#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqf n GLN 5 N 0.00 0.00 0.00 3.23 10.64 -1.26 -4.89 117.38 125.10 3kqf n GLN 5 Ca 0.00 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.27 3kqf n GLN 5 Cb 0.00 -0.23 -0.06 0.00 -0.86 0.00 0.00 30.24 29.09 3kqf n GLN 5 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kqf n ASN 6 N 0.00 1.44 -3.92 2.61 3.02 -1.26 -4.97 115.26 112.18 3kqf n ASN 6 Ca 0.00 -1.22 -0.10 0.00 -0.03 0.00 0.00 54.58 53.23 3kqf n ASN 6 Cb 0.22 0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 40.03 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 -2.61 0.09 0.05 2.41 1.01 -1.26 -1.14 121.20 119.75 3kqf s ILE 7 Ca 0.12 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.09 3kqf s ILE 7 Cb 0.16 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 3kqf s ILE 7 CO 0.67 -0.41 -0.17 -0.94 0.00 0.00 0.00 174.94 174.09 3kqf s SER 8 N -1.33 3.89 -0.12 3.58 1.04 -0.78 -4.78 113.70 115.20 3kqf s SER 8 Ca -0.14 -0.41 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 3kqf s SER 8 Cb -0.08 -0.65 0.03 0.00 0.10 0.00 0.00 66.02 65.42 3kqf s SER 8 CO 0.00 0.25 -0.03 -0.69 0.98 0.00 0.00 173.24 173.75 3kqf s VAL 9 N -0.96 0.77 -0.02 5.02 1.01 -1.26 -1.38 120.40 123.58 3kqf s VAL 9 Ca 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3kqf s VAL 9 Cb -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3kqf s VAL 9 CO 0.06 0.22 0.08 -1.81 0.00 0.00 0.00 175.10 173.65 3kqf s ASP 10 N 1.80 -0.02 -0.56 3.32 1.11 -0.37 -4.98 116.67 116.96 3kqf s ASP 10 Ca 0.03 -0.00 -0.27 0.00 0.18 0.00 0.00 52.55 52.49 3kqf s ASP 10 Cb -0.14 0.18 0.03 0.00 1.07 0.00 0.00 42.92 44.07 3kqf s ASP 10 CO -0.07 -0.15 1.14 -0.31 1.18 0.00 0.00 175.17 176.96 3kqf s TYR 11 N -0.49 2.66 0.17 4.23 1.51 -1.26 -0.07 117.35 124.11 3kqf s TYR 11 Ca -0.06 0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 56.29 3kqf s TYR 11 Cb -0.04 -4.42 0.05 0.00 -0.11 0.00 0.00 41.96 37.45 3kqf s TYR 11 CO 0.00 -1.51 1.52 0.00 -1.11 0.00 0.00 175.55 174.46 3kqf h ALA 12 N 9.47 0.68 -2.76 3.71 0.00 -1.59 -3.47 119.26 125.30 3kqf h ALA 12 Ca -0.25 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 3kqf h ALA 12 Cb 1.06 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 3kqf h ALA 12 CO 1.16 0.67 -0.20 0.95 0.00 0.00 0.00 179.25 181.83 3kqf s THR 13 N -4.38 0.02 0.12 0.00 -4.23 -1.23 -5.06 115.64 100.87 3kqf s THR 13 Ca -0.10 -1.38 -0.35 0.00 -1.18 0.00 0.00 61.69 58.69 3kqf s THR 13 Cb 0.12 -2.05 -0.15 0.00 1.34 0.00 0.00 72.50 71.76 3kqf s THR 13 CO 0.86 -0.10 1.53 -2.65 -0.54 0.00 0.00 174.62 173.73 3kqf n PRO 14 N -0.32 1.84 -0.77 3.99 -0.02 -1.26 -1.69 135.00 136.77 3kqf n PRO 14 Ca -0.04 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3kqf n PRO 14 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.38 0.00 -3.96 6.00 8.25 -1.26 -4.99 115.22 122.65 3kqf n HIS 15 Ca 0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 3kqf n HIS 15 Cb 0.26 -0.36 -0.14 0.00 1.12 0.00 0.00 29.99 30.86 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 -3.15 2.77 -0.17 1.59 1.01 -0.68 -0.14 120.40 121.62 3kqf s VAL 16 Ca 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 3kqf s VAL 16 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3kqf s VAL 16 CO 0.00 -0.02 0.13 0.54 0.00 0.00 0.00 175.10 175.75 3kqf s VAL 17 N 1.23 5.40 -0.19 2.92 0.11 -0.75 -1.39 120.40 127.73 3kqf s VAL 17 Ca -0.05 0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 3kqf s VAL 17 Cb -0.19 -3.43 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 3kqf s VAL 17 CO -0.03 0.50 -0.04 -0.75 -3.33 0.00 0.00 175.10 171.45 3kqf s LYS 18 N -0.08 3.51 -0.22 1.54 2.20 0.90 -1.02 119.74 126.56 3kqf s LYS 18 Ca 0.10 -0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 3kqf s LYS 18 Cb -0.11 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 3kqf s LYS 18 CO -0.00 0.01 -0.02 0.42 -0.36 0.00 0.00 175.35 175.40 3kqf s ILE 19 N 0.95 3.64 -0.15 5.43 1.01 -0.42 -1.24 121.20 130.42 3kqf s ILE 19 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3kqf s ILE 19 Cb -0.15 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 3kqf s ILE 19 CO 0.01 0.42 -0.14 -0.55 0.00 0.00 0.00 174.94 174.68 3kqf s SER 20 N 1.34 3.83 -0.17 3.58 0.15 -0.48 -0.84 113.70 121.09 3kqf s SER 20 Ca 0.04 -0.42 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 3kqf s SER 20 Cb -0.14 -1.59 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 3kqf s SER 20 CO -0.01 0.10 1.19 -0.76 1.20 0.00 0.00 173.24 174.97 3kqf s LEU 21 N 0.71 4.17 -0.78 3.45 1.43 0.13 -1.87 118.68 125.92 3kqf s LEU 21 Ca -0.06 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 3kqf s LEU 21 Cb -0.15 -3.54 0.22 0.00 0.03 0.00 0.00 46.19 42.75 3kqf s LEU 21 CO 0.02 -0.72 0.76 -3.20 0.23 0.00 0.00 176.35 173.44 3kqf n ASN 22 N 6.39 3.93 -2.81 2.29 2.85 -0.29 -0.91 115.26 126.71 3kqf n ASN 22 Ca 0.13 -3.29 -0.11 0.00 -0.11 0.00 0.00 54.58 51.20 3kqf n ASN 22 Cb 0.45 -0.86 0.02 0.00 1.24 0.00 0.00 39.78 40.64 3kqf n ASN 22 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3kqf n ARG 23 N 1.62 1.09 -0.30 1.20 1.74 -1.26 -4.67 116.66 116.09 3kqf n ARG 23 Ca 0.24 -3.09 0.13 0.00 -0.77 0.00 0.00 57.85 54.36 3kqf n ARG 23 Cb 0.37 -1.24 0.29 0.00 -1.02 0.00 0.00 32.46 30.86 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 2.90 0.27 0.00 5.56 5.08 -1.87 -0.16 114.58 126.37 3kqf h GLU 24 Ca -0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3kqf h GLU 24 Cb 1.13 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3kqf h GLU 24 CO 0.43 0.18 -0.15 0.00 -1.00 0.00 0.00 179.01 178.47 3kqf h ARG 25 N 0.28 0.00 -0.67 2.33 3.08 -1.98 -2.33 114.38 115.09 3kqf h ARG 25 Ca 0.54 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.29 3kqf h ARG 25 Cb 1.07 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.94 3kqf h ARG 25 CO -0.59 0.15 0.28 1.04 -1.07 0.00 0.00 179.97 179.78 3kqf n GLN 26 N -4.21 2.52 -3.62 0.04 3.00 -0.21 -4.93 117.38 109.96 3kqf n GLN 26 Ca -0.02 -3.07 -0.27 0.00 -0.01 0.00 0.00 57.00 53.62 3kqf n GLN 26 Cb 0.23 -2.05 0.02 0.00 0.00 0.00 0.00 30.24 28.44 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 -0.86 -1.17 -3.30 -1.58 0.00 -0.88 -2.00 120.51 110.73 3kqf n ALA 27 Ca 0.44 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.83 3kqf n ALA 27 Cb 1.34 -3.91 -0.00 0.00 0.00 0.00 0.00 19.45 16.88 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 -2.62 -3.84 -4.77 0.00 3.02 -0.37 -1.16 115.26 105.52 3kqf n ASN 28 Ca 0.00 -0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 53.86 3kqf n ASN 28 Cb 0.54 -3.18 0.04 0.00 -0.61 0.00 0.00 39.78 36.58 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 -2.69 5.15 -0.81 6.41 1.04 -0.85 -4.25 113.70 117.70 3kqf s SER 29 Ca 0.37 2.09 -0.24 0.00 0.48 0.00 0.00 55.95 58.66 3kqf s SER 29 Cb -0.20 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.42 3kqf s SER 29 CO 0.46 -1.61 1.22 -0.76 0.98 0.00 0.00 173.24 173.54 3kqf s LEU 30 N -4.63 3.80 0.56 2.42 1.43 0.73 -4.76 118.68 118.23 3kqf s LEU 30 Ca 0.69 -1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3kqf s LEU 30 Cb -0.23 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.52 3kqf s LEU 30 CO 0.38 -1.56 0.80 -0.94 0.23 0.00 0.00 176.35 175.26 3kqf s SER 31 N 4.02 5.32 0.15 2.29 1.04 -1.26 -2.94 113.70 122.31 3kqf s SER 31 Ca 0.34 0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.75 3kqf s SER 31 Cb -0.08 -1.06 0.01 0.00 0.10 0.00 0.00 66.02 64.99 3kqf s SER 31 CO 0.04 -1.13 1.80 -0.07 0.98 0.00 0.00 173.24 174.87 3kqf h LEU 32 N 0.01 0.40 -0.46 2.42 3.38 -1.98 -1.08 115.31 118.00 3kqf h LEU 32 Ca -0.43 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.54 3kqf h LEU 32 Cb 1.29 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3kqf h LEU 32 CO 0.55 0.29 0.30 0.00 0.09 0.00 0.00 178.44 179.66 3kqf h ALA 33 N 1.15 0.59 -0.30 1.53 0.00 -1.99 -0.24 119.26 119.99 3kqf h ALA 33 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3kqf h ALA 33 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3kqf h ALA 33 CO -0.04 0.01 0.15 1.25 0.00 0.00 0.00 179.25 180.62 3kqf h LEU 34 N 0.60 0.39 -0.99 0.00 6.46 -1.89 -2.54 115.31 117.34 3kqf h LEU 34 Ca 0.18 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 3kqf h LEU 34 Cb -0.04 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 39.74 3kqf h LEU 34 CO -0.05 0.39 0.65 -0.07 -0.62 0.00 0.00 178.44 178.73 3kqf h LEU 35 N 0.36 1.10 -0.26 2.25 3.38 -0.82 0.11 115.31 121.42 3kqf h LEU 35 Ca 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3kqf h LEU 35 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kqf h LEU 35 CO -0.01 0.77 0.11 -0.33 0.09 0.00 0.00 178.44 179.06 3kqf h GLU 36 N 1.28 0.40 -0.02 1.13 5.08 -0.83 -1.01 114.58 120.60 3kqf h GLU 36 Ca 0.38 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.54 3kqf h GLU 36 Cb -0.06 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3kqf h GLU 36 CO -0.11 0.43 -0.61 1.05 -1.00 0.00 0.00 179.01 178.77 3kqf h GLU 37 N 0.28 0.07 -0.22 2.33 4.11 -1.28 -1.07 114.58 118.80 3kqf h GLU 37 Ca 0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 3kqf h GLU 37 Cb 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3kqf h GLU 37 CO -0.01 0.66 0.05 1.25 0.07 0.00 0.00 179.01 181.04 3kqf h LEU 38 N 0.05 0.34 -1.14 3.06 5.85 -0.80 0.12 115.31 122.79 3kqf h LEU 38 Ca -0.01 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3kqf h LEU 38 Cb 1.09 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 3kqf h LEU 38 CO 0.08 0.48 0.58 1.56 -0.34 0.00 0.00 178.44 180.81 3kqf h GLN 39 N 0.18 1.13 -0.59 1.25 4.20 -1.04 -1.00 115.11 119.24 3kqf h GLN 39 Ca 0.07 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3kqf h GLN 39 Cb 0.28 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3kqf h GLN 39 CO 0.00 0.75 0.20 -0.91 -0.67 0.00 0.00 178.83 178.20 3kqf h ASN 40 N 1.17 0.84 -0.34 1.46 2.35 -0.54 0.09 115.58 120.61 3kqf h ASN 40 Ca 0.33 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3kqf h ASN 40 Cb -0.10 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 3kqf h ASN 40 CO -0.08 0.81 0.03 0.40 -1.65 0.00 0.00 177.43 176.94 3kqf h ILE 41 N 0.83 1.25 -0.55 2.81 2.04 -0.60 -1.80 117.51 121.49 3kqf h ILE 41 Ca 0.19 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 3kqf h ILE 41 Cb 0.26 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3kqf h ILE 41 CO -0.01 0.30 0.10 -0.07 0.00 0.00 0.00 178.15 178.47 3kqf h LEU 42 N 0.41 0.81 -0.72 1.44 3.38 -1.06 0.41 115.31 119.97 3kqf h LEU 42 Ca 0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3kqf h LEU 42 Cb 0.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3kqf h LEU 42 CO 0.01 0.81 0.24 0.74 0.09 0.00 0.00 178.44 180.33 3kqf h THR 43 N 0.82 1.26 -0.18 0.22 2.02 -0.77 -2.29 112.91 114.00 3kqf h THR 43 Ca 0.17 -0.88 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 3kqf h THR 43 Cb 0.34 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3kqf h THR 43 CO 0.00 0.35 -0.00 -0.61 0.37 0.00 0.00 175.52 175.63 3kqf h GLN 44 N 1.06 0.31 -0.28 6.66 4.15 -0.66 -3.20 115.11 123.15 3kqf h GLN 44 Ca 0.23 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 3kqf h GLN 44 Cb 0.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3kqf h GLN 44 CO -0.01 0.53 0.14 0.82 -1.93 0.00 0.00 178.83 178.39 3kqf h ILE 45 N 0.06 1.10 -0.53 2.39 2.04 -0.81 -2.26 117.51 119.51 3kqf h ILE 45 Ca 0.05 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.78 3kqf h ILE 45 Cb 0.39 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3kqf h ILE 45 CO 0.01 0.11 0.37 -1.13 0.00 0.00 0.00 178.15 177.50 3kqf h ASN 46 N 0.39 0.12 -0.02 1.72 -1.24 -1.40 -1.63 115.58 113.52 3kqf h ASN 46 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 3kqf h ASN 46 Cb 0.03 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3kqf h ASN 46 CO -0.02 0.07 -0.01 -0.62 -1.29 0.00 0.00 177.43 175.57 3kqf n GLU 47 N -4.42 2.05 -3.32 6.67 -0.58 -0.85 -4.86 120.64 115.32 3kqf n GLU 47 Ca 0.09 -1.54 -0.37 0.00 -0.42 0.00 0.00 57.16 54.92 3kqf n GLU 47 Cb 0.50 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.85 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 -2.01 4.09 -0.20 3.49 2.02 -0.62 -4.98 118.70 120.50 3kqf s GLU 48 Ca 0.32 0.62 0.16 0.00 0.02 0.00 0.00 54.97 56.08 3kqf s GLU 48 Cb 0.20 -3.11 -0.23 0.00 0.10 0.00 0.00 34.13 31.09 3kqf s GLU 48 CO 0.32 0.58 0.04 0.00 0.02 0.00 0.00 175.26 176.21 3kqf n ALA 49 N 1.36 1.52 -0.26 5.21 0.00 -1.26 -4.47 120.51 122.61 3kqf n ALA 49 Ca -0.09 -1.26 -0.06 0.00 0.00 0.00 0.00 53.44 52.03 3kqf n ALA 49 Cb 0.51 -0.15 0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 0.93 -2.94 0.00 -1.07 -1.97 -3.41 115.58 107.12 3kqf h ASN 50 Ca -0.53 -0.14 -0.56 0.00 0.07 0.00 0.00 56.30 55.14 3kqf h ASN 50 Cb 2.16 -0.24 -0.03 0.00 -2.07 0.00 0.00 38.32 38.14 3kqf h ASN 50 CO 0.02 0.81 0.87 -0.89 0.07 0.00 0.00 177.43 178.30 3kqf s THR 51 N -5.68 4.24 -0.04 6.14 2.01 -1.26 -4.20 115.64 116.84 3kqf s THR 51 Ca -0.13 1.52 0.11 0.00 0.31 0.00 0.00 61.69 63.50 3kqf s THR 51 Cb 0.14 -3.98 -0.16 0.00 0.01 0.00 0.00 72.50 68.51 3kqf s THR 51 CO 0.81 -0.10 0.19 0.54 -0.69 0.00 0.00 174.62 175.36 3kqf n ARG 52 N 6.31 0.91 -3.74 4.92 1.74 0.80 -4.93 116.66 122.66 3kqf n ARG 52 Ca 0.13 -0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 3kqf n ARG 52 Cb 0.45 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.64 0.04 -0.07 1.55 1.01 -0.93 -4.08 120.40 115.27 3kqf s VAL 53 Ca -0.04 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3kqf s VAL 53 Cb 0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 3kqf s VAL 53 CO 0.46 -0.18 -0.23 -0.69 0.00 0.00 0.00 175.10 174.47 3kqf s VAL 54 N -0.95 1.93 -0.15 2.92 1.01 -0.44 -1.81 120.40 122.90 3kqf s VAL 54 Ca -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3kqf s VAL 54 Cb -0.04 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3kqf s VAL 54 CO 0.04 0.53 -0.05 -0.63 0.00 0.00 0.00 175.10 174.99 3kqf s ILE 55 N 0.13 3.76 -0.17 2.22 1.01 -0.19 0.21 121.20 128.17 3kqf s ILE 55 Ca -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3kqf s ILE 55 Cb -0.15 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 3kqf s ILE 55 CO 0.06 0.49 -0.07 -0.22 0.00 0.00 0.00 174.94 175.20 3kqf s LEU 56 N 0.40 2.96 0.31 2.97 2.96 0.95 -1.30 118.68 127.93 3kqf s LEU 56 Ca -0.05 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.54 3kqf s LEU 56 Cb -0.14 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 3kqf s LEU 56 CO 0.03 0.11 0.45 0.28 -1.32 0.00 0.00 176.35 175.90 3kqf s THR 57 N 0.71 0.00 0.15 3.68 -1.32 -0.02 -0.37 115.64 118.46 3kqf s THR 57 Ca -0.03 -1.59 0.09 0.00 -1.21 0.00 0.00 61.69 58.95 3kqf s THR 57 Cb -0.15 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 3kqf s THR 57 CO 0.02 0.00 -0.17 -0.83 -2.21 0.00 0.00 174.62 171.44 3kqf s GLY 58 N -3.18 1.71 0.50 6.08 0.00 -1.26 0.19 107.32 111.35 3kqf s GLY 58 Ca 0.29 -1.45 -0.20 0.00 0.00 0.00 0.00 44.72 43.36 3kqf s GLY 58 CO 0.17 -1.45 1.05 0.00 0.00 0.00 0.00 173.10 172.87 3kqf s ALA 59 N -1.43 2.85 0.00 3.20 0.00 -0.09 -4.81 121.76 121.47 3kqf s ALA 59 Ca 0.21 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3kqf s ALA 59 Cb -0.09 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3kqf s ALA 59 CO 0.12 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3kqf n GLY 60 N -0.26 -2.49 0.45 0.00 0.00 -1.26 -4.57 105.19 97.05 3kqf n GLY 60 Ca 0.09 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.56 3kqf n GLY 60 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kqf n GLU 61 N -0.83 2.86 -0.11 1.61 0.28 -1.26 -4.70 120.64 118.50 3kqf n GLU 61 Ca 0.00 -1.96 -0.15 0.00 -0.16 0.00 0.00 57.16 54.89 3kqf n GLU 61 Cb 0.00 -1.24 -0.10 0.00 1.43 0.00 0.00 31.44 31.53 3kqf n GLU 61 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kqf n LYS 62 N 0.07 0.53 -3.95 3.44 5.02 -1.26 -4.62 118.16 117.39 3kqf n LYS 62 Ca 0.09 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.35 3kqf n LYS 62 Cb 0.42 -1.43 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.43 0.25 -0.10 7.82 0.00 -1.26 -1.33 121.76 124.71 3kqf s ALA 63 Ca -0.29 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 3kqf s ALA 63 Cb 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3kqf s ALA 63 CO 0.49 -0.02 0.17 0.35 0.00 0.00 0.00 175.76 176.75 3kqf h PHE 64 N 6.75 -0.04 -1.25 0.00 3.57 -0.84 -3.40 116.94 121.72 3kqf h PHE 64 Ca -0.36 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.29 3kqf h PHE 64 Cb 1.16 0.01 -0.24 0.00 2.79 0.00 0.00 35.95 39.68 3kqf h PHE 64 CO 0.46 0.13 0.19 0.00 -2.23 0.00 0.00 178.31 176.86 3kqf n ALA 66 N 4.83 2.63 0.00 0.00 0.00 -0.30 -1.79 120.51 125.88 3kqf n ALA 66 Ca -0.11 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3kqf n ALA 66 Cb 0.53 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.92 -0.38 3.70 0.00 0.00 -1.07 -4.45 105.19 103.91 3kqf n GLY 67 Ca 0.18 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 3kqf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqf n ALA 68 N 1.70 1.93 -1.61 4.61 0.00 -1.26 -0.20 120.51 125.68 3kqf n ALA 68 Ca 0.00 0.40 -0.45 0.00 0.00 0.00 0.00 53.44 53.40 3kqf n ALA 68 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.02 3kqf n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kqf n ASP 69 N 2.71 3.39 0.13 0.00 4.64 -1.15 -4.74 116.55 121.54 3kqf n ASP 69 Ca 0.12 0.53 -0.02 0.00 -1.38 0.00 0.00 54.79 54.05 3kqf n ASP 69 Cb 0.33 -1.48 0.13 0.00 -1.04 0.00 0.00 41.12 39.06 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 12.65 0.00 -0.67 -2.67 3.38 -1.94 0.23 115.31 126.28 3kqf h LEU 70 Ca -0.43 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 3kqf h LEU 70 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3kqf h LEU 70 CO 0.96 0.66 -0.31 0.50 0.09 0.00 0.00 178.44 180.34 3kqf h LYS 71 N 0.00 0.00 0.06 1.13 1.63 -2.00 -1.05 116.57 116.35 3kqf h LYS 71 Ca -0.01 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.46 3kqf h LYS 71 Cb 1.19 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.78 3kqf h LYS 71 CO 0.09 0.31 -1.94 -1.91 -3.45 0.00 0.00 179.45 172.55 3kqf n GLU 72 N -3.33 0.70 0.16 1.90 2.13 -1.09 -4.18 120.64 116.92 3kqf n GLU 72 Ca 0.01 0.25 0.04 0.00 0.66 0.00 0.00 57.16 58.12 3kqf n GLU 72 Cb 0.54 -1.72 0.16 0.00 0.27 0.00 0.00 31.44 30.69 3kqf n GLU 72 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3kqf h ARG 73 N 0.03 0.00 -0.53 5.31 9.65 -0.55 -3.26 114.38 125.03 3kqf h ARG 73 Ca -0.39 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.57 3kqf h ARG 73 Cb 2.03 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 30.55 3kqf h ARG 73 CO 0.07 0.45 0.20 0.00 2.80 0.00 0.00 179.97 183.49 3kqf h ALA 74 N 1.55 0.67 -2.32 2.80 0.00 -1.35 -3.47 119.26 117.14 3kqf h ALA 74 Ca -0.00 0.07 -0.73 0.00 0.00 0.00 0.00 54.91 54.24 3kqf h ALA 74 Cb 1.19 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.79 3kqf h ALA 74 CO 0.06 -0.20 -0.31 0.20 0.00 0.00 0.00 179.25 179.00 3kqf s GLY 75 N -2.99 2.02 0.24 0.00 0.00 -1.23 -5.13 107.32 100.23 3kqf s GLY 75 Ca -0.13 -2.01 0.02 0.00 0.00 0.00 0.00 44.72 42.60 3kqf s GLY 75 CO 0.73 1.07 0.07 1.16 0.00 0.00 0.00 173.10 176.13 3kqf n ASN 77 N 5.29 1.45 -0.24 1.64 6.94 -1.26 -5.01 115.26 124.05 3kqf n ASN 77 Ca -0.12 -2.25 -0.03 0.00 -0.02 0.00 0.00 54.58 52.16 3kqf n ASN 77 Cb 0.44 0.51 0.14 0.00 -2.36 0.00 0.00 39.78 38.51 3kqf n ASN 77 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 3kqf h GLU 78 N 0.00 1.07 -0.29 -3.83 9.09 -2.02 -2.70 114.58 115.91 3kqf h GLU 78 Ca -0.19 -0.16 -0.11 0.00 0.05 0.00 0.00 59.36 58.94 3kqf h GLU 78 Cb 0.70 -0.19 -0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3kqf h GLU 78 CO 0.31 0.84 -0.27 1.49 0.05 0.00 0.00 179.01 181.44 3kqf h GLU 79 N 1.06 0.69 -0.12 1.06 4.81 -2.05 -2.86 114.58 117.17 3kqf h GLU 79 Ca 0.25 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3kqf h GLU 79 Cb 0.15 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3kqf h GLU 79 CO -0.03 0.97 -0.30 0.37 -0.73 0.00 0.00 179.01 179.29 3kqf h GLN 80 N 0.43 0.22 -0.47 1.92 5.75 -1.99 -2.76 115.11 118.22 3kqf h GLN 80 Ca 0.05 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 3kqf h GLN 80 Cb 0.83 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 3kqf h GLN 80 CO 0.07 0.51 -0.17 0.28 -2.65 0.00 0.00 178.83 176.87 3kqf h VAL 81 N 0.19 1.27 -0.08 2.39 2.07 -1.45 -2.80 116.25 117.84 3kqf h VAL 81 Ca 0.03 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.26 3kqf h VAL 81 Cb 0.64 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3kqf h VAL 81 CO 0.05 0.45 -0.02 0.03 0.02 0.00 0.00 177.57 178.09 3kqf h ARG 82 N 0.80 -0.00 -0.70 1.57 3.08 -1.25 0.19 114.38 118.06 3kqf h ARG 82 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3kqf h ARG 82 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3kqf h ARG 82 CO 0.05 -0.00 0.38 1.25 -1.07 0.00 0.00 179.97 180.58 3kqf h HIS 83 N -0.00 0.96 -0.53 3.04 2.76 -1.54 0.39 115.15 120.24 3kqf h HIS 83 Ca 0.04 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 3kqf h HIS 83 Cb 0.06 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 3kqf h HIS 83 CO -0.14 0.69 0.17 0.00 -1.30 0.00 0.00 177.93 177.35 3kqf h ALA 84 N 1.19 0.69 -0.65 5.26 0.00 -1.26 -2.72 119.26 121.76 3kqf h ALA 84 Ca 0.25 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3kqf h ALA 84 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kqf h ALA 84 CO -0.04 0.34 0.18 0.28 0.00 0.00 0.00 179.25 180.02 3kqf h VAL 85 N 0.72 1.25 0.00 0.00 2.07 -0.20 -2.13 116.25 117.96 3kqf h VAL 85 Ca 0.17 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3kqf h VAL 85 Cb 0.27 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3kqf h VAL 85 CO -0.01 0.34 0.00 -1.20 0.02 0.00 0.00 177.57 176.72 3kqf n SER 86 N -4.33 0.11 0.00 0.57 7.64 0.13 -1.39 113.62 116.35 3kqf n SER 86 Ca 0.04 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3kqf n SER 86 Cb 0.23 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3kqf n SER 86 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3kqf n ILE 88 N 0.73 0.00 -0.04 0.44 5.41 -0.80 -0.81 119.36 124.29 3kqf n ILE 88 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3kqf n ILE 88 Cb 0.02 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.92 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 0.02 -0.97 0.38 3.08 -1.51 -2.30 114.38 113.08 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 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 3kqf h ARG 89 CO 0.00 0.01 0.63 1.15 -1.07 0.00 0.00 179.97 180.69 3kqf h THR 90 N 0.02 1.12 0.00 2.04 2.02 -1.23 -2.46 112.91 114.41 3kqf h THR 90 Ca 0.09 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3kqf h THR 90 Cb 0.13 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 3kqf h THR 90 CO -0.18 0.21 0.00 0.41 0.37 0.00 0.00 175.52 176.33 3kqf n THR 91 N -4.50 0.10 -1.07 3.16 -1.04 -0.87 -4.73 114.28 105.34 3kqf n THR 91 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3kqf n THR 91 Cb 0.14 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 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 0.81 -1.56 0.00 -2.82 1.02 -0.93 -4.73 120.64 112.44 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 0.06 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.72 0.00 0.23 2.62 0.31 -1.26 -1.11 118.33 118.40 3kqf n VAL 95 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3kqf n VAL 95 Cb 0.14 0.00 0.55 0.00 -0.91 0.00 0.00 33.84 33.62 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 -2.85 114.58 119.53 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 0.21 -0.29 1.04 0.07 0.00 0.00 179.01 180.04 3kqf n GLN 97 N -3.57 1.12 -1.76 1.06 6.02 -0.27 -4.94 117.38 115.05 3kqf n GLN 97 Ca -0.01 -0.79 -0.40 0.00 -0.01 0.00 0.00 57.00 55.79 3kqf n GLN 97 Cb 0.36 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 30.15 3kqf n GLN 97 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3kqf n LEU 98 N -0.25 5.02 -0.30 1.08 7.94 -1.08 -4.89 117.00 124.52 3kqf n LEU 98 Ca 0.12 1.14 -0.00 0.00 -1.11 0.00 0.00 56.01 56.16 3kqf n LEU 98 Cb 0.40 -1.60 0.18 0.00 0.53 0.00 0.00 43.42 42.93 3kqf n LEU 98 CO 0.25 -0.11 1.27 -0.65 -1.11 0.00 0.00 177.39 177.04 3kqf h PRO 99 N 2.41 1.14 -6.68 1.96 0.11 -1.90 -3.44 132.00 125.61 3kqf h PRO 99 Ca -0.51 -0.07 -0.50 0.00 0.11 0.00 0.00 66.00 65.03 3kqf h PRO 99 Cb 1.26 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3kqf h PRO 99 CO 0.61 0.76 0.06 -0.65 -0.21 0.00 0.00 178.00 178.57 3kqf s GLN 100 N -5.98 3.95 0.51 1.05 1.11 -1.26 -4.55 119.66 114.49 3kqf s GLN 100 Ca -0.12 0.58 -0.22 0.00 0.01 0.00 0.00 55.36 55.61 3kqf s GLN 100 Cb 0.18 -2.47 -0.06 0.00 -1.01 0.00 0.00 33.01 29.66 3kqf s GLN 100 CO 0.80 0.17 1.29 -2.14 0.01 0.00 0.00 175.29 175.42 3kqf s PRO 101 N -3.02 3.39 -0.15 2.91 0.02 -1.26 -4.85 135.00 132.05 3kqf s PRO 101 Ca 0.53 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.63 3kqf s PRO 101 Cb -0.10 -2.33 0.02 0.00 0.02 0.00 0.00 34.50 32.11 3kqf s PRO 101 CO 0.19 -0.94 -0.19 0.08 -0.33 0.00 0.00 177.00 175.81 3kqf s VAL 102 N -1.39 1.88 -0.22 3.83 1.01 -1.26 -1.32 120.40 122.93 3kqf s VAL 102 Ca 0.68 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 3kqf s VAL 102 Cb -0.36 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3kqf s VAL 102 CO 0.43 0.51 0.08 -0.63 0.00 0.00 0.00 175.10 175.50 3kqf s ILE 103 N 1.12 4.72 -0.27 2.22 1.01 0.13 -0.60 121.20 129.54 3kqf s ILE 103 Ca -0.01 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 3kqf s ILE 103 Cb -0.14 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 3kqf s ILE 103 CO -0.07 0.39 0.71 0.00 0.00 0.00 0.00 174.94 175.97 3kqf s ALA 104 N 0.96 3.60 -0.55 9.38 0.00 -0.52 -0.03 121.76 134.60 3kqf s ALA 104 Ca 0.05 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 3kqf s ALA 104 Cb -0.14 -3.16 0.14 0.00 0.00 0.00 0.00 23.12 19.96 3kqf s ALA 104 CO 0.03 -0.94 0.49 0.00 0.00 0.00 0.00 175.76 175.35 3kqf s ALA 105 N 2.69 3.64 -0.65 0.00 0.00 0.50 -0.74 121.76 127.19 3kqf s ALA 105 Ca 0.30 -2.62 -0.22 0.00 0.00 0.00 0.00 51.96 49.41 3kqf s ALA 105 Cb -0.15 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.84 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 1.41 4.34 -2.35 0.00 1.01 0.24 -4.29 121.20 121.56 3kqf s ILE 106 Ca 0.05 -0.36 0.28 0.00 0.00 0.00 0.00 60.65 60.62 3kqf s ILE 106 Cb -0.27 -4.67 0.51 0.00 0.01 0.00 0.00 42.46 38.03 3kqf s ILE 106 CO 0.01 -1.43 1.72 -0.46 0.00 0.00 0.00 174.94 174.79 3kqf n ASN 107 N 7.65 1.37 0.00 3.58 6.94 -1.26 -1.33 115.26 132.21 3kqf n ASN 107 Ca -0.04 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.15 3kqf n ASN 107 Cb 0.45 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 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 1.20 1.34 3.77 4.83 0.00 -1.26 -4.32 105.19 110.75 3kqf n GLY 108 Ca 0.18 -0.29 -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 -1.03 2.29 -0.12 -0.61 -4.36 -0.44 -3.34 121.20 113.60 3kqf s ILE 109 Ca 0.00 0.28 -0.01 0.00 -0.26 0.00 0.00 60.65 60.66 3kqf s ILE 109 Cb 0.00 -3.17 0.03 0.00 1.25 0.00 0.00 42.46 40.57 3kqf s ILE 109 CO 0.00 0.05 -0.05 0.00 0.24 0.00 0.00 174.94 175.18 3kqf s ALA 110 N -1.18 1.21 0.08 2.27 0.00 0.24 -0.36 121.76 124.02 3kqf s ALA 110 Ca 0.55 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.04 3kqf s ALA 110 Cb -0.43 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 3kqf s ALA 110 CO 0.56 -0.52 -0.11 -0.51 0.00 0.00 0.00 175.76 175.19 3kqf s LEU 111 N 1.76 2.32 0.00 0.00 1.43 -0.74 -2.42 118.68 121.03 3kqf s LEU 111 Ca 0.04 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 3kqf s LEU 111 Cb -0.13 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.73 3kqf s LEU 111 CO -0.08 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 176.94 3kqf n GLY 112 N 1.04 2.21 0.40 -3.19 0.00 -1.09 -0.28 105.19 104.28 3kqf n GLY 112 Ca -0.20 0.39 0.20 0.00 0.00 0.00 0.00 46.02 46.42 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 0.50 1.01 -0.02 0.00 -1.88 0.70 103.07 103.38 3kqf h GLY 113 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 3kqf h GLY 113 CO 0.00 0.01 -0.29 -1.33 0.00 0.00 0.00 176.54 174.93 3kqf h GLY 114 N 0.26 0.84 1.09 4.60 0.00 -0.79 0.27 103.07 109.34 3kqf h GLY 114 Ca 0.40 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 3kqf h GLY 114 CO -0.10 0.76 0.11 -0.84 0.00 0.00 0.00 176.54 176.48 3kqf h THR 115 N 0.55 1.26 -0.35 4.70 2.02 -1.01 -1.39 112.91 118.69 3kqf h THR 115 Ca 0.06 -1.04 -0.11 0.00 0.77 0.00 0.00 66.41 66.09 3kqf h THR 115 Cb 0.86 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3kqf h THR 115 CO 0.07 0.39 -0.22 -0.33 0.37 0.00 0.00 175.52 175.80 3kqf h GLU 116 N 1.04 0.69 -0.35 6.66 5.08 -0.77 -1.60 114.58 125.33 3kqf h GLU 116 Ca 0.20 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3kqf h GLU 116 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3kqf h GLU 116 CO 0.01 0.86 0.17 1.25 -1.00 0.00 0.00 179.01 180.30 3kqf h LEU 117 N 0.61 0.46 -0.93 1.33 5.85 -0.22 -1.78 115.31 120.63 3kqf h LEU 117 Ca 0.09 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3kqf h LEU 117 Cb 0.70 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3kqf h LEU 117 CO 0.05 0.46 0.59 0.28 -0.34 0.00 0.00 178.44 179.48 3kqf h SER 118 N 0.43 0.92 0.57 1.25 0.02 -0.73 -2.00 113.55 114.02 3kqf h SER 118 Ca 0.12 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3kqf h SER 118 Cb 0.12 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3kqf h SER 118 CO -0.02 0.57 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.82 3kqf h LEU 119 N 1.04 0.00 -0.69 5.07 3.38 -0.94 -2.68 115.31 120.49 3kqf h LEU 119 Ca 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 3kqf h LEU 119 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kqf h LEU 119 CO -0.19 0.36 -0.17 0.00 0.09 0.00 0.00 178.44 178.53 3kqf h ALA 120 N 1.64 0.95 -2.37 1.53 0.00 -0.57 -3.45 119.26 116.99 3kqf h ALA 120 Ca -0.00 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 54.24 3kqf h ALA 120 Cb 0.74 -0.03 0.11 0.00 0.00 0.00 0.00 17.79 18.61 3kqf h ALA 120 CO 0.05 0.21 0.35 0.00 0.00 0.00 0.00 179.25 179.85 3kqf h ASP 122 N -0.55 0.62 -5.12 0.00 3.32 -1.15 -3.46 116.42 110.08 3kqf h ASP 122 Ca -0.45 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3kqf h ASP 122 Cb 1.23 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 3kqf h ASP 122 CO 0.53 0.53 0.05 0.72 -1.72 0.00 0.00 179.24 179.36 3kqf s PHE 123 N -5.85 0.06 -0.00 4.55 -0.12 -1.22 -5.05 117.98 110.35 3kqf s PHE 123 Ca -0.13 -0.46 0.04 0.00 -0.05 0.00 0.00 56.93 56.33 3kqf s PHE 123 Cb 0.12 0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 42.93 3kqf s PHE 123 CO 0.75 -1.09 -0.13 1.03 -0.05 0.00 0.00 175.22 175.73 3kqf s ARG 124 N -3.96 1.03 -0.09 1.99 0.52 -1.26 -1.43 118.95 115.74 3kqf s ARG 124 Ca 0.16 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 3kqf s ARG 124 Cb -0.03 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.45 3kqf s ARG 124 CO 0.07 0.27 -0.19 0.42 0.02 0.00 0.00 175.30 175.88 3kqf s ILE 125 N -0.41 1.71 0.09 1.52 1.01 0.08 -1.50 121.20 123.69 3kqf s ILE 125 Ca 0.04 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 59.98 3kqf s ILE 125 Cb -0.06 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3kqf s ILE 125 CO -0.00 0.48 -0.25 0.00 0.00 0.00 0.00 174.94 175.17 3kqf s ALA 126 N 0.51 2.37 0.43 9.38 0.00 0.30 -0.59 121.76 134.17 3kqf s ALA 126 Ca -0.16 -1.36 -0.23 0.00 0.00 0.00 0.00 51.96 50.21 3kqf s ALA 126 Cb -0.17 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 3kqf s ALA 126 CO 0.06 0.54 1.07 0.00 0.00 0.00 0.00 175.76 177.44 3kqf s ALA 127 N -0.96 3.01 0.47 0.00 0.00 -0.44 -1.41 121.76 122.43 3kqf s ALA 127 Ca 0.13 0.73 0.27 0.00 0.00 0.00 0.00 51.96 53.09 3kqf s ALA 127 Cb -0.10 -3.29 1.31 0.00 0.00 0.00 0.00 23.12 21.04 3kqf s ALA 127 CO 0.05 -0.33 1.80 1.49 0.00 0.00 0.00 175.76 178.77 3kqf h GLU 128 N 2.18 0.20 -0.25 0.00 4.22 -1.03 -0.87 114.58 119.03 3kqf h GLU 128 Ca -0.49 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3kqf h GLU 128 Cb 1.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3kqf h GLU 128 CO 0.61 0.13 0.00 -1.13 -2.18 0.00 0.00 179.01 176.44 3kqf n SER 129 N -4.42 2.21 -4.82 1.04 3.41 -1.26 -4.44 113.62 105.34 3kqf n SER 129 Ca 0.24 -1.82 -0.30 0.00 -0.26 0.00 0.00 58.87 56.74 3kqf n SER 129 Cb 1.01 -0.16 0.10 0.00 -0.26 0.00 0.00 64.21 64.90 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 -1.68 2.27 0.02 7.33 0.00 -0.33 -4.77 121.76 124.58 3kqf s ALA 130 Ca 0.33 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 3kqf s ALA 130 Cb 0.19 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 20.27 3kqf s ALA 130 CO 0.27 -1.78 0.33 -1.54 0.00 0.00 0.00 175.76 173.04 3kqf s SER 131 N -4.08 -0.19 0.03 0.00 1.04 -1.21 -2.20 113.70 107.09 3kqf s SER 131 Ca 0.61 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 57.03 3kqf s SER 131 Cb -0.14 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 3kqf s SER 131 CO 0.53 -0.55 -0.05 -0.76 0.98 0.00 0.00 173.24 173.39 3kqf s LEU 132 N -1.71 2.21 -0.18 2.42 1.02 -0.25 -0.59 118.68 121.60 3kqf s LEU 132 Ca -0.09 -0.45 -0.32 0.00 0.02 0.00 0.00 54.13 53.29 3kqf s LEU 132 Cb -0.03 -0.05 0.14 0.00 0.02 0.00 0.00 46.19 46.27 3kqf s LEU 132 CO 0.01 -0.21 1.15 -0.83 0.02 0.00 0.00 176.35 176.49 3kqf s GLY 133 N -1.30 -0.24 -0.51 -3.19 0.00 -1.02 -0.24 107.32 100.82 3kqf s GLY 133 Ca -0.11 1.83 0.02 0.00 0.00 0.00 0.00 44.72 46.46 3kqf s GLY 133 CO -0.00 0.71 0.27 1.08 0.00 0.00 0.00 173.10 175.15 3kqf s LEU 134 N -1.80 4.64 0.00 0.66 1.43 -1.26 -2.66 118.68 119.68 3kqf s LEU 134 Ca 0.07 -2.81 0.17 0.00 -1.03 0.00 0.00 54.13 50.52 3kqf s LEU 134 Cb -0.01 -1.70 0.61 0.00 0.03 0.00 0.00 46.19 45.12 3kqf s LEU 134 CO -0.05 -0.30 1.45 0.35 0.23 0.00 0.00 176.35 178.03 3kqf n THR 135 N 3.42 0.28 -0.29 5.49 -2.24 -1.26 -4.33 114.28 115.35 3kqf n THR 135 Ca 0.05 -0.36 0.11 0.00 -2.27 0.00 0.00 64.05 61.59 3kqf n THR 135 Cb 0.35 0.28 0.27 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.97 0.21 0.00 -0.78 3.07 -1.88 0.19 114.58 117.37 3kqf h GLU 136 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3kqf h GLU 136 Cb 0.44 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3kqf h GLU 136 CO 0.00 0.14 -0.03 1.79 -1.40 0.00 0.00 179.01 179.51 3kqf h THR 137 N 0.22 0.17 0.00 1.13 1.35 -1.70 -1.23 112.91 112.85 3kqf h THR 137 Ca 0.52 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 3kqf h THR 137 Cb 1.03 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3kqf h THR 137 CO -0.63 0.03 0.00 0.71 -0.25 0.00 0.00 175.52 175.37 3kqf h THR 138 N 0.00 0.00 -0.31 6.82 1.35 -1.24 -2.19 112.91 117.33 3kqf h THR 138 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3kqf h THR 138 Cb 0.21 1.39 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 -2.60 3.71 -1.92 3.87 4.32 -0.54 -4.98 117.00 118.86 3kqf n LEU 139 Ca 0.03 -2.70 -0.18 0.00 -0.02 0.00 0.00 56.01 53.14 3kqf n LEU 139 Cb 0.34 -0.46 -0.02 0.00 -1.62 0.00 0.00 43.42 41.66 3kqf n LEU 139 CO 0.26 0.69 -0.22 0.00 -1.22 0.00 0.00 177.39 176.91 3kqf n ALA 140 N -0.11 -0.48 -4.14 -1.18 0.00 -0.83 -5.01 120.51 108.77 3kqf n ALA 140 Ca 0.19 0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.64 3kqf n ALA 140 Cb 0.77 -1.93 -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 -3.75 0.00 -4.36 0.00 -5.35 -0.75 -4.99 119.36 100.15 3kqf n ILE 141 Ca -0.21 -1.28 -0.18 0.00 -0.27 0.00 0.00 62.75 60.81 3kqf n ILE 141 Cb 0.65 0.40 -0.10 0.00 -1.74 0.00 0.00 39.64 38.84 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 -2.25 1.32 0.11 7.28 -4.36 -1.26 -2.37 121.20 119.66 3kqf s ILE 142 Ca 0.08 -2.08 -0.34 0.00 -0.26 0.00 0.00 60.65 58.04 3kqf s ILE 142 Cb 0.00 -2.32 -0.14 0.00 1.25 0.00 0.00 42.46 41.25 3kqf s ILE 142 CO 0.05 -0.37 1.59 -2.65 0.24 0.00 0.00 174.94 173.80 3kqf n PRO 143 N -0.46 1.99 -0.03 0.37 -0.02 -1.26 -4.88 135.00 130.71 3kqf n PRO 143 Ca -0.06 0.72 0.08 0.00 -2.02 0.00 0.00 63.50 62.22 3kqf n PRO 143 Cb 0.63 -2.48 0.08 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.43 0.41 2.49 -1.23 0.00 -1.26 -4.57 105.19 104.46 3kqf n GLY 144 Ca 0.18 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 0.86 4.01 -0.34 4.61 0.00 -1.26 -4.80 120.51 123.59 3kqf n ALA 145 Ca 0.10 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 50.06 3kqf n ALA 145 Cb 0.39 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.48 0.67 0.36 0.00 0.00 -1.26 -4.87 105.19 99.61 3kqf n GLY 146 Ca 0.25 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.33 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 1.24 2.00 -0.02 0.00 -1.93 0.25 103.07 104.61 3kqf h GLY 147 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kqf h GLY 147 CO 0.00 0.24 0.00 -0.91 0.00 0.00 0.00 176.54 175.87 3kqf h THR 148 N 0.91 0.00 0.00 4.70 1.35 -1.94 -2.78 112.91 115.16 3kqf h THR 148 Ca 0.39 -0.30 -0.34 0.00 -0.55 0.00 0.00 66.41 65.61 3kqf h THR 148 Cb 0.31 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 67.79 3kqf h THR 148 CO -0.15 0.00 -2.14 0.00 -0.25 0.00 0.00 175.52 172.98 3kqf n GLN 149 N -2.47 0.44 0.08 4.72 1.13 -0.43 -4.50 117.38 116.36 3kqf n GLN 149 Ca 0.02 0.18 -0.07 0.00 -1.94 0.00 0.00 57.00 55.18 3kqf n GLN 149 Cb 0.25 -1.26 0.04 0.00 0.11 0.00 0.00 30.24 29.38 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 -0.60 0.22 0.21 -1.09 3.08 -0.68 -3.06 114.38 112.47 3kqf h ARG 150 Ca -0.51 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.33 3kqf h ARG 150 Cb 1.50 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3kqf h ARG 150 CO -0.27 0.89 -0.10 1.25 -1.07 0.00 0.00 179.97 180.67 3kqf h LEU 151 N 0.14 -0.24 -1.36 3.04 5.85 -1.68 -2.35 115.31 118.72 3kqf h LEU 151 Ca -0.03 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 3kqf h LEU 151 Cb 1.36 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 3kqf h LEU 151 CO 0.12 0.06 -0.11 1.55 -0.34 0.00 0.00 178.44 179.71 3kqf h PRO 152 N -0.55 0.29 -0.93 5.25 0.13 -1.79 -1.00 132.00 133.40 3kqf h PRO 152 Ca -0.03 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3kqf h PRO 152 Cb 0.41 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.45 3kqf h PRO 152 CO 0.05 0.41 0.62 0.00 -0.23 0.00 0.00 178.00 178.85 3kqf h ARG 153 N 0.27 1.18 0.13 0.86 3.08 -1.49 0.32 114.38 118.73 3kqf h ARG 153 Ca 0.06 -0.07 -0.22 0.00 0.07 0.00 0.00 59.98 59.82 3kqf h ARG 153 Cb 0.38 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3kqf h ARG 153 CO 0.02 0.78 -1.03 1.25 -1.07 0.00 0.00 179.97 179.92 3kqf h LEU 154 N 1.21 0.43 -2.11 3.04 5.85 -0.85 -3.41 115.31 119.48 3kqf h LEU 154 Ca 0.36 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3kqf h LEU 154 Cb -0.05 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3kqf h LEU 154 CO -0.10 1.47 0.00 2.30 -0.34 0.00 0.00 178.44 181.77 3kqf n ILE 155 N -4.06 0.52 0.00 4.05 -5.35 -0.43 -4.90 119.36 109.19 3kqf n ILE 155 Ca -0.18 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.54 3kqf n ILE 155 Cb 0.85 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 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 0.15 0.85 0.30 3.28 0.00 0.10 -4.56 105.19 105.30 3kqf n GLY 156 Ca 0.04 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 3kqf n GLY 156 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kqf h VAL 157 N 0.00 1.26 -0.27 1.61 -1.51 -1.92 -2.36 116.25 113.05 3kqf h VAL 157 Ca 0.00 -0.93 0.02 0.00 -1.23 0.00 0.00 66.70 64.56 3kqf h VAL 157 Cb 0.00 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 29.77 3kqf h VAL 157 CO 0.00 0.35 0.12 1.23 -1.23 0.00 0.00 177.57 178.04 3kqf h GLY 158 N 0.94 0.36 1.56 5.19 0.00 -1.95 0.33 103.07 109.50 3kqf h GLY 158 Ca 0.20 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.24 3kqf h GLY 158 CO 0.00 0.07 -0.85 -0.09 0.00 0.00 0.00 176.54 175.67 3kqf h ARG 159 N 0.27 0.41 -0.49 4.80 9.65 -1.80 -2.12 114.38 125.10 3kqf h ARG 159 Ca 0.11 -0.40 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 3kqf h ARG 159 Cb 0.05 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 3kqf h ARG 159 CO -0.09 1.05 0.28 0.00 2.80 0.00 0.00 179.97 184.02 3kqf h ALA 160 N 0.82 0.63 0.12 2.80 0.00 -1.17 -1.59 119.26 120.86 3kqf h ALA 160 Ca -0.06 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kqf h ALA 160 Cb 1.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3kqf h ALA 160 CO 0.15 0.14 -0.13 0.87 0.00 0.00 0.00 179.25 180.28 3kqf h LYS 161 N 0.66 -0.26 -0.38 0.00 1.57 -0.88 -0.08 116.57 117.20 3kqf h LYS 161 Ca 0.18 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.04 3kqf h LYS 161 Cb 0.02 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 3kqf h LYS 161 CO -0.03 -0.18 0.03 1.49 -0.57 0.00 0.00 179.45 180.20 3kqf h GLU 162 N -0.27 0.14 -0.43 3.15 4.22 -1.15 0.19 114.58 120.43 3kqf h GLU 162 Ca 0.01 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 3kqf h GLU 162 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3kqf h GLU 162 CO -0.04 0.09 -0.25 -0.07 -2.18 0.00 0.00 179.01 176.56 3kqf h LEU 163 N 0.15 0.93 0.05 1.64 3.38 -1.19 -2.19 115.31 118.07 3kqf h LEU 163 Ca 0.18 -0.36 -0.25 0.00 0.09 0.00 0.00 57.88 57.54 3kqf h LEU 163 Cb 0.24 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kqf h LEU 163 CO -0.28 1.13 -1.02 0.40 0.09 0.00 0.00 178.44 178.76 3kqf h ILE 164 N 0.77 1.32 -0.63 1.22 2.04 -0.78 0.86 117.51 122.31 3kqf h ILE 164 Ca 0.09 -2.31 -0.06 0.00 1.00 0.00 0.00 64.86 63.59 3kqf h ILE 164 Cb 0.81 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.46 3kqf h ILE 164 CO 0.07 0.70 0.17 1.88 0.00 0.00 0.00 178.15 180.97 3kqf h TYR 165 N 0.20 1.03 0.04 1.37 0.05 -0.65 -3.13 116.97 115.89 3kqf h TYR 165 Ca -0.14 -0.12 -0.25 0.00 0.05 0.00 0.00 58.73 58.27 3kqf h TYR 165 Cb 1.70 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 39.12 3kqf h TYR 165 CO 0.12 0.86 -1.25 1.79 -1.05 0.00 0.00 178.16 178.63 3kqf h THR 166 N 0.91 1.44 -0.48 -2.88 1.35 -1.49 -3.47 112.91 108.29 3kqf h THR 166 Ca 0.20 -3.14 -0.11 0.00 -0.55 0.00 0.00 66.41 62.81 3kqf h THR 166 Cb 0.33 2.78 -0.03 0.00 -1.73 0.00 0.00 68.15 69.50 3kqf h THR 166 CO -0.00 0.86 -0.12 0.61 -0.25 0.00 0.00 175.52 176.62 3kqf n GLY 167 N 1.47 0.52 3.79 5.82 0.00 0.29 -4.81 105.19 112.27 3kqf n GLY 167 Ca -0.07 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.23 4.48 0.06 1.61 1.70 -1.19 -4.18 118.95 118.20 3kqf s ARG 168 Ca 0.00 1.21 -0.20 0.00 -0.47 0.00 0.00 55.73 56.27 3kqf s ARG 168 Cb 0.00 -2.77 -0.07 0.00 -0.57 0.00 0.00 34.95 31.54 3kqf s ARG 168 CO 0.00 0.28 0.58 1.03 -1.08 0.00 0.00 175.30 176.12 3kqf s ARG 169 N -2.12 4.24 0.18 3.89 0.52 -1.26 -4.44 118.95 119.96 3kqf s ARG 169 Ca 0.49 0.76 0.09 0.00 -0.52 0.00 0.00 55.73 56.55 3kqf s ARG 169 Cb -0.17 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3kqf s ARG 169 CO 0.22 0.59 -0.18 0.96 0.02 0.00 0.00 175.30 176.91 3kqf s ILE 170 N -0.95 1.89 0.83 1.52 -4.36 0.67 -4.94 121.20 115.85 3kqf s ILE 170 Ca 0.30 -1.98 -0.12 0.00 -0.26 0.00 0.00 60.65 58.59 3kqf s ILE 170 Cb -0.19 -1.91 0.09 0.00 1.25 0.00 0.00 42.46 41.69 3kqf s ILE 170 CO 0.19 -0.33 1.11 -0.94 0.24 0.00 0.00 174.94 175.21 3kqf s SER 171 N -2.77 4.25 0.38 4.36 1.04 -1.26 -1.09 113.70 118.61 3kqf s SER 171 Ca 0.17 1.19 0.06 0.00 0.48 0.00 0.00 55.95 57.85 3kqf s SER 171 Cb -0.05 -1.88 0.75 0.00 0.10 0.00 0.00 66.02 64.94 3kqf s SER 171 CO 0.07 -2.11 1.99 0.00 0.98 0.00 0.00 173.24 174.18 3kqf h ALA 172 N -1.19 1.58 -0.38 5.32 0.00 -1.66 -1.05 119.26 121.89 3kqf h ALA 172 Ca -0.48 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 3kqf h ALA 172 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kqf h ALA 172 CO 0.60 0.34 -0.09 1.96 0.00 0.00 0.00 179.25 182.07 3kqf h GLN 173 N 0.57 0.73 -0.28 0.00 7.50 -1.88 0.14 115.11 121.90 3kqf h GLN 173 Ca 0.15 -0.28 -0.15 0.00 0.50 0.00 0.00 58.65 58.86 3kqf h GLN 173 Cb 0.06 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 3kqf h GLN 173 CO -0.02 0.88 -0.44 1.49 -1.50 0.00 0.00 178.83 179.24 3kqf h GLU 174 N 0.54 0.70 -1.00 1.46 4.81 -1.86 -1.82 114.58 117.40 3kqf h GLU 174 Ca 0.10 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 3kqf h GLU 174 Cb 0.61 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 3kqf h GLU 174 CO 0.04 1.00 0.66 0.00 -0.73 0.00 0.00 179.01 179.97 3kqf h ALA 175 N 0.94 1.30 -0.50 2.92 0.00 -0.98 -1.75 119.26 121.19 3kqf h ALA 175 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3kqf h ALA 175 Cb 0.99 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3kqf h ALA 175 CO 0.09 0.59 0.08 -0.22 0.00 0.00 0.00 179.25 179.80 3kqf h LYS 176 N 1.30 0.83 -1.01 0.00 3.64 -0.66 0.26 116.57 120.93 3kqf h LYS 176 Ca 0.38 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3kqf h LYS 176 Cb -0.07 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.60 3kqf h LYS 176 CO -0.11 0.83 0.66 1.49 -2.27 0.00 0.00 179.45 180.05 3kqf h GLU 177 N 0.71 1.21 -0.01 1.90 4.81 -0.72 -2.44 114.58 120.05 3kqf h GLU 177 Ca 0.15 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kqf h GLU 177 Cb 0.40 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kqf h GLU 177 CO 0.01 0.80 -0.12 0.66 -0.73 0.00 0.00 179.01 179.63 3kqf n TYR 178 N -4.46 0.00 -0.93 0.92 4.01 -0.72 -4.93 117.16 111.06 3kqf n TYR 178 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3kqf n TYR 178 Cb 0.13 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.25 0.47 0.22 2.72 0.00 -0.60 -4.66 105.19 104.58 3kqf n GLY 179 Ca 0.16 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 0.75 -8.74 0.99 5.85 -1.24 -3.44 115.31 109.48 3kqf h LEU 180 Ca 0.00 -0.45 -0.70 0.00 0.84 0.00 0.00 57.88 57.58 3kqf h LEU 180 Cb 0.00 -0.22 -0.27 0.00 0.37 0.00 0.00 40.66 40.54 3kqf h LEU 180 CO 0.00 1.21 -0.86 0.68 -0.34 0.00 0.00 178.44 179.13 3kqf s VAL 181 N -3.88 2.34 -0.09 1.05 -7.23 -1.18 -4.81 120.40 106.60 3kqf s VAL 181 Ca -0.08 -1.13 0.14 0.00 -1.81 0.00 0.00 61.98 59.10 3kqf s VAL 181 Cb 0.10 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 35.07 3kqf s VAL 181 CO 0.87 0.49 1.08 -0.33 -0.31 0.00 0.00 175.10 176.90 3kqf h GLU 182 N 5.15 0.00 -3.51 4.82 3.07 -1.54 -3.39 114.58 119.17 3kqf h GLU 182 Ca -0.45 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.23 3kqf h GLU 182 Cb 1.14 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.80 3kqf h GLU 182 CO 0.47 0.47 -0.56 -0.06 -1.40 0.00 0.00 179.01 177.93 3kqf s PHE 183 N -2.88 -0.04 -0.06 4.33 0.08 -1.12 -5.05 117.98 113.25 3kqf s PHE 183 Ca -0.00 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.16 3kqf s PHE 183 Cb 0.08 -0.01 0.01 0.00 -0.57 0.00 0.00 43.02 42.54 3kqf s PHE 183 CO 0.79 -0.15 -0.11 0.08 -0.10 0.00 0.00 175.22 175.73 3kqf s VAL 184 N -0.56 1.06 0.10 -0.44 1.01 -1.26 -0.54 120.40 119.78 3kqf s VAL 184 Ca -0.06 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3kqf s VAL 184 Cb -0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3kqf s VAL 184 CO 0.00 0.34 -0.04 0.68 0.00 0.00 0.00 175.10 176.08 3kqf s VAL 185 N 0.63 0.55 0.53 2.92 -7.23 -0.50 -4.94 120.40 112.36 3kqf s VAL 185 Ca -0.13 -1.92 -0.21 0.00 -1.81 0.00 0.00 61.98 57.91 3kqf s VAL 185 Cb -0.15 -1.75 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 3kqf s VAL 185 CO 0.03 -0.80 1.08 -2.65 -0.31 0.00 0.00 175.10 172.45 3kqf n PRO 186 N -0.05 1.27 -0.29 4.82 -0.02 -1.26 -0.44 135.00 139.03 3kqf n PRO 186 Ca -0.11 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3kqf n PRO 186 Cb 0.61 -2.24 0.24 0.00 -0.02 0.00 0.00 33.50 32.10 3kqf n PRO 186 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3kqf h VAL 187 N 1.10 0.66 0.00 -1.45 3.04 -1.93 0.08 116.25 117.75 3kqf h VAL 187 Ca -0.48 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3kqf h VAL 187 Cb 1.34 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3kqf h VAL 187 CO 0.54 0.10 0.00 0.00 -1.01 0.00 0.00 177.57 177.20 3kqf n HIS 188 N -4.93 0.00 0.40 3.17 1.44 -1.26 -2.52 115.22 111.52 3kqf n HIS 188 Ca 0.18 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.93 3kqf n HIS 188 Cb 0.48 -0.25 0.02 0.00 0.12 0.00 0.00 29.99 30.36 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 -1.25 1.51 0.05 2.39 4.77 -0.00 -4.76 117.00 119.71 3kqf n LEU 189 Ca 0.10 -0.90 -0.11 0.00 -0.03 0.00 0.00 56.01 55.07 3kqf n LEU 189 Cb 0.14 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3kqf n LEU 189 CO 0.14 0.30 0.70 0.25 -1.33 0.00 0.00 177.39 177.44 3kqf h LEU 190 N 1.50 -0.74 -0.16 2.23 5.85 -1.30 -1.34 115.31 121.35 3kqf h LEU 190 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kqf h LEU 190 Cb 0.36 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3kqf h LEU 190 CO 0.00 -0.31 0.09 -0.08 -0.34 0.00 0.00 178.44 177.79 3kqf h GLU 191 N -0.38 0.21 -0.22 1.25 4.81 -1.86 -1.16 114.58 117.24 3kqf h GLU 191 Ca 0.07 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3kqf h GLU 191 Cb 0.47 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3kqf h GLU 191 CO -0.23 0.21 -0.21 1.05 -0.73 0.00 0.00 179.01 179.10 3kqf h GLU 192 N 0.16 0.39 -0.07 1.92 4.11 -1.84 -0.59 114.58 118.66 3kqf h GLU 192 Ca 0.06 -0.13 -0.18 0.00 0.07 0.00 0.00 59.36 59.18 3kqf h GLU 192 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3kqf h GLU 192 CO -0.01 0.59 -0.73 -0.22 0.07 0.00 0.00 179.01 178.71 3kqf h LYS 193 N 0.36 0.35 -0.50 1.06 3.11 -1.07 0.18 116.57 120.06 3kqf h LYS 193 Ca 0.06 -0.29 -0.10 0.00 -2.81 0.00 0.00 60.65 57.51 3kqf h LYS 193 Cb 0.57 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.84 3kqf h LYS 193 CO 0.04 0.93 -0.09 0.00 -2.81 0.00 0.00 179.45 177.52 3kqf h ALA 194 N 0.99 0.68 -0.43 5.00 0.00 -0.89 -2.09 119.26 122.52 3kqf h ALA 194 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3kqf h ALA 194 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kqf h ALA 194 CO 0.12 0.57 -0.10 0.82 0.00 0.00 0.00 179.25 180.66 3kqf h ILE 195 N 0.80 1.27 -0.35 0.00 2.04 -0.90 -0.51 117.51 119.85 3kqf h ILE 195 Ca 0.13 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.83 3kqf h ILE 195 Cb 0.64 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3kqf h ILE 195 CO 0.04 0.41 0.13 -0.08 0.00 0.00 0.00 178.15 178.65 3kqf h GLU 196 N 0.65 0.28 -0.30 2.37 4.81 -0.54 0.16 114.58 122.00 3kqf h GLU 196 Ca 0.11 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3kqf h GLU 196 Cb 0.63 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3kqf h GLU 196 CO 0.04 0.18 -0.04 0.82 -0.73 0.00 0.00 179.01 179.28 3kqf h ILE 197 N 0.29 1.27 -0.95 2.32 2.04 -1.25 -2.65 117.51 118.58 3kqf h ILE 197 Ca 0.16 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 65.03 3kqf h ILE 197 Cb 0.12 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3kqf h ILE 197 CO -0.15 0.34 0.61 0.00 0.00 0.00 0.00 178.15 178.94 3kqf h ALA 198 N 0.81 1.30 -0.56 1.87 0.00 -0.71 -1.95 119.26 120.02 3kqf h ALA 198 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3kqf h ALA 198 Cb 0.51 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kqf h ALA 198 CO 0.02 0.40 0.14 0.93 0.00 0.00 0.00 179.25 180.75 3kqf h GLU 199 N 1.12 0.86 -0.39 0.00 5.08 -0.55 0.72 114.58 121.42 3kqf h GLU 199 Ca 0.40 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3kqf h GLU 199 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kqf h GLU 199 CO -0.16 0.77 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.31 3kqf h LYS 200 N 0.83 0.74 -0.56 2.33 3.64 -1.04 -1.93 116.57 120.59 3kqf h LYS 200 Ca 0.18 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3kqf h LYS 200 Cb 0.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3kqf h LYS 200 CO -0.00 0.88 0.25 0.82 -2.27 0.00 0.00 179.45 179.12 3kqf h ILE 201 N 0.55 1.21 0.00 2.00 2.04 -0.99 -2.54 117.51 119.79 3kqf h ILE 201 Ca 0.10 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3kqf h ILE 201 Cb 0.60 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3kqf h ILE 201 CO 0.04 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.44 3kqf h ALA 202 N 1.09 1.00 -0.00 1.87 0.00 -0.69 -1.97 119.26 120.55 3kqf h ALA 202 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kqf h ALA 202 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kqf h ALA 202 CO -0.02 0.00 -0.30 -1.13 0.00 0.00 0.00 179.25 177.80 3kqf n SER 203 N -2.58 0.69 -4.95 0.00 3.41 -0.74 -4.90 113.62 104.55 3kqf n SER 203 Ca 0.00 -0.53 -0.23 0.00 -0.26 0.00 0.00 58.87 57.85 3kqf n SER 203 Cb 0.19 0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.70 5.57 0.02 4.04 0.01 -0.74 -4.87 114.94 116.27 3kqf s ASN 204 Ca 0.20 0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 52.35 3kqf s ASN 204 Cb 0.19 -1.37 -0.09 0.00 0.41 0.00 0.00 41.25 40.39 3kqf s ASN 204 CO 0.57 -0.95 2.00 0.61 -1.51 0.00 0.00 177.10 177.83 3kqf n GLY 205 N -2.30 1.81 0.29 0.66 0.00 -1.26 -4.89 105.19 99.49 3kqf n GLY 205 Ca 0.04 0.82 -0.03 0.00 0.00 0.00 0.00 46.02 46.85 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 10.99 0.74 -0.57 1.61 0.13 -1.91 -0.08 132.00 142.91 3kqf h PRO 206 Ca -0.49 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.42 3kqf h PRO 206 Cb 1.24 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3kqf h PRO 206 CO 0.94 0.72 0.16 0.82 -0.23 0.00 0.00 178.00 180.41 3kqf h ILE 207 N 0.71 1.24 -0.28 -3.56 2.04 -1.91 -1.74 117.51 114.00 3kqf h ILE 207 Ca 0.15 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3kqf h ILE 207 Cb 0.36 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3kqf h ILE 207 CO 0.01 0.31 0.05 0.00 0.00 0.00 0.00 178.15 178.53 3kqf h ALA 208 N 1.03 0.37 -0.70 1.87 0.00 -1.84 -0.07 119.26 119.93 3kqf h ALA 208 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kqf h ALA 208 Cb 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3kqf h ALA 208 CO -0.00 0.05 0.40 0.28 0.00 0.00 0.00 179.25 179.98 3kqf h VAL 209 N 0.28 1.21 -0.59 0.00 2.07 -0.97 0.14 116.25 118.39 3kqf h VAL 209 Ca 0.09 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3kqf h VAL 209 Cb 0.32 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3kqf h VAL 209 CO 0.00 0.22 0.16 0.03 0.02 0.00 0.00 177.57 178.01 3kqf h ARG 210 N 0.95 0.94 -0.31 1.57 3.08 -1.17 -1.36 114.38 118.08 3kqf h ARG 210 Ca 0.25 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3kqf h ARG 210 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3kqf h ARG 210 CO -0.04 0.85 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.41 3kqf h LEU 211 N 0.85 0.60 -0.37 3.04 3.38 -0.64 -2.10 115.31 120.07 3kqf h LEU 211 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3kqf h LEU 211 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kqf h LEU 211 CO -0.00 0.82 0.19 0.00 0.09 0.00 0.00 178.44 179.54 3kqf h ALA 212 N 1.23 0.47 -0.61 1.53 0.00 -0.43 -0.66 119.26 120.79 3kqf h ALA 212 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kqf h ALA 212 Cb 0.68 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3kqf h ALA 212 CO 0.05 0.02 0.38 -0.22 0.00 0.00 0.00 179.25 179.48 3kqf h LYS 213 N 0.46 0.73 0.06 0.00 3.64 -0.88 -1.07 116.57 119.50 3kqf h LYS 213 Ca 0.13 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3kqf h LYS 213 Cb 0.09 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3kqf h LYS 213 CO -0.02 0.48 -0.03 0.93 -2.27 0.00 0.00 179.45 178.55 3kqf h GLU 214 N 0.75 -0.07 -0.32 1.90 4.39 -1.15 -0.04 114.58 120.04 3kqf h GLU 214 Ca 0.24 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3kqf h GLU 214 Cb 0.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3kqf h GLU 214 CO -0.09 -0.03 0.17 0.00 -1.16 0.00 0.00 179.01 177.90 3kqf h ALA 215 N 0.84 0.41 0.13 3.43 0.00 -0.93 -1.58 119.26 121.55 3kqf h ALA 215 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kqf h ALA 215 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kqf h ALA 215 CO 0.01 -0.06 -0.06 0.82 0.00 0.00 0.00 179.25 179.97 3kqf h ILE 216 N 0.39 1.02 -0.86 0.00 2.04 -1.20 0.28 117.51 119.19 3kqf h ILE 216 Ca 0.11 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3kqf h ILE 216 Cb 0.08 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3kqf h ILE 216 CO -0.02 0.16 0.48 0.28 0.00 0.00 0.00 178.15 179.05 3kqf h SER 217 N -0.49 1.07 0.10 1.72 0.02 -0.94 -2.29 113.55 112.74 3kqf h SER 217 Ca -0.02 -0.10 -0.26 0.00 -0.84 0.00 0.00 61.79 60.57 3kqf h SER 217 Cb 0.39 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3kqf h SER 217 CO 0.03 0.86 -1.36 0.78 -1.14 0.00 0.00 176.83 176.00 3kqf h ASN 218 N 1.20 0.34 -0.83 3.07 2.35 -1.39 -3.40 115.58 116.93 3kqf h ASN 218 Ca 0.30 -0.84 0.02 0.00 -0.55 0.00 0.00 56.30 55.24 3kqf h ASN 218 Cb 0.02 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 3kqf h ASN 218 CO -0.05 1.59 0.55 1.23 -1.65 0.00 0.00 177.43 179.10 3kqf h GLY 219 N -0.02 1.18 2.00 2.83 0.00 -0.94 -2.43 103.07 105.69 3kqf h GLY 219 Ca -0.30 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3kqf h GLY 219 CO 0.04 0.38 0.00 4.51 0.00 0.00 0.00 176.54 181.48 3kqf n ILE 220 N -4.43 0.89 1.08 2.60 0.13 -0.86 -2.61 119.36 116.16 3kqf n ILE 220 Ca 0.10 0.41 0.14 0.00 -1.10 0.00 0.00 62.75 62.30 3kqf n ILE 220 Cb 0.07 -1.37 0.55 0.00 -0.84 0.00 0.00 39.64 38.05 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 -2.27 0.11 -1.83 9.51 1.13 -0.91 -4.92 117.38 118.20 3kqf n GLN 221 Ca 0.01 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3kqf n GLN 221 Cb 0.16 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.01 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 -1.42 0.00 -1.82 5.09 0.24 -1.07 -5.14 118.33 114.20 3kqf n VAL 222 Ca 0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.06 3kqf n VAL 222 Cb 0.32 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.73 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 -0.83 5.39 0.22 -1.34 -4.77 -1.26 -4.83 116.67 109.25 3kqf s ASP 223 Ca 0.00 1.86 -0.08 0.00 -3.30 0.00 0.00 52.55 51.03 3kqf s ASP 223 Cb 0.00 -2.53 0.28 0.00 -1.09 0.00 0.00 42.92 39.58 3kqf s ASP 223 CO 0.00 -1.44 1.80 0.25 0.70 0.00 0.00 175.17 176.48 3kqf h LEU 224 N 0.03 0.52 -0.38 2.11 5.85 -1.98 -0.75 115.31 120.71 3kqf h LEU 224 Ca -0.46 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.32 3kqf h LEU 224 Cb 1.23 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3kqf h LEU 224 CO 0.56 0.32 0.20 -0.74 -0.34 0.00 0.00 178.44 178.44 3kqf h HIS 225 N 0.66 0.38 -0.35 1.25 2.76 -1.98 0.78 115.15 118.65 3kqf h HIS 225 Ca 0.32 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.44 3kqf h HIS 225 Cb 0.27 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 3kqf h HIS 225 CO -0.09 0.21 -0.06 1.15 -1.30 0.00 0.00 177.93 177.84 3kqf h THR 226 N 0.42 1.27 -0.77 6.26 2.02 -1.85 -2.84 112.91 117.42 3kqf h THR 226 Ca 0.16 -1.10 0.12 0.00 0.77 0.00 0.00 66.41 66.35 3kqf h THR 226 Cb 0.04 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 3kqf h THR 226 CO -0.09 0.36 0.37 1.23 0.37 0.00 0.00 175.52 177.76 3kqf h GLY 227 N 0.45 1.18 1.84 2.16 0.00 -0.75 0.15 103.07 108.10 3kqf h GLY 227 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3kqf h GLY 227 CO 0.03 0.00 0.07 1.41 0.00 0.00 0.00 176.54 178.05 3kqf h LEU 228 N 0.58 0.19 -2.35 3.11 3.38 -0.65 -1.27 115.31 118.29 3kqf h LEU 228 Ca 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3kqf h LEU 228 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kqf h LEU 228 CO -0.32 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.37 3kqf n GLN 229 N -4.48 0.61 0.00 1.13 1.13 0.04 -1.44 117.38 114.37 3kqf n GLN 229 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3kqf n GLN 229 Cb 0.10 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 0.95 0.00 -0.22 -1.09 2.13 -0.48 -1.81 120.64 120.12 3kqf n GLU 231 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 3kqf n GLU 231 Cb 0.31 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.11 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 0.61 -0.29 5.31 3.64 -1.52 0.10 116.57 124.43 3kqf h LYS 232 Ca 0.00 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 3kqf h LYS 232 Cb 0.00 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3kqf h LYS 232 CO 0.00 0.41 -0.40 0.37 -2.27 0.00 0.00 179.45 177.55 3kqf h GLN 233 N 0.63 0.69 -0.66 1.90 5.75 -1.64 -2.76 115.11 119.02 3kqf h GLN 233 Ca 0.29 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3kqf h GLN 233 Cb 0.20 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3kqf h GLN 233 CO -0.19 0.97 0.34 0.00 -2.65 0.00 0.00 178.83 177.30 3kqf h ALA 234 N 0.98 0.84 -0.37 3.38 0.00 -1.67 -2.23 119.26 120.21 3kqf h ALA 234 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kqf h ALA 234 Cb 0.94 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3kqf h ALA 234 CO 0.08 0.38 0.22 -0.92 0.00 0.00 0.00 179.25 179.01 3kqf h TYR 235 N 0.90 0.47 -0.09 0.00 3.20 -0.54 -0.06 116.97 120.85 3kqf h TYR 235 Ca 0.23 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.13 3kqf h TYR 235 Cb 0.07 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3kqf h TYR 235 CO -0.00 0.32 0.09 0.93 -1.64 0.00 0.00 178.16 177.86 3kqf h GLU 236 N 0.50 0.00 0.00 1.82 4.39 -1.13 -1.47 114.58 118.69 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 -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 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 -0.99 -3.22 103.07 95.02 3kqf h GLY 237 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 3kqf h GLY 237 CO -0.00 0.00 -1.98 3.33 0.00 0.00 0.00 176.54 177.89 3kqf n VAL 238 N -2.49 0.37 -0.32 4.60 0.24 -0.58 -4.67 118.33 115.47 3kqf n VAL 238 Ca 0.03 -0.53 0.07 0.00 -2.04 0.00 0.00 64.34 61.87 3kqf n VAL 238 Cb 0.34 -0.12 0.24 0.00 -1.47 0.00 0.00 33.84 32.83 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 0.80 -0.65 1.34 2.04 -1.49 -2.60 117.51 116.96 3kqf h ILE 239 Ca -0.14 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kqf h ILE 239 Cb 1.24 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3kqf h ILE 239 CO 0.01 0.14 0.00 1.57 0.00 0.00 0.00 178.15 179.87 3kqf n HIS 240 N -4.77 0.87 -2.89 1.37 -0.00 -1.26 -4.97 115.22 103.57 3kqf n HIS 240 Ca 0.18 -0.43 -0.35 0.00 0.46 0.00 0.00 57.72 57.57 3kqf n HIS 240 Cb 0.41 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.22 3kqf n HIS 240 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 3kqf s THR 241 N -1.13 4.37 0.29 3.57 -4.23 -0.98 -4.96 115.64 112.57 3kqf s THR 241 Ca 0.44 1.54 0.15 0.00 -1.18 0.00 0.00 61.69 62.64 3kqf s THR 241 Cb 0.23 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 70.32 3kqf s THR 241 CO 0.30 0.00 1.75 0.11 -0.54 0.00 0.00 174.62 176.24 3kqf h LYS 242 N 2.80 0.00 -0.91 3.99 1.57 -1.26 -3.10 116.57 119.66 3kqf h LYS 242 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3kqf h LYS 242 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 3kqf h LYS 242 CO 0.64 0.43 0.51 -0.44 -0.57 0.00 0.00 179.45 180.03 3kqf h ASP 243 N 0.00 1.12 -0.68 0.86 3.32 -1.93 -0.76 116.42 118.35 3kqf h ASP 243 Ca -0.00 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.99 3kqf h ASP 243 Cb 0.84 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 3kqf h ASP 243 CO 0.06 0.89 0.41 -0.09 -1.72 0.00 0.00 179.24 178.78 3kqf h ARG 244 N 1.26 0.77 -0.50 3.56 2.43 -1.80 0.11 114.38 120.21 3kqf h ARG 244 Ca 0.32 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.36 3kqf h ARG 244 Cb 0.00 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 3kqf h ARG 244 CO -0.05 0.51 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.81 3kqf h LEU 245 N 0.79 0.90 -1.45 3.80 3.38 -1.47 -2.10 115.31 119.16 3kqf h LEU 245 Ca 0.28 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kqf h LEU 245 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3kqf h LEU 245 CO -0.13 1.00 0.30 -0.08 0.09 0.00 0.00 178.44 179.62 3kqf h GLU 246 N 0.77 0.66 -0.10 1.13 4.57 -0.51 -0.49 114.58 120.61 3kqf h GLU 246 Ca 0.14 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3kqf h GLU 246 Cb 0.56 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3kqf h GLU 246 CO 0.03 0.47 -0.00 0.78 -1.18 0.00 0.00 179.01 179.11 3kqf h GLY 247 N 0.72 0.19 1.66 1.92 0.00 -0.41 0.29 103.07 107.43 3kqf h GLY 247 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3kqf h GLY 247 CO -0.03 0.13 -0.04 1.41 0.00 0.00 0.00 176.54 178.01 3kqf h LEU 248 N -0.11 0.40 0.00 3.11 3.38 -1.08 -1.11 115.31 119.91 3kqf h LEU 248 Ca 0.03 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3kqf h LEU 248 Cb 0.36 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kqf h LEU 248 CO 0.01 0.50 -0.37 1.56 0.09 0.00 0.00 178.44 180.22 3kqf h GLN 249 N 0.41 0.25 -0.60 1.13 4.20 -0.91 -2.43 115.11 117.15 3kqf h GLN 249 Ca 0.09 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3kqf h GLN 249 Cb 0.33 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3kqf h GLN 249 CO 0.01 0.99 0.20 0.00 -0.67 0.00 0.00 178.83 179.37 3kqf h ALA 250 N 0.26 1.22 0.08 3.87 0.00 -0.41 -1.09 119.26 123.20 3kqf h ALA 250 Ca -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kqf h ALA 250 Cb 1.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kqf h ALA 250 CO 0.07 0.55 -0.04 0.35 0.00 0.00 0.00 179.25 180.19 3kqf h PHE 251 N 0.88 -0.10 -0.65 0.00 3.57 -1.26 -0.87 116.94 118.51 3kqf h PHE 251 Ca 0.20 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3kqf h PHE 251 Cb 0.23 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3kqf h PHE 251 CO 0.02 0.14 0.43 -0.22 -2.23 0.00 0.00 178.31 176.44 3kqf h LYS 252 N -0.32 0.81 -0.01 1.11 3.64 -1.22 -2.05 116.57 118.53 3kqf h LYS 252 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3kqf h LYS 252 Cb 0.28 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3kqf h LYS 252 CO 0.02 0.54 -0.04 0.39 -2.27 0.00 0.00 179.45 178.09 3kqf n GLU 253 N -4.45 1.51 -3.55 1.90 1.02 -0.43 -4.97 120.64 111.67 3kqf n GLU 253 Ca 0.07 -0.86 -0.25 0.00 -0.02 0.00 0.00 57.16 56.11 3kqf n GLU 253 Cb 0.07 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.06 3kqf n GLU 253 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kqf n LYS 254 N 0.01 -2.17 -4.14 3.49 4.01 -0.48 -5.02 118.16 113.86 3kqf n LYS 254 Ca 0.18 0.61 -0.11 0.00 -0.51 0.00 0.00 58.31 58.48 3kqf n LYS 254 Cb 0.34 -4.83 -0.09 0.00 -0.51 0.00 0.00 35.03 29.95 3kqf n LYS 254 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3kqf s ARG 255 N -5.50 1.17 -0.00 1.97 1.70 -0.46 -5.05 118.95 112.78 3kqf s ARG 255 Ca 0.39 -1.49 -0.30 0.00 -0.47 0.00 0.00 55.73 53.86 3kqf s ARG 255 Cb -0.11 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 3kqf s ARG 255 CO 0.82 -0.39 1.35 0.99 -1.08 0.00 0.00 175.30 176.98 3kqf s THR 256 N -4.10 3.83 0.00 4.99 2.01 -1.26 -4.51 115.64 116.61 3kqf s THR 256 Ca 0.31 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3kqf s THR 256 Cb 0.06 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.79 3kqf s THR 256 CO 0.08 0.01 0.00 -0.81 -0.69 0.00 0.00 174.62 173.20 3kqf n PRO 257 N 5.21 2.95 -3.61 4.92 -0.04 -1.26 -4.98 135.00 138.17 3kqf n PRO 257 Ca 0.12 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 3kqf n PRO 257 Cb 0.44 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.21 -0.02 0.54 2.02 -1.26 -5.05 117.35 113.37 3kqf s TYR 259 Ca 0.00 0.39 0.03 0.00 -0.37 0.00 0.00 57.07 57.11 3kqf s TYR 259 Cb 0.00 0.47 0.04 0.00 -0.40 0.00 0.00 41.96 42.06 3kqf s TYR 259 CO 0.00 -0.18 0.96 0.36 -1.57 0.00 0.00 175.55 175.12 3kqf n LYS 260 N 0.80 0.23 -3.07 -0.62 2.85 -1.26 -5.01 118.16 112.09 3kqf n LYS 260 Ca -0.06 -1.16 -0.13 0.00 -1.05 0.00 0.00 58.31 55.91 3kqf n LYS 260 Cb 0.58 -0.64 0.05 0.00 -0.65 0.00 0.00 35.03 34.37 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 -0.20 0.04 0.00 2.58 0.00 -1.26 -5.09 105.19 101.25 3kqf n GLY 261 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3kqf n GLY 261 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50