Ca 0.17 0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.96 3kqf n THR 148 Cb 0.31 -1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 67.40 3kqf n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kqf n GLN 149 N -2.10 0.39 0.06 -0.78 1.13 -0.19 -4.51 117.38 111.38 3kqf n GLN 149 Ca 0.03 0.16 -0.08 0.00 -1.94 0.00 0.00 57.00 55.17 3kqf n GLN 149 Cb 0.24 -1.18 0.07 0.00 0.11 0.00 0.00 30.24 29.48 3kqf n GLN 149 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kqf h ARG 150 N -0.57 0.32 0.20 -1.09 3.08 -0.56 -3.07 114.38 112.69 3kqf h ARG 150 Ca -0.46 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.34 3kqf h ARG 150 Cb 1.43 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.53 3kqf h ARG 150 CO -0.25 0.88 -0.10 1.25 -1.07 0.00 0.00 179.97 180.68 3kqf h LEU 151 N 0.23 -0.23 -1.44 3.04 5.85 -1.67 -2.09 115.31 119.00 3kqf h LEU 151 Ca -0.02 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 3kqf h LEU 151 Cb 1.22 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3kqf h LEU 151 CO 0.11 0.03 -0.07 1.55 -0.34 0.00 0.00 178.44 179.72 3kqf h PRO 152 N -0.49 0.29 -0.60 5.25 0.13 -1.78 -0.98 132.00 133.82 3kqf h PRO 152 Ca -0.03 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3kqf h PRO 152 Cb 0.37 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 3kqf h PRO 152 CO 0.04 0.37 0.26 0.00 -0.23 0.00 0.00 178.00 178.45 3kqf h ARG 153 N 0.28 0.86 0.12 0.86 3.08 -1.43 -0.23 114.38 117.92 3kqf h ARG 153 Ca 0.06 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 3kqf h ARG 153 Cb 0.30 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.20 3kqf h ARG 153 CO 0.01 0.69 -1.17 1.25 -1.07 0.00 0.00 179.97 179.68 3kqf h LEU 154 N 0.86 0.40 -2.33 3.04 5.85 -0.78 -3.41 115.31 118.95 3kqf h LEU 154 Ca 0.21 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3kqf h LEU 154 Cb 0.13 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3kqf h LEU 154 CO -0.02 1.53 0.00 2.30 -0.34 0.00 0.00 178.44 181.90 3kqf n ILE 155 N -4.02 0.64 0.00 4.05 -5.35 -0.43 -4.89 119.36 109.37 3kqf n ILE 155 Ca -0.21 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.45 3kqf n ILE 155 Cb 0.86 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 3kqf n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kqf n GLY 156 N 0.13 0.37 0.33 3.28 0.00 -0.10 -4.56 105.19 104.64 3kqf n GLY 156 Ca 0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 3kqf n GLY 156 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kqf h VAL 157 N 0.00 1.24 -0.19 1.61 3.04 -1.92 -2.67 116.25 117.36 3kqf h VAL 157 Ca 0.00 -0.79 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 3kqf h VAL 157 Cb 0.00 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 29.72 3kqf h VAL 157 CO 0.00 0.32 0.08 1.23 -1.01 0.00 0.00 177.57 178.19 3kqf h GLY 158 N 1.07 0.30 1.48 3.17 0.00 -1.95 -0.40 103.07 106.75 3kqf h GLY 158 Ca 0.23 -0.16 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 3kqf h GLY 158 CO -0.02 0.15 -0.77 -0.09 0.00 0.00 0.00 176.54 175.81 3kqf h ARG 159 N 0.17 0.51 -0.73 4.80 9.65 -1.80 -2.08 114.38 124.90 3kqf h ARG 159 Ca 0.07 -0.43 -0.03 0.00 -1.10 0.00 0.00 59.98 58.49 3kqf h ARG 159 Cb 0.15 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 3kqf h ARG 159 CO -0.01 1.06 0.34 0.00 2.80 0.00 0.00 179.97 184.17 3kqf h ALA 160 N 0.81 0.94 0.05 2.80 0.00 -1.36 -1.07 119.26 121.43 3kqf h ALA 160 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kqf h ALA 160 Cb 1.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kqf h ALA 160 CO 0.14 0.51 -0.02 0.87 0.00 0.00 0.00 179.25 180.75 3kqf h LYS 161 N 1.03 -0.06 -0.25 0.00 1.57 -1.03 -0.28 116.57 117.54 3kqf h LYS 161 Ca 0.25 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3kqf h LYS 161 Cb 0.13 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3kqf h LYS 161 CO -0.03 0.10 -0.09 1.49 -0.57 0.00 0.00 179.45 180.35 3kqf h GLU 162 N -0.21 -0.04 -0.55 3.15 4.22 -1.14 0.15 114.58 120.15 3kqf h GLU 162 Ca -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.36 3kqf h GLU 162 Cb 0.19 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3kqf h GLU 162 CO 0.01 -0.03 0.03 -0.07 -2.18 0.00 0.00 179.01 176.77 3kqf h LEU 163 N -0.05 0.92 -0.09 1.64 3.38 -1.15 -2.02 115.31 117.95 3kqf h LEU 163 Ca 0.13 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 57.63 3kqf h LEU 163 Cb 0.24 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3kqf h LEU 163 CO -0.28 0.98 -0.63 0.40 0.09 0.00 0.00 178.44 179.00 3kqf h ILE 164 N 0.82 1.35 -0.54 1.22 2.04 -0.82 0.11 117.51 121.69 3kqf h ILE 164 Ca 0.16 -1.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.03 3kqf h ILE 164 Cb 0.49 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 3kqf h ILE 164 CO 0.02 0.59 0.15 1.88 0.00 0.00 0.00 178.15 180.79 3kqf h TYR 165 N 0.19 0.88 0.01 1.37 0.05 -0.73 -3.09 116.97 115.65 3kqf h TYR 165 Ca -0.05 -0.10 -0.21 0.00 0.05 0.00 0.00 58.73 58.42 3kqf h TYR 165 Cb 1.28 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 3kqf h TYR 165 CO 0.11 0.76 -1.00 1.79 -1.05 0.00 0.00 178.16 178.78 3kqf h THR 166 N 0.75 1.69 -0.62 -2.88 1.35 -1.44 -3.47 112.91 108.29 3kqf h THR 166 Ca 0.17 -3.33 -0.14 0.00 -0.55 0.00 0.00 66.41 62.56 3kqf h THR 166 Cb 0.31 2.82 -0.03 0.00 -1.73 0.00 0.00 68.15 69.51 3kqf h THR 166 CO -0.00 0.95 -0.15 0.61 -0.25 0.00 0.00 175.52 176.68 3kqf n GLY 167 N 1.31 0.53 3.82 5.82 0.00 0.36 -4.80 105.19 112.23 3kqf n GLY 167 Ca -0.01 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 3kqf n GLY 167 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kqf s ARG 168 N -3.38 4.26 0.02 1.61 1.70 -1.19 -4.20 118.95 117.77 3kqf s ARG 168 Ca 0.00 0.94 -0.17 0.00 -0.47 0.00 0.00 55.73 56.03 3kqf s ARG 168 Cb 0.00 -2.70 -0.06 0.00 -0.57 0.00 0.00 34.95 31.62 3kqf s ARG 168 CO 0.00 0.28 0.48 1.03 -1.08 0.00 0.00 175.30 176.01 3kqf s ARG 169 N -2.33 4.06 0.15 3.89 0.52 -1.26 -4.44 118.95 119.54 3kqf s ARG 169 Ca 0.49 0.56 0.09 0.00 -0.52 0.00 0.00 55.73 56.34 3kqf s ARG 169 Cb -0.15 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3kqf s ARG 169 CO 0.20 0.64 -0.21 0.96 0.02 0.00 0.00 175.30 176.91 3kqf s ILE 170 N -0.98 1.94 0.90 1.52 -4.36 0.51 -4.94 121.20 115.78 3kqf s ILE 170 Ca 0.26 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 58.70 3kqf s ILE 170 Cb -0.18 -1.84 0.13 0.00 1.25 0.00 0.00 42.46 41.82 3kqf s ILE 170 CO 0.16 -0.17 1.10 -0.94 0.24 0.00 0.00 174.94 175.32 3kqf s SER 171 N -2.42 3.55 0.34 4.36 1.04 -1.26 -1.30 113.70 118.01 3kqf s SER 171 Ca 0.14 1.29 0.02 0.00 0.48 0.00 0.00 55.95 57.89 3kqf s SER 171 Cb -0.08 -1.97 0.60 0.00 0.10 0.00 0.00 66.02 64.68 3kqf s SER 171 CO 0.07 -2.56 1.94 0.00 0.98 0.00 0.00 173.24 173.67 3kqf h ALA 172 N -1.50 1.45 -0.52 5.32 0.00 -1.66 -0.94 119.26 121.41 3kqf h ALA 172 Ca -0.50 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3kqf h ALA 172 Cb 1.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3kqf h ALA 172 CO 0.58 0.44 0.01 1.96 0.00 0.00 0.00 179.25 182.24 3kqf h GLN 173 N 0.73 0.92 -0.20 0.00 7.50 -1.88 0.03 115.11 122.22 3kqf h GLN 173 Ca 0.18 -0.28 -0.17 0.00 0.50 0.00 0.00 58.65 58.88 3kqf h GLN 173 Cb 0.09 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 3kqf h GLN 173 CO -0.02 0.93 -0.58 1.49 -1.50 0.00 0.00 178.83 179.15 3kqf h GLU 174 N 0.79 0.64 -0.95 1.46 4.81 -1.85 -2.07 114.58 117.41 3kqf h GLU 174 Ca 0.15 -0.42 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3kqf h GLU 174 Cb 0.51 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3kqf h GLU 174 CO 0.02 1.03 0.62 0.00 -0.73 0.00 0.00 179.01 179.96 3kqf h ALA 175 N 0.88 1.39 -0.37 2.92 0.00 -0.93 -1.46 119.26 121.69 3kqf h ALA 175 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kqf h ALA 175 Cb 1.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3kqf h ALA 175 CO 0.11 0.52 0.08 -0.22 0.00 0.00 0.00 179.25 179.75 3kqf h LYS 176 N 1.20 0.60 -0.97 0.00 3.64 -0.77 0.14 116.57 120.41 3kqf h LYS 176 Ca 0.38 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3kqf h LYS 176 Cb 0.00 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 3kqf h LYS 176 CO -0.11 0.65 0.63 1.49 -2.27 0.00 0.00 179.45 179.83 3kqf h GLU 177 N 0.45 1.10 -0.00 1.90 4.81 -0.66 -2.33 114.58 119.86 3kqf h GLU 177 Ca 0.12 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kqf h GLU 177 Cb 0.32 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3kqf h GLU 177 CO 0.00 0.73 -0.24 0.66 -0.73 0.00 0.00 179.01 179.44 3kqf n TYR 178 N -4.53 0.00 -0.74 0.92 4.01 -0.62 -4.92 117.16 111.28 3kqf n TYR 178 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3kqf n TYR 178 Cb 0.18 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 3kqf n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kqf n GLY 179 N 1.47 0.56 0.19 2.72 0.00 -0.51 -4.68 105.19 104.94 3kqf n GLY 179 Ca 0.07 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 3kqf n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kqf h LEU 180 N 0.00 0.66 -8.50 0.99 5.85 -1.02 -3.43 115.31 109.86 3kqf h LEU 180 Ca 0.00 -0.46 -0.66 0.00 0.84 0.00 0.00 57.88 57.60 3kqf h LEU 180 Cb 0.00 -0.20 -0.30 0.00 0.37 0.00 0.00 40.66 40.53 3kqf h LEU 180 CO 0.00 1.23 -0.88 0.68 -0.34 0.00 0.00 178.44 179.13 3kqf s VAL 181 N -3.57 1.90 0.02 1.05 -7.23 -1.14 -4.81 120.40 106.61 3kqf s VAL 181 Ca -0.07 -1.01 0.10 0.00 -1.81 0.00 0.00 61.98 59.19 3kqf s VAL 181 Cb 0.09 -1.58 -0.11 0.00 0.56 0.00 0.00 36.38 35.33 3kqf s VAL 181 CO 0.87 0.53 1.31 -0.33 -0.31 0.00 0.00 175.10 177.18 3kqf h GLU 182 N 5.72 0.00 -3.73 4.82 3.07 -1.57 -3.37 114.58 119.51 3kqf h GLU 182 Ca -0.38 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.30 3kqf h GLU 182 Cb 1.14 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.83 3kqf h GLU 182 CO 0.47 0.80 -0.63 -0.06 -1.40 0.00 0.00 179.01 178.20 3kqf s PHE 183 N -2.80 0.10 -0.05 4.33 0.08 -1.07 -5.04 117.98 113.54 3kqf s PHE 183 Ca 0.02 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.87 3kqf s PHE 183 Cb 0.09 -0.09 0.02 0.00 -0.57 0.00 0.00 43.02 42.47 3kqf s PHE 183 CO 0.79 -0.17 -0.08 0.08 -0.10 0.00 0.00 175.22 175.74 3kqf s VAL 184 N -1.00 0.79 0.12 -0.44 1.01 -1.26 -0.77 120.40 118.85 3kqf s VAL 184 Ca -0.11 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3kqf s VAL 184 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3kqf s VAL 184 CO 0.00 0.27 -0.03 0.68 0.00 0.00 0.00 175.10 176.02 3kqf s VAL 185 N 0.69 0.61 0.52 2.92 -7.23 -0.53 -4.95 120.40 112.43 3kqf s VAL 185 Ca -0.11 -1.94 -0.22 0.00 -1.81 0.00 0.00 61.98 57.89 3kqf s VAL 185 Cb -0.14 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.89 3kqf s VAL 185 CO 0.02 -0.72 1.28 -2.65 -0.31 0.00 0.00 175.10 172.72 3kqf n PRO 186 N -0.10 1.64 -0.27 4.82 -0.02 -1.26 -0.54 135.00 139.27 3kqf n PRO 186 Ca -0.10 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3kqf n PRO 186 Cb 0.62 -2.47 0.13 0.00 -0.02 0.00 0.00 33.50 31.76 3kqf n PRO 186 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kqf h VAL 187 N 1.47 0.25 0.00 -1.45 2.07 -1.93 0.26 116.25 116.91 3kqf h VAL 187 Ca -0.50 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kqf h VAL 187 Cb 1.31 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3kqf h VAL 187 CO 0.57 0.01 0.00 0.00 0.02 0.00 0.00 177.57 178.16 3kqf n HIS 188 N -5.46 0.00 0.39 1.57 1.44 -1.26 -2.59 115.22 109.31 3kqf n HIS 188 Ca 0.13 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.89 3kqf n HIS 188 Cb 0.45 -0.46 0.07 0.00 0.12 0.00 0.00 29.99 30.16 3kqf n HIS 188 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kqf n LEU 189 N -1.46 2.12 -0.04 2.39 4.77 0.06 -4.71 117.00 120.14 3kqf n LEU 189 Ca 0.04 -1.15 -0.09 0.00 -0.03 0.00 0.00 56.01 54.78 3kqf n LEU 189 Cb 0.15 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3kqf n LEU 189 CO 0.12 0.43 0.85 0.25 -1.33 0.00 0.00 177.39 177.71 3kqf h LEU 190 N 2.27 -0.10 -0.12 2.23 5.85 -1.35 -1.14 115.31 122.95 3kqf h LEU 190 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kqf h LEU 190 Cb 0.52 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3kqf h LEU 190 CO 0.00 -0.02 0.06 -0.08 -0.34 0.00 0.00 178.44 178.06 3kqf h GLU 191 N 0.05 0.18 -0.05 1.25 4.81 -1.84 -2.08 114.58 116.89 3kqf h GLU 191 Ca 0.09 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3kqf h GLU 191 Cb 0.12 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kqf h GLU 191 CO -0.16 0.22 -0.37 1.05 -0.73 0.00 0.00 179.01 179.02 3kqf h GLU 192 N 0.08 0.09 -0.23 1.92 4.11 -1.82 -1.42 114.58 117.32 3kqf h GLU 192 Ca 0.04 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 59.24 3kqf h GLU 192 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kqf h GLU 192 CO -0.01 0.46 -0.63 -0.22 0.07 0.00 0.00 179.01 178.68 3kqf h LYS 193 N 0.08 0.82 -0.61 1.06 1.63 -1.15 -0.39 116.57 118.01 3kqf h LYS 193 Ca 0.01 -0.57 -0.06 0.00 -0.85 0.00 0.00 60.65 59.18 3kqf h LYS 193 Cb 0.70 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 3kqf h LYS 193 CO 0.05 1.19 0.14 0.00 -3.45 0.00 0.00 179.45 177.38 3kqf h ALA 194 N 0.67 0.80 -0.41 5.00 0.00 -1.13 -1.59 119.26 122.60 3kqf h ALA 194 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3kqf h ALA 194 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3kqf h ALA 194 CO 0.13 0.52 -0.01 0.82 0.00 0.00 0.00 179.25 180.72 3kqf h ILE 195 N 0.89 1.26 -0.33 0.00 2.04 -1.21 -0.97 117.51 119.19 3kqf h ILE 195 Ca 0.19 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.05 3kqf h ILE 195 Cb 0.37 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3kqf h ILE 195 CO 0.00 0.35 0.11 -0.08 0.00 0.00 0.00 178.15 178.54 3kqf h GLU 196 N 0.56 0.25 -0.35 2.37 4.81 -0.79 0.13 114.58 121.56 3kqf h GLU 196 Ca 0.11 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3kqf h GLU 196 Cb 0.50 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3kqf h GLU 196 CO 0.02 0.16 0.05 0.82 -0.73 0.00 0.00 179.01 179.34 3kqf h ILE 197 N 0.26 1.24 -0.99 2.32 2.04 -1.20 -2.45 117.51 118.72 3kqf h ILE 197 Ca 0.15 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.19 3kqf h ILE 197 Cb 0.12 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3kqf h ILE 197 CO -0.16 0.29 0.65 0.00 0.00 0.00 0.00 178.15 178.93 3kqf h ALA 198 N 0.90 1.36 -0.78 1.87 0.00 -0.84 -1.71 119.26 120.06 3kqf h ALA 198 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kqf h ALA 198 Cb 0.37 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3kqf h ALA 198 CO 0.01 0.53 0.37 0.93 0.00 0.00 0.00 179.25 181.09 3kqf h GLU 199 N 1.24 1.14 0.10 0.00 5.08 -0.56 0.22 114.58 121.80 3kqf h GLU 199 Ca 0.40 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kqf h GLU 199 Cb 0.03 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3kqf h GLU 199 CO -0.13 0.89 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.50 3kqf h LYS 200 N 1.11 -0.13 -0.63 2.33 1.63 -0.96 -1.68 116.57 118.25 3kqf h LYS 200 Ca 0.27 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.09 3kqf h LYS 200 Cb 0.13 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3kqf h LYS 200 CO -0.03 -0.04 0.41 0.82 -3.45 0.00 0.00 179.45 177.16 3kqf h ILE 201 N -0.18 1.14 0.00 2.00 2.04 -0.96 -1.94 117.51 119.61 3kqf h ILE 201 Ca -0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3kqf h ILE 201 Cb 0.15 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3kqf h ILE 201 CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3kqf h ALA 202 N 1.24 1.00 0.00 1.87 0.00 -0.36 -1.95 119.26 121.07 3kqf h ALA 202 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kqf h ALA 202 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kqf h ALA 202 CO -0.07 0.00 -0.35 -1.13 0.00 0.00 0.00 179.25 177.70 3kqf n SER 203 N -2.80 0.41 -4.93 0.00 3.41 -0.65 -4.90 113.62 104.16 3kqf n SER 203 Ca -0.01 0.07 -0.25 0.00 -0.26 0.00 0.00 58.87 58.42 3kqf n SER 203 Cb 0.15 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3kqf n SER 203 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kqf s ASN 204 N -3.30 5.33 -0.04 4.04 0.01 -0.73 -4.87 114.94 115.37 3kqf s ASN 204 Ca 0.11 0.47 -0.31 0.00 -0.71 0.00 0.00 52.86 52.42 3kqf s ASN 204 Cb 0.17 -1.37 -0.09 0.00 0.41 0.00 0.00 41.25 40.37 3kqf s ASN 204 CO 0.65 -1.20 2.00 0.61 -1.51 0.00 0.00 177.10 177.65 3kqf n GLY 205 N -2.59 1.61 0.30 0.66 0.00 -1.26 -4.89 105.19 99.01 3kqf n GLY 205 Ca 0.06 0.83 -0.02 0.00 0.00 0.00 0.00 46.02 46.88 3kqf n GLY 205 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqf h PRO 206 N 11.08 0.80 -0.48 1.61 0.13 -1.91 0.38 132.00 143.60 3kqf h PRO 206 Ca -0.48 -0.15 -0.06 0.00 -0.87 0.00 0.00 66.00 64.44 3kqf h PRO 206 Cb 1.25 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3kqf h PRO 206 CO 0.95 0.71 0.07 0.82 -0.23 0.00 0.00 178.00 180.32 3kqf h ILE 207 N 0.77 1.25 -0.33 -3.56 2.04 -1.91 -1.79 117.51 113.98 3kqf h ILE 207 Ca 0.17 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3kqf h ILE 207 Cb 0.27 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3kqf h ILE 207 CO -0.00 0.34 0.03 0.00 0.00 0.00 0.00 178.15 178.52 3kqf h ALA 208 N 0.96 0.44 -0.65 1.87 0.00 -1.83 -0.91 119.26 119.14 3kqf h ALA 208 Ca 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3kqf h ALA 208 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kqf h ALA 208 CO 0.01 0.17 0.34 0.28 0.00 0.00 0.00 179.25 180.05 3kqf h VAL 209 N 0.39 1.21 -0.33 0.00 2.07 -0.91 0.12 116.25 118.80 3kqf h VAL 209 Ca 0.10 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3kqf h VAL 209 Cb 0.39 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kqf h VAL 209 CO 0.01 0.24 0.11 0.03 0.02 0.00 0.00 177.57 177.98 3kqf h ARG 210 N 0.90 0.51 -0.34 1.57 3.08 -1.19 -1.24 114.38 117.67 3kqf h ARG 210 Ca 0.23 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3kqf h ARG 210 Cb 0.07 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3kqf h ARG 210 CO -0.03 0.54 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.30 3kqf h LEU 211 N 0.39 0.51 -0.56 3.04 3.38 -0.95 -2.12 115.31 118.99 3kqf h LEU 211 Ca 0.11 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kqf h LEU 211 Cb 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3kqf h LEU 211 CO -0.01 0.61 0.16 0.00 0.09 0.00 0.00 178.44 179.29 3kqf h ALA 212 N 1.46 0.74 -0.70 1.53 0.00 -0.34 -0.32 119.26 121.62 3kqf h ALA 212 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kqf h ALA 212 Cb 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3kqf h ALA 212 CO 0.02 0.42 0.41 -0.22 0.00 0.00 0.00 179.25 179.87 3kqf h LYS 213 N 0.79 0.96 -0.31 0.00 3.64 -0.83 -1.09 116.57 119.74 3kqf h LYS 213 Ca 0.18 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3kqf h LYS 213 Cb 0.31 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3kqf h LYS 213 CO -0.00 0.70 0.07 1.49 -2.27 0.00 0.00 179.45 179.44 3kqf h GLU 214 N 0.96 0.49 -0.15 1.90 4.57 -1.14 -0.85 114.58 120.36 3kqf h GLU 214 Ca 0.25 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 3kqf h GLU 214 Cb -0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3kqf h GLU 214 CO -0.04 0.56 0.04 0.00 -1.18 0.00 0.00 179.01 178.39 3kqf h ALA 215 N 0.91 0.20 0.16 2.92 0.00 -0.90 -2.07 119.26 120.48 3kqf h ALA 215 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kqf h ALA 215 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kqf h ALA 215 CO 0.00 -0.16 -0.08 0.82 0.00 0.00 0.00 179.25 179.83 3kqf h ILE 216 N 0.05 0.94 -0.61 0.00 2.04 -1.22 -0.19 117.51 118.51 3kqf h ILE 216 Ca 0.05 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3kqf h ILE 216 Cb 0.26 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3kqf h ILE 216 CO 0.00 0.11 0.19 0.28 0.00 0.00 0.00 178.15 178.74 3kqf h SER 217 N -0.46 0.86 0.12 1.72 0.02 -1.18 -2.25 113.55 112.38 3kqf h SER 217 Ca -0.02 -0.14 -0.30 0.00 -0.84 0.00 0.00 61.79 60.48 3kqf h SER 217 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3kqf h SER 217 CO 0.04 0.81 -1.57 0.78 -1.14 0.00 0.00 176.83 175.75 3kqf h ASN 218 N 0.90 0.39 -0.33 3.07 2.35 -1.47 -3.40 115.58 117.09 3kqf h ASN 218 Ca 0.20 -0.86 -0.03 0.00 -0.55 0.00 0.00 56.30 55.07 3kqf h ASN 218 Cb 0.26 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3kqf h ASN 218 CO -0.01 1.68 0.13 1.23 -1.65 0.00 0.00 177.43 178.81 3kqf h GLY 219 N 0.28 0.61 2.00 2.83 0.00 -1.02 -2.41 103.07 105.35 3kqf h GLY 219 Ca -0.34 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3kqf h GLY 219 CO 0.06 0.29 0.00 4.51 0.00 0.00 0.00 176.54 181.40 3kqf n ILE 220 N -4.35 1.00 1.32 2.60 0.13 -0.85 -2.61 119.36 116.60 3kqf n ILE 220 Ca 0.03 0.32 0.14 0.00 -1.10 0.00 0.00 62.75 62.13 3kqf n ILE 220 Cb 0.17 -1.21 0.55 0.00 -0.84 0.00 0.00 39.64 38.31 3kqf n ILE 220 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kqf n GLN 221 N -1.96 0.60 -1.77 9.51 1.13 -0.91 -4.92 117.38 119.06 3kqf n GLN 221 Ca 0.02 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 3kqf n GLN 221 Cb 0.17 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3kqf n GLN 221 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3kqf n VAL 222 N -1.00 0.00 -1.83 5.09 0.24 -1.07 -5.14 118.33 114.62 3kqf n VAL 222 Ca 0.13 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.11 3kqf n VAL 222 Cb 0.30 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.70 3kqf n VAL 222 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3kqf s ASP 223 N -0.77 5.50 0.20 -1.34 -4.77 -1.26 -4.84 116.67 109.38 3kqf s ASP 223 Ca 0.00 1.79 -0.11 0.00 -3.30 0.00 0.00 52.55 50.93 3kqf s ASP 223 Cb 0.00 -2.53 0.21 0.00 -1.09 0.00 0.00 42.92 39.52 3kqf s ASP 223 CO 0.00 -1.36 1.78 0.25 0.70 0.00 0.00 175.17 176.54 3kqf h LEU 224 N -0.02 0.40 -0.41 2.11 5.85 -1.98 -0.93 115.31 120.33 3kqf h LEU 224 Ca -0.46 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.35 3kqf h LEU 224 Cb 1.22 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3kqf h LEU 224 CO 0.56 0.26 0.16 -0.74 -0.34 0.00 0.00 178.44 178.35 3kqf h HIS 225 N 0.54 0.29 -0.47 1.25 2.76 -1.98 0.53 115.15 118.08 3kqf h HIS 225 Ca 0.27 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.36 3kqf h HIS 225 Cb 0.22 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3kqf h HIS 225 CO -0.11 0.13 -0.12 1.15 -1.30 0.00 0.00 177.93 177.68 3kqf h THR 226 N 0.34 1.27 -0.98 6.26 2.02 -1.86 -2.68 112.91 117.28 3kqf h THR 226 Ca 0.19 -1.25 0.07 0.00 0.77 0.00 0.00 66.41 66.19 3kqf h THR 226 Cb 0.15 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 3kqf h THR 226 CO -0.17 0.43 0.64 1.23 0.37 0.00 0.00 175.52 178.01 3kqf h GLY 227 N 0.75 1.48 1.74 2.16 0.00 -0.70 -0.79 103.07 107.71 3kqf h GLY 227 Ca 0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3kqf h GLY 227 CO 0.05 0.32 -0.13 1.41 0.00 0.00 0.00 176.54 178.20 3kqf h LEU 228 N 1.14 0.30 -2.12 3.11 3.38 -0.66 -1.07 115.31 119.39 3kqf h LEU 228 Ca 0.43 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3kqf h LEU 228 Cb 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kqf h LEU 228 CO -0.17 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.82 3kqf n GLN 229 N -4.25 0.59 0.00 1.13 1.13 -0.30 -1.37 117.38 114.30 3kqf n GLN 229 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3kqf n GLN 229 Cb 0.29 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3kqf n GLN 229 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kqf n GLU 231 N 0.79 0.00 -0.27 -1.09 2.13 -0.41 -2.07 120.64 119.72 3kqf n GLU 231 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 3kqf n GLU 231 Cb 0.29 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.15 3kqf n GLU 231 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3kqf h LYS 232 N 0.00 0.71 -0.27 5.31 3.64 -1.50 0.64 116.57 125.10 3kqf h LYS 232 Ca 0.00 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 3kqf h LYS 232 Cb 0.00 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3kqf h LYS 232 CO 0.00 0.47 -0.49 0.37 -2.27 0.00 0.00 179.45 177.53 3kqf h GLN 233 N 0.73 0.81 -0.97 1.90 5.75 -1.70 -2.89 115.11 118.74 3kqf h GLN 233 Ca 0.36 -0.51 0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3kqf h GLN 233 Cb 0.32 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.87 3kqf h GLN 233 CO -0.23 1.14 0.64 0.00 -2.65 0.00 0.00 178.83 177.73 3kqf h ALA 234 N 0.66 1.32 -0.36 3.38 0.00 -1.71 -1.97 119.26 120.59 3kqf h ALA 234 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kqf h ALA 234 Cb 1.10 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kqf h ALA 234 CO 0.11 0.61 0.18 -0.92 0.00 0.00 0.00 179.25 179.23 3kqf h TYR 235 N 1.29 0.49 -0.04 0.00 3.20 -0.70 -0.21 116.97 120.99 3kqf h TYR 235 Ca 0.37 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.24 3kqf h TYR 235 Cb -0.11 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 3kqf h TYR 235 CO -0.00 0.36 0.04 0.93 -1.64 0.00 0.00 178.16 177.85 3kqf h GLU 236 N 0.50 0.00 0.00 1.82 4.39 -1.15 -1.39 114.58 118.75 3kqf h GLU 236 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3kqf h GLU 236 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kqf h GLU 236 CO -0.02 0.00 0.00 0.78 -1.16 0.00 0.00 179.01 178.61 3kqf h GLY 237 N 0.00 0.00 0.00 -3.84 0.00 -1.03 -3.22 103.07 94.97 3kqf h GLY 237 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3kqf h GLY 237 CO -0.00 0.00 -1.92 3.33 0.00 0.00 0.00 176.54 177.95 3kqf n VAL 238 N -2.39 0.52 -0.28 4.60 0.24 -0.56 -4.69 118.33 115.78 3kqf n VAL 238 Ca 0.03 -0.52 0.05 0.00 -2.04 0.00 0.00 64.34 61.86 3kqf n VAL 238 Cb 0.31 -0.22 0.19 0.00 -1.47 0.00 0.00 33.84 32.65 3kqf n VAL 238 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3kqf h ILE 239 N 0.00 0.77 -0.26 1.34 2.04 -1.48 -2.60 117.51 117.32 3kqf h ILE 239 Ca -0.21 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3kqf h ILE 239 Cb 1.35 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3kqf h ILE 239 CO 0.01 0.11 0.00 1.41 0.00 0.00 0.00 178.15 179.68 3kqf n HIS 240 N -4.87 0.33 -2.67 1.37 8.25 -1.26 -4.97 115.22 111.41 3kqf n HIS 240 Ca 0.15 -0.17 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3kqf n HIS 240 Cb 0.38 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 3kqf n HIS 240 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kqf s THR 241 N -1.67 3.99 0.28 1.59 -4.23 -0.98 -4.96 115.64 109.67 3kqf s THR 241 Ca 0.34 1.49 0.05 0.00 -1.18 0.00 0.00 61.69 62.40 3kqf s THR 241 Cb 0.19 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 70.31 3kqf s THR 241 CO 0.27 -0.02 1.68 0.11 -0.54 0.00 0.00 174.62 176.12 3kqf h LYS 242 N 2.55 0.30 -0.82 3.99 6.56 -1.30 -3.06 116.57 124.80 3kqf h LYS 242 Ca -0.48 -0.14 0.05 0.00 -1.06 0.00 0.00 60.65 59.02 3kqf h LYS 242 Cb 1.20 -0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.80 3kqf h LYS 242 CO 0.63 0.66 0.51 -0.44 -2.06 0.00 0.00 179.45 178.74 3kqf h ASP 243 N 0.25 0.80 -0.83 0.86 3.32 -1.94 0.35 116.42 119.24 3kqf h ASP 243 Ca 0.02 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.14 3kqf h ASP 243 Cb 0.83 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 3kqf h ASP 243 CO 0.07 0.52 0.51 -0.09 -1.72 0.00 0.00 179.24 178.53 3kqf h ARG 244 N 0.94 0.92 -0.40 3.56 2.43 -1.79 0.22 114.38 120.25 3kqf h ARG 244 Ca 0.35 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.36 3kqf h ARG 244 Cb 0.13 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3kqf h ARG 244 CO -0.16 0.61 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.68 3kqf h LEU 245 N 0.95 0.83 -1.14 3.80 3.38 -1.35 -2.43 115.31 119.35 3kqf h LEU 245 Ca 0.36 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kqf h LEU 245 Cb 0.14 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3kqf h LEU 245 CO -0.16 1.04 0.58 -0.08 0.09 0.00 0.00 178.44 179.91 3kqf h GLU 246 N 0.62 1.14 -0.28 1.13 4.57 -0.21 0.39 114.58 121.93 3kqf h GLU 246 Ca 0.09 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3kqf h GLU 246 Cb 0.71 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3kqf h GLU 246 CO 0.05 0.75 0.15 0.78 -1.18 0.00 0.00 179.01 179.56 3kqf h GLY 247 N 1.17 0.42 1.61 1.92 0.00 -0.39 0.63 103.07 108.43 3kqf h GLY 247 Ca 0.33 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 3kqf h GLY 247 CO -0.08 0.19 -0.29 1.41 0.00 0.00 0.00 176.54 177.77 3kqf h LEU 248 N 0.33 0.45 -0.05 3.11 3.38 -1.08 -1.47 115.31 119.98 3kqf h LEU 248 Ca 0.10 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3kqf h LEU 248 Cb 0.08 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.71 3kqf h LEU 248 CO -0.02 0.73 -0.62 1.56 0.09 0.00 0.00 178.44 180.19 3kqf h GLN 249 N 0.39 0.51 -0.34 1.13 4.20 -0.51 -2.12 115.11 118.37 3kqf h GLN 249 Ca 0.05 -0.48 -0.07 0.00 0.06 0.00 0.00 58.65 58.21 3kqf h GLN 249 Cb 0.71 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3kqf h GLN 249 CO 0.05 1.11 -0.10 0.00 -0.67 0.00 0.00 178.83 179.23 3kqf h ALA 250 N 0.41 1.20 -0.31 3.87 0.00 0.27 0.12 119.26 124.83 3kqf h ALA 250 Ca -0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3kqf h ALA 250 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3kqf h ALA 250 CO 0.12 0.51 -0.19 0.35 0.00 0.00 0.00 179.25 180.05 3kqf h PHE 251 N 0.53 0.78 -0.14 0.00 3.57 -1.30 0.26 116.94 120.64 3kqf h PHE 251 Ca 0.10 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3kqf h PHE 251 Cb 0.49 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3kqf h PHE 251 CO 0.02 0.92 0.02 -0.22 -2.23 0.00 0.00 178.31 176.81 3kqf h LYS 252 N 0.42 0.23 0.00 1.11 3.64 -1.14 -2.60 116.57 118.23 3kqf h LYS 252 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kqf h LYS 252 Cb 0.73 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3kqf h LYS 252 CO 0.05 0.42 0.00 0.39 -2.27 0.00 0.00 179.45 178.04 3kqf n GLU 253 N -4.81 0.08 -3.52 1.90 4.71 0.39 -4.92 120.64 114.48 3kqf n GLU 253 Ca -0.05 0.15 -0.21 0.00 -0.01 0.00 0.00 57.16 57.04 3kqf n GLU 253 Cb 0.18 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.16 3kqf n GLU 253 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kqf n LYS 254 N -1.44 -3.43 -4.09 3.49 5.02 0.72 -5.01 118.16 113.42 3kqf n LYS 254 Ca 0.06 0.69 -0.10 0.00 -2.02 0.00 0.00 58.31 56.94 3kqf n LYS 254 Cb 0.20 -5.23 -0.08 0.00 -0.02 0.00 0.00 35.03 29.90 3kqf n LYS 254 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3kqf s ARG 255 N -5.39 1.18 0.12 1.97 1.70 -0.11 -5.04 118.95 113.39 3kqf s ARG 255 Ca 0.26 -1.40 -0.31 0.00 -0.47 0.00 0.00 55.73 53.81 3kqf s ARG 255 Cb -0.06 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 3kqf s ARG 255 CO 0.79 -0.41 1.50 0.99 -1.08 0.00 0.00 175.30 177.09 3kqf s THR 256 N -4.06 3.01 0.00 4.99 2.01 -1.26 -4.48 115.64 115.85 3kqf s THR 256 Ca 0.27 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.94 3kqf s THR 256 Cb 0.05 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.12 3kqf s THR 256 CO 0.06 0.04 0.00 -0.81 -0.69 0.00 0.00 174.62 173.22 3kqf n PRO 257 N 4.30 3.04 -3.62 4.92 -0.04 -1.26 -4.96 135.00 137.38 3kqf n PRO 257 Ca 0.13 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 3kqf n PRO 257 Cb 0.41 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 3kqf n PRO 257 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kqf s TYR 259 N 0.00 -0.23 -0.03 0.54 2.02 -1.26 -5.05 117.35 113.34 3kqf s TYR 259 Ca 0.00 0.48 0.05 0.00 -0.37 0.00 0.00 57.07 57.23 3kqf s TYR 259 Cb 0.00 0.45 0.07 0.00 -0.40 0.00 0.00 41.96 42.08 3kqf s TYR 259 CO 0.00 -0.16 0.91 0.36 -1.57 0.00 0.00 175.55 175.08 3kqf n LYS 260 N 1.21 1.15 -3.02 -0.62 2.85 -1.26 -5.01 118.16 113.46 3kqf n LYS 260 Ca -0.08 -1.39 -0.15 0.00 -1.05 0.00 0.00 58.31 55.63 3kqf n LYS 260 Cb 0.57 -0.88 0.04 0.00 -0.65 0.00 0.00 35.03 34.11 3kqf n LYS 260 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kqf n GLY 261 N -0.49 -0.07 0.00 2.58 0.00 -1.26 -5.10 105.19 100.86 3kqf n GLY 261 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3kqf n GLY 261 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50