#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 0.62 0.00 3.23 1.13 -1.26 -4.65 117.38 116.45 3kqf n GLN 5 Ca 0.00 0.38 0.10 0.00 -1.94 0.00 0.00 57.00 55.54 3kqf n GLN 5 Cb 0.00 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 28.67 3kqf n GLN 5 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3kqf n ASN 6 N -4.05 1.64 -3.91 1.08 3.02 -1.26 -4.90 115.26 106.87 3kqf n ASN 6 Ca -0.40 -1.32 -0.10 0.00 -0.03 0.00 0.00 54.58 52.73 3kqf n ASN 6 Cb 0.85 0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 40.56 3kqf n ASN 6 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3kqf s ILE 7 N -2.50 0.12 0.04 2.41 -4.36 -1.26 -0.44 121.20 115.20 3kqf s ILE 7 Ca 0.14 -0.95 0.08 0.00 -0.26 0.00 0.00 60.65 59.66 3kqf s ILE 7 Cb 0.16 -0.71 -0.03 0.00 1.25 0.00 0.00 42.46 43.14 3kqf s ILE 7 CO 0.62 -0.52 -0.23 -0.94 0.24 0.00 0.00 174.94 174.11 3kqf s SER 8 N -1.85 2.73 0.02 4.36 1.04 -0.34 -2.69 113.70 116.97 3kqf s SER 8 Ca -0.09 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 55.88 3kqf s SER 8 Cb -0.04 -0.24 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 3kqf s SER 8 CO -0.02 0.20 -0.22 -0.69 0.98 0.00 0.00 173.24 173.49 3kqf s VAL 9 N -0.78 1.77 -0.10 5.02 1.01 -1.26 -0.60 120.40 125.45 3kqf s VAL 9 Ca 0.09 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 3kqf s VAL 9 Cb -0.09 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.82 3kqf s VAL 9 CO 0.02 0.33 0.04 -0.62 0.00 0.00 0.00 175.10 174.87 3kqf s ASP 10 N -0.96 1.84 -0.19 3.32 3.68 -0.47 -4.98 116.67 118.91 3kqf s ASP 10 Ca 0.09 -0.27 0.16 0.00 2.13 0.00 0.00 52.55 54.66 3kqf s ASP 10 Cb -0.09 -0.36 0.51 0.00 -1.45 0.00 0.00 42.92 41.54 3kqf s ASP 10 CO 0.01 -0.26 1.41 -1.22 0.13 0.00 0.00 175.17 175.24 3kqf n TYR 11 N 5.19 0.90 0.24 -5.34 4.01 -1.26 -0.84 117.16 120.07 3kqf n TYR 11 Ca -0.06 -0.97 0.11 0.00 -0.16 0.00 0.00 57.90 56.81 3kqf n TYR 11 Cb 0.49 -0.33 0.61 0.00 -0.31 0.00 0.00 39.34 39.81 3kqf n TYR 11 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqf h ALA 12 N 1.57 1.19 -2.71 -0.72 0.00 -1.95 -3.41 119.26 113.23 3kqf h ALA 12 Ca 0.03 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 54.16 3kqf h ALA 12 Cb 1.45 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 3kqf h ALA 12 CO 0.23 0.22 -0.18 0.99 0.00 0.00 0.00 179.25 180.51 3kqf s THR 13 N -3.99 5.15 0.18 0.00 2.01 -1.26 -5.04 115.64 112.69 3kqf s THR 13 Ca -0.02 0.66 -0.33 0.00 0.31 0.00 0.00 61.69 62.31 3kqf s THR 13 Cb 0.12 -3.73 -0.15 0.00 0.01 0.00 0.00 72.50 68.75 3kqf s THR 13 CO 0.61 0.15 1.30 -2.65 -0.69 0.00 0.00 174.62 173.34 3kqf n PRO 14 N 5.26 1.51 -0.66 4.92 -0.02 -1.26 -1.70 135.00 143.05 3kqf n PRO 14 Ca -0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3kqf n PRO 14 Cb 0.51 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 1.93 0.00 -5.05 6.00 8.25 -1.26 -4.96 115.22 120.12 3kqf n HIS 15 Ca 0.15 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.33 3kqf n HIS 15 Cb 0.26 -1.03 -0.16 0.00 1.12 0.00 0.00 29.99 30.18 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 -1.93 1.69 -0.06 1.59 1.01 -0.69 -0.19 120.40 121.82 3kqf s VAL 16 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3kqf s VAL 16 Cb 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3kqf s VAL 16 CO 0.00 0.48 -0.23 0.54 0.00 0.00 0.00 175.10 175.89 3kqf s VAL 17 N -0.42 1.89 -0.26 2.92 0.11 -0.73 -4.34 120.40 119.56 3kqf s VAL 17 Ca 0.06 -0.96 -0.06 0.00 -2.93 0.00 0.00 61.98 58.10 3kqf s VAL 17 Cb -0.09 -1.61 -0.00 0.00 -1.53 0.00 0.00 36.38 33.15 3kqf s VAL 17 CO -0.00 0.53 0.03 -0.54 -3.33 0.00 0.00 175.10 171.79 3kqf s LYS 18 N 0.02 3.24 -0.22 1.54 -0.14 -0.02 -0.77 119.74 123.39 3kqf s LYS 18 Ca -0.07 -0.74 -0.07 0.00 -1.36 0.00 0.00 55.97 53.72 3kqf s LYS 18 Cb -0.14 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 3kqf s LYS 18 CO 0.05 -0.33 0.07 0.42 -0.76 0.00 0.00 175.35 174.79 3kqf s ILE 19 N 1.50 4.49 -0.11 2.17 1.01 0.14 -1.37 121.20 129.03 3kqf s ILE 19 Ca 0.04 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.58 3kqf s ILE 19 Cb -0.16 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 3kqf s ILE 19 CO 0.00 0.38 -0.16 -0.44 0.00 0.00 0.00 174.94 174.72 3kqf s SER 20 N 1.12 3.75 0.05 3.58 0.01 0.23 -0.97 113.70 121.47 3kqf s SER 20 Ca 0.04 -0.38 -0.31 0.00 1.31 0.00 0.00 55.95 56.62 3kqf s SER 20 Cb -0.14 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 3kqf s SER 20 CO 0.03 0.18 1.20 -0.76 0.41 0.00 0.00 173.24 174.30 3kqf s LEU 21 N 0.24 4.36 -0.56 2.44 1.43 0.36 -1.20 118.68 125.76 3kqf s LEU 21 Ca -0.11 2.00 0.07 0.00 -1.03 0.00 0.00 54.13 55.06 3kqf s LEU 21 Cb -0.16 -3.58 0.30 0.00 0.03 0.00 0.00 46.19 42.78 3kqf s LEU 21 CO 0.06 -0.48 0.80 -3.20 0.23 0.00 0.00 176.35 173.76 3kqf n ASN 22 N 4.05 3.33 -3.14 2.29 5.15 0.42 -0.62 115.26 126.74 3kqf n ASN 22 Ca 0.09 -3.41 -0.21 0.00 -0.60 0.00 0.00 54.58 50.45 3kqf n ASN 22 Cb 0.46 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 39.06 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 0.40 1.49 -0.32 1.20 1.74 -1.26 -4.55 116.66 115.36 3kqf n ARG 23 Ca 0.29 -3.73 0.02 0.00 -0.77 0.00 0.00 57.85 53.66 3kqf n ARG 23 Cb 0.44 -1.79 0.15 0.00 -1.02 0.00 0.00 32.46 30.24 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 3.13 0.94 0.00 5.56 5.08 -1.88 0.23 114.58 127.64 3kqf h GLU 24 Ca 0.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3kqf h GLU 24 Cb 0.85 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 3kqf h GLU 24 CO 0.58 0.62 -0.08 0.00 -1.00 0.00 0.00 179.01 179.13 3kqf h ARG 25 N 0.97 0.00 -0.46 2.33 -0.00 -1.99 -1.82 114.38 113.41 3kqf h ARG 25 Ca 0.39 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.75 3kqf h ARG 25 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.11 3kqf h ARG 25 CO -0.19 0.08 0.08 1.04 0.00 0.00 0.00 179.97 180.98 3kqf n GLN 26 N -3.77 3.03 -3.10 0.04 3.00 -0.53 -4.95 117.38 111.11 3kqf n GLN 26 Ca -0.02 -3.01 -0.22 0.00 -0.01 0.00 0.00 57.00 53.73 3kqf n GLN 26 Cb 0.18 -1.98 0.02 0.00 0.00 0.00 0.00 30.24 28.45 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 -0.49 -0.99 -3.41 -1.58 0.00 -0.68 -2.14 120.51 111.22 3kqf n ALA 27 Ca 0.31 0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.72 3kqf n ALA 27 Cb 1.11 -3.42 0.01 0.00 0.00 0.00 0.00 19.45 17.15 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 -2.41 -4.48 -4.80 0.00 3.02 0.69 -1.27 115.26 106.02 3kqf n ASN 28 Ca -0.09 -0.45 -0.31 0.00 -0.03 0.00 0.00 54.58 53.70 3kqf n ASN 28 Cb 0.60 -3.65 0.06 0.00 -0.61 0.00 0.00 39.78 36.18 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 -2.84 5.08 -0.74 6.41 1.04 -0.91 -4.09 113.70 117.65 3kqf s SER 29 Ca 0.44 1.74 -0.22 0.00 0.48 0.00 0.00 55.95 58.39 3kqf s SER 29 Cb -0.22 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.47 3kqf s SER 29 CO 0.54 -1.65 1.02 -0.76 0.98 0.00 0.00 173.24 173.38 3kqf s LEU 30 N -5.53 4.51 0.47 2.42 1.43 0.10 -4.75 118.68 117.33 3kqf s LEU 30 Ca 0.60 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3kqf s LEU 30 Cb -0.16 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 3kqf s LEU 30 CO 0.53 -1.35 0.73 -0.94 0.23 0.00 0.00 176.35 175.54 3kqf s SER 31 N 3.73 6.00 0.22 2.29 1.04 -1.26 -2.51 113.70 123.22 3kqf s SER 31 Ca 0.26 0.60 -0.08 0.00 0.48 0.00 0.00 55.95 57.21 3kqf s SER 31 Cb -0.13 -1.88 0.26 0.00 0.10 0.00 0.00 66.02 64.36 3kqf s SER 31 CO 0.05 -0.66 1.84 -0.07 0.98 0.00 0.00 173.24 175.38 3kqf h LEU 32 N 0.29 0.75 -0.54 2.42 3.38 -1.98 -0.89 115.31 118.74 3kqf h LEU 32 Ca -0.47 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.52 3kqf h LEU 32 Cb 1.23 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3kqf h LEU 32 CO 0.60 0.50 0.36 0.00 0.09 0.00 0.00 178.44 179.99 3kqf h ALA 33 N 1.36 0.69 -0.52 1.53 0.00 -2.00 -1.34 119.26 118.98 3kqf h ALA 33 Ca 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3kqf h ALA 33 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kqf h ALA 33 CO -0.15 0.12 0.23 1.25 0.00 0.00 0.00 179.25 180.70 3kqf h LEU 34 N 0.73 0.69 -0.98 0.00 6.46 -1.83 -1.71 115.31 118.68 3kqf h LEU 34 Ca 0.20 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3kqf h LEU 34 Cb -0.08 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.63 3kqf h LEU 34 CO -0.05 0.65 0.63 -0.07 -0.62 0.00 0.00 178.44 178.98 3kqf h LEU 35 N 0.69 1.14 -0.32 2.25 3.38 -0.80 0.52 115.31 122.18 3kqf h LEU 35 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kqf h LEU 35 Cb 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3kqf h LEU 35 CO -0.02 0.85 0.15 -0.33 0.09 0.00 0.00 178.44 179.18 3kqf h GLU 36 N 1.34 0.46 -0.51 1.13 5.08 -0.89 0.73 114.58 121.92 3kqf h GLU 36 Ca 0.36 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3kqf h GLU 36 Cb -0.12 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3kqf h GLU 36 CO -0.07 0.44 0.28 0.93 -1.00 0.00 0.00 179.01 179.59 3kqf h GLU 37 N 0.37 0.71 -0.73 2.33 5.08 -0.82 -1.77 114.58 119.77 3kqf h GLU 37 Ca 0.11 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3kqf h GLU 37 Cb 0.13 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3kqf h GLU 37 CO -0.01 0.55 0.34 1.25 -1.00 0.00 0.00 179.01 180.13 3kqf h LEU 38 N 0.68 0.97 -0.47 1.33 5.85 -0.63 -1.78 115.31 121.26 3kqf h LEU 38 Ca 0.18 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kqf h LEU 38 Cb 0.04 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3kqf h LEU 38 CO -0.03 0.84 0.29 1.56 -0.34 0.00 0.00 178.44 180.77 3kqf h GLN 39 N 1.02 0.58 -0.63 1.25 4.20 -0.61 -0.77 115.11 120.15 3kqf h GLN 39 Ca 0.25 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.95 3kqf h GLN 39 Cb 0.14 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3kqf h GLN 39 CO -0.03 0.38 0.39 -0.91 -0.67 0.00 0.00 178.83 178.00 3kqf h ASN 40 N 0.60 0.64 -0.04 1.46 4.21 -0.96 -0.63 115.58 120.87 3kqf h ASN 40 Ca 0.18 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.54 3kqf h ASN 40 Cb -0.03 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.02 3kqf h ASN 40 CO -0.06 0.45 -0.49 -0.29 -1.29 0.00 0.00 177.43 175.75 3kqf h ILE 41 N 0.77 1.31 -0.45 2.81 6.09 -1.09 -2.40 117.51 124.55 3kqf h ILE 41 Ca 0.25 -1.70 -0.07 0.00 -1.37 0.00 0.00 64.86 61.97 3kqf h ILE 41 Cb 0.01 1.67 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 3kqf h ILE 41 CO -0.10 0.54 -0.01 -0.07 -3.07 0.00 0.00 178.15 175.43 3kqf h LEU 42 N 0.47 0.71 -0.47 2.19 3.38 -0.83 -0.40 115.31 120.36 3kqf h LEU 42 Ca 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kqf h LEU 42 Cb 1.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3kqf h LEU 42 CO 0.10 0.78 0.24 0.74 0.09 0.00 0.00 178.44 180.39 3kqf h THR 43 N 0.69 1.18 -0.26 0.22 2.02 -0.91 -0.93 112.91 114.92 3kqf h THR 43 Ca 0.14 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 3kqf h THR 43 Cb 0.44 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3kqf h THR 43 CO 0.02 0.19 0.05 -0.61 0.37 0.00 0.00 175.52 175.54 3kqf h GLN 44 N 0.62 0.42 -0.64 6.66 4.15 -1.16 -3.17 115.11 121.99 3kqf h GLN 44 Ca 0.16 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 3kqf h GLN 44 Cb 0.09 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 3kqf h GLN 44 CO -0.02 0.53 0.25 0.82 -1.93 0.00 0.00 178.83 178.48 3kqf h ILE 45 N 0.24 1.22 -0.92 2.39 2.04 -0.89 -2.25 117.51 119.34 3kqf h ILE 45 Ca 0.08 -0.70 0.25 0.00 1.00 0.00 0.00 64.86 65.48 3kqf h ILE 45 Cb 0.31 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 3kqf h ILE 45 CO 0.00 0.28 0.64 -1.13 0.00 0.00 0.00 178.15 177.94 3kqf h ASN 46 N 0.91 0.16 -0.44 1.72 -1.24 -1.14 -0.21 115.58 115.35 3kqf h ASN 46 Ca 0.22 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.25 3kqf h ASN 46 Cb 0.18 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.22 3kqf h ASN 46 CO -0.02 0.05 0.00 -0.62 -1.29 0.00 0.00 177.43 175.56 3kqf n GLU 47 N -4.37 2.56 -3.02 6.67 -0.58 -0.85 -4.83 120.64 116.21 3kqf n GLU 47 Ca 0.19 -2.36 -0.44 0.00 -0.42 0.00 0.00 57.16 54.13 3kqf n GLU 47 Cb 0.88 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 30.19 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 -1.43 3.17 0.41 3.49 2.02 -0.09 -4.90 118.70 121.37 3kqf s GLU 48 Ca 0.41 -1.29 0.10 0.00 0.02 0.00 0.00 54.97 54.20 3kqf s GLU 48 Cb 0.23 -4.35 0.86 0.00 0.10 0.00 0.00 34.13 30.98 3kqf s GLU 48 CO 0.32 -1.65 1.97 0.00 0.02 0.00 0.00 175.26 175.93 3kqf h ALA 49 N 9.19 1.61 0.00 5.21 0.00 -1.89 -2.31 119.26 131.06 3kqf h ALA 49 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kqf h ALA 49 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3kqf h ALA 49 CO 1.11 0.29 0.00 -1.71 0.00 0.00 0.00 179.25 178.94 3kqf n ASN 50 N -4.35 0.58 -4.64 0.00 5.15 -1.26 -4.66 115.26 106.08 3kqf n ASN 50 Ca -0.00 0.58 -0.41 0.00 -0.60 0.00 0.00 54.58 54.14 3kqf n ASN 50 Cb 0.21 -0.72 -0.05 0.00 -0.53 0.00 0.00 39.78 38.68 3kqf n ASN 50 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqf s THR 51 N -3.12 4.90 -0.10 -0.44 2.01 -0.87 -4.33 115.64 113.68 3kqf s THR 51 Ca 0.10 1.38 0.15 0.00 0.31 0.00 0.00 61.69 63.62 3kqf s THR 51 Cb 0.13 -4.04 -0.21 0.00 0.01 0.00 0.00 72.50 68.38 3kqf s THR 51 CO 0.52 -0.03 0.17 0.54 -0.69 0.00 0.00 174.62 175.13 3kqf n ARG 52 N 5.89 1.11 -3.79 4.92 1.74 0.74 -4.87 116.66 122.39 3kqf n ARG 52 Ca 0.03 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 3kqf n ARG 52 Cb 0.48 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.68 0.04 -0.05 1.55 1.01 -1.03 -4.17 120.40 115.08 3kqf s VAL 53 Ca -0.07 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3kqf s VAL 53 Cb 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3kqf s VAL 53 CO 0.65 -0.16 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 3kqf s VAL 54 N -0.64 2.50 -0.09 2.92 1.01 -0.37 -1.78 120.40 123.95 3kqf s VAL 54 Ca -0.07 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3kqf s VAL 54 Cb -0.04 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3kqf s VAL 54 CO 0.02 0.58 -0.19 -0.63 0.00 0.00 0.00 175.10 174.87 3kqf s ILE 55 N -0.49 2.53 -0.12 2.22 1.01 0.05 -0.36 121.20 126.05 3kqf s ILE 55 Ca 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3kqf s ILE 55 Cb -0.11 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.36 3kqf s ILE 55 CO 0.01 0.56 -0.22 -0.22 0.00 0.00 0.00 174.94 175.07 3kqf s LEU 56 N 0.05 2.19 0.35 2.97 2.96 -0.06 0.28 118.68 127.43 3kqf s LEU 56 Ca -0.08 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 3kqf s LEU 56 Cb -0.15 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.09 3kqf s LEU 56 CO 0.05 0.13 0.51 0.28 -1.32 0.00 0.00 176.35 176.00 3kqf s THR 57 N 0.52 0.00 0.16 3.68 -1.32 -0.14 -0.58 115.64 117.95 3kqf s THR 57 Ca -0.13 -1.55 0.09 0.00 -1.21 0.00 0.00 61.69 58.89 3kqf s THR 57 Cb -0.17 -2.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.11 3kqf s THR 57 CO 0.05 0.00 -0.12 -0.83 -2.21 0.00 0.00 174.62 171.50 3kqf s GLY 58 N -3.23 1.73 0.50 6.08 0.00 -1.26 -0.49 107.32 110.65 3kqf s GLY 58 Ca 0.29 -1.43 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 3kqf s GLY 58 CO 0.20 -1.44 1.05 0.00 0.00 0.00 0.00 173.10 172.91 3kqf s ALA 59 N -1.53 2.84 0.00 3.20 0.00 0.20 -4.80 121.76 121.68 3kqf s ALA 59 Ca 0.23 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.80 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 0.14 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3kqf n GLY 60 N -0.25 -2.26 0.19 0.00 0.00 -1.26 -4.55 105.19 97.05 3kqf n GLY 60 Ca 0.09 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.31 2.39 -0.09 1.61 2.13 -1.26 -4.71 120.64 120.39 3kqf n GLU 61 Ca 0.00 -1.51 -0.13 0.00 0.66 0.00 0.00 57.16 56.18 3kqf n GLU 61 Cb 0.00 -1.08 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 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 -0.12 0.64 -3.89 5.31 5.02 -1.26 -4.69 118.16 119.17 3kqf n LYS 62 Ca 0.03 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 3kqf n LYS 62 Cb 0.27 -1.39 -0.15 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.39 0.09 -0.13 7.82 0.00 -1.26 -1.16 121.76 124.74 3kqf s ALA 63 Ca -0.23 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 3kqf s ALA 63 Cb 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.04 3kqf s ALA 63 CO 0.47 -0.01 0.08 0.35 0.00 0.00 0.00 175.76 176.65 3kqf h PHE 64 N 6.44 0.00 -1.28 0.00 3.57 -1.09 -3.39 116.94 121.19 3kqf h PHE 64 Ca -0.30 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.34 3kqf h PHE 64 Cb 1.18 0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.70 3kqf h PHE 64 CO 0.44 0.27 0.04 0.00 -2.23 0.00 0.00 178.31 176.83 3kqf n ALA 66 N 5.23 2.53 0.00 0.00 0.00 -0.39 -1.96 120.51 125.91 3kqf n ALA 66 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3kqf n ALA 66 Cb 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.88 -1.02 3.76 0.00 0.00 -1.12 -4.52 105.19 103.18 3kqf n GLY 67 Ca 0.20 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.00 3.18 -0.28 4.61 0.00 -1.26 0.01 121.76 126.02 3kqf s ALA 68 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 3kqf s ALA 68 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3kqf s ALA 68 CO 0.00 -1.21 1.65 0.34 0.00 0.00 0.00 175.76 176.54 3kqf s ASP 69 N -0.57 6.21 0.31 0.00 3.68 -1.04 -4.66 116.67 120.60 3kqf s ASP 69 Ca 0.62 1.43 0.16 0.00 2.13 0.00 0.00 52.55 56.89 3kqf s ASP 69 Cb -0.43 -2.53 0.29 0.00 -1.45 0.00 0.00 42.92 38.80 3kqf s ASP 69 CO 0.55 -1.43 1.55 -0.07 0.13 0.00 0.00 175.17 175.90 3kqf h LEU 70 N 12.40 0.00 -0.09 -1.34 3.38 -1.93 0.11 115.31 127.84 3kqf h LEU 70 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3kqf h LEU 70 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3kqf h LEU 70 CO 1.02 0.48 0.01 0.50 0.09 0.00 0.00 178.44 180.54 3kqf h LYS 71 N 0.00 0.16 -0.57 1.13 1.63 -1.99 -0.25 116.57 116.68 3kqf h LYS 71 Ca -0.00 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 3kqf h LYS 71 Cb 1.22 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 3kqf h LYS 71 CO 0.06 0.38 0.09 1.49 -3.45 0.00 0.00 179.45 178.02 3kqf h GLU 72 N -0.09 0.95 -0.52 1.90 4.81 -1.94 -2.73 114.58 116.95 3kqf h GLU 72 Ca 0.03 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 3kqf h GLU 72 Cb 0.30 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3kqf h GLU 72 CO 0.00 0.91 0.05 -0.09 -0.73 0.00 0.00 179.01 179.15 3kqf h ARG 73 N 0.84 0.85 -0.06 1.92 9.65 -0.91 -2.66 114.38 124.01 3kqf h ARG 73 Ca 0.17 -0.21 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3kqf h ARG 73 Cb 0.42 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3kqf h ARG 73 CO 0.01 0.82 0.04 0.00 2.80 0.00 0.00 179.97 183.64 3kqf h ALA 74 N 1.25 1.98 -1.66 2.80 0.00 -0.72 -3.46 119.26 119.45 3kqf h ALA 74 Ca 0.16 -0.00 -0.79 0.00 0.00 0.00 0.00 54.91 54.28 3kqf h ALA 74 Cb 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.96 3kqf h ALA 74 CO 0.01 -0.07 1.13 0.41 0.00 0.00 0.00 179.25 180.73 3kqf n GLY 75 N -1.52 4.95 3.45 0.00 0.00 -1.01 -5.11 105.19 105.96 3kqf n GLY 75 Ca -0.02 -2.48 -0.23 0.00 0.00 0.00 0.00 46.02 43.29 3kqf n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqf s ASN 77 N -0.71 2.41 0.22 1.61 2.20 -1.26 -5.11 114.94 114.30 3kqf s ASN 77 Ca 0.34 -1.63 -0.08 0.00 -0.94 0.00 0.00 52.86 50.54 3kqf s ASN 77 Cb 0.05 0.44 0.28 0.00 -2.00 0.00 0.00 41.25 40.02 3kqf s ASN 77 CO 0.06 -0.91 1.80 -0.33 -2.94 0.00 0.00 177.10 174.79 3kqf h GLU 78 N 1.93 0.67 -0.38 3.55 5.08 -1.99 -0.23 114.58 123.21 3kqf h GLU 78 Ca -0.35 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3kqf h GLU 78 Cb 1.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3kqf h GLU 78 CO 0.55 0.45 0.25 1.49 -1.00 0.00 0.00 179.01 180.75 3kqf h GLU 79 N 0.69 0.50 -0.38 2.33 4.81 -2.04 -1.16 114.58 119.33 3kqf h GLU 79 Ca 0.33 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 3kqf h GLU 79 Cb 0.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3kqf h GLU 79 CO -0.21 0.33 -0.15 1.96 -0.73 0.00 0.00 179.01 180.20 3kqf h GLN 80 N 0.51 0.70 -0.32 1.92 4.20 -1.91 -1.49 115.11 118.72 3kqf h GLN 80 Ca 0.14 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3kqf h GLN 80 Cb -0.06 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3kqf h GLN 80 CO -0.03 0.82 0.21 0.28 -0.67 0.00 0.00 178.83 179.44 3kqf h VAL 81 N 0.63 1.08 -0.47 -0.54 2.07 -0.59 0.73 116.25 119.17 3kqf h VAL 81 Ca 0.10 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3kqf h VAL 81 Cb 0.62 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3kqf h VAL 81 CO 0.04 0.08 0.28 0.03 0.02 0.00 0.00 177.57 178.02 3kqf h ARG 82 N 0.44 0.54 -0.51 1.57 3.08 -0.94 0.03 114.38 118.58 3kqf h ARG 82 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3kqf h ARG 82 Cb -0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3kqf h ARG 82 CO -0.03 0.36 0.26 1.25 -1.07 0.00 0.00 179.97 180.74 3kqf h HIS 83 N 0.55 0.71 -0.63 3.04 2.76 -0.89 -1.20 115.15 119.50 3kqf h HIS 83 Ca 0.19 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 3kqf h HIS 83 Cb 0.02 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 3kqf h HIS 83 CO -0.07 0.54 0.19 0.00 -1.30 0.00 0.00 177.93 177.29 3kqf h ALA 84 N 1.10 0.82 -0.24 5.26 0.00 -0.54 -2.60 119.26 123.06 3kqf h ALA 84 Ca 0.18 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3kqf h ALA 84 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kqf h ALA 84 CO -0.03 0.50 -0.25 0.28 0.00 0.00 0.00 179.25 179.76 3kqf h VAL 85 N 0.91 1.26 0.00 0.00 2.07 -0.86 -2.05 116.25 117.57 3kqf h VAL 85 Ca 0.20 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3kqf h VAL 85 Cb 0.31 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3kqf h VAL 85 CO -0.00 0.39 0.00 -0.24 0.02 0.00 0.00 177.57 177.74 3kqf n SER 86 N -4.13 0.32 0.00 0.57 2.88 -0.46 -1.41 113.62 111.39 3kqf n SER 86 Ca -0.00 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 3kqf n SER 86 Cb 0.40 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.70 0.00 -0.14 2.46 5.41 -0.77 -1.32 119.36 125.70 3kqf n ILE 88 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 3kqf n ILE 88 Cb 0.06 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.03 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 0.37 -0.61 0.38 3.08 -1.51 -2.44 114.38 113.65 3kqf h ARG 89 Ca 0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3kqf h ARG 89 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3kqf h ARG 89 CO 0.00 0.25 0.19 1.15 -1.07 0.00 0.00 179.97 180.49 3kqf h THR 90 N 0.39 1.23 0.00 2.04 2.02 -1.46 -2.18 112.91 114.95 3kqf h THR 90 Ca 0.21 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3kqf h THR 90 Cb 0.16 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3kqf h THR 90 CO -0.18 0.30 0.00 0.41 0.37 0.00 0.00 175.52 176.42 3kqf n THR 91 N -4.28 0.20 -0.78 3.16 -1.04 -0.92 -4.71 114.28 105.91 3kqf n THR 91 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kqf n THR 91 Cb 0.21 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.12 0.00 -2.82 1.02 -0.82 -4.64 120.64 113.06 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 0.11 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.54 0.00 -0.31 2.62 0.31 -1.26 -0.67 118.33 118.47 3kqf n VAL 95 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3kqf n VAL 95 Cb 0.09 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.14 3kqf n VAL 95 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3kqf h GLU 96 N 0.00 1.21 -0.11 5.55 4.81 -1.82 -2.88 114.58 121.34 3kqf h GLU 96 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3kqf h GLU 96 Cb 0.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.14 3kqf h GLU 96 CO 0.00 0.88 0.00 1.04 -0.73 0.00 0.00 179.01 180.20 3kqf n GLN 97 N -4.34 1.66 -1.74 1.92 6.02 0.15 -4.92 117.38 116.13 3kqf n GLN 97 Ca 0.09 -0.98 -0.40 0.00 -0.01 0.00 0.00 57.00 55.70 3kqf n GLN 97 Cb 0.09 -1.42 0.02 0.00 1.02 0.00 0.00 30.24 29.95 3kqf n GLN 97 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kqf n LEU 98 N 0.20 4.88 -0.07 1.08 4.77 -1.09 -4.88 117.00 121.89 3kqf n LEU 98 Ca 0.17 1.09 0.01 0.00 -0.03 0.00 0.00 56.01 57.26 3kqf n LEU 98 Cb 0.32 -1.57 0.32 0.00 -2.33 0.00 0.00 43.42 40.16 3kqf n LEU 98 CO 0.14 -0.37 1.11 -0.65 -1.33 0.00 0.00 177.39 176.29 3kqf h PRO 99 N 2.09 0.68 -6.91 3.23 0.11 -1.91 -3.44 132.00 125.85 3kqf h PRO 99 Ca -0.50 -0.07 -0.46 0.00 0.11 0.00 0.00 66.00 65.07 3kqf h PRO 99 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3kqf h PRO 99 CO 0.60 0.52 0.26 -0.65 -0.21 0.00 0.00 178.00 178.52 3kqf s GLN 100 N -5.44 4.23 0.37 1.05 1.11 -1.26 -4.61 119.66 115.11 3kqf s GLN 100 Ca -0.09 1.02 -0.28 0.00 0.01 0.00 0.00 55.36 56.02 3kqf s GLN 100 Cb 0.17 -2.39 -0.11 0.00 -1.01 0.00 0.00 33.01 29.66 3kqf s GLN 100 CO 0.76 0.10 1.41 -2.30 0.01 0.00 0.00 175.29 175.27 3kqf n PRO 101 N -0.29 2.45 -4.62 2.91 -0.02 -1.26 -4.84 135.00 129.34 3kqf n PRO 101 Ca 0.05 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 62.06 3kqf n PRO 101 Cb 0.53 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 3kqf n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kqf s VAL 102 N -1.11 2.58 -0.24 -1.45 1.01 -1.26 -1.23 120.40 118.69 3kqf s VAL 102 Ca 0.54 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3kqf s VAL 102 Cb -0.51 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3kqf s VAL 102 CO 0.63 0.52 0.05 -0.63 0.00 0.00 0.00 175.10 175.67 3kqf s ILE 103 N 0.74 4.14 -0.25 2.22 1.01 0.52 -1.01 121.20 128.55 3kqf s ILE 103 Ca -0.07 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.08 3kqf s ILE 103 Cb -0.16 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3kqf s ILE 103 CO 0.01 0.36 0.95 0.00 0.00 0.00 0.00 174.94 176.26 3kqf s ALA 104 N 1.54 3.64 -0.53 9.38 0.00 -0.58 -0.88 121.76 134.33 3kqf s ALA 104 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 3kqf s ALA 104 Cb -0.15 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.65 3kqf s ALA 104 CO 0.02 -1.08 0.45 0.00 0.00 0.00 0.00 175.76 175.15 3kqf s ALA 105 N 3.11 3.57 -0.65 0.00 0.00 0.25 -0.93 121.76 127.10 3kqf s ALA 105 Ca 0.40 -2.59 -0.23 0.00 0.00 0.00 0.00 51.96 49.54 3kqf s ALA 105 Cb -0.15 -3.09 0.07 0.00 0.00 0.00 0.00 23.12 19.95 3kqf s ALA 105 CO 0.08 -1.99 0.96 0.42 0.00 0.00 0.00 175.76 175.23 3kqf s ILE 106 N 1.41 4.33 -1.80 0.00 1.01 0.42 -4.32 121.20 122.25 3kqf s ILE 106 Ca 0.05 -0.36 0.27 0.00 0.00 0.00 0.00 60.65 60.61 3kqf s ILE 106 Cb -0.27 -4.68 0.30 0.00 0.01 0.00 0.00 42.46 37.82 3kqf s ILE 106 CO 0.01 -1.44 1.60 -0.46 0.00 0.00 0.00 174.94 174.65 3kqf n ASN 107 N 7.68 1.01 0.00 3.58 6.94 -1.26 -0.83 115.26 132.37 3kqf n ASN 107 Ca -0.04 -0.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 3kqf n ASN 107 Cb 0.45 0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 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 1.32 1.84 3.76 4.83 0.00 -1.26 -4.46 105.19 111.23 3kqf n GLY 108 Ca 0.13 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.60 2.09 -0.39 -0.61 -4.36 -0.31 -3.53 121.20 113.49 3kqf s ILE 109 Ca 0.00 0.08 0.01 0.00 -0.26 0.00 0.00 60.65 60.48 3kqf s ILE 109 Cb 0.00 -3.05 0.14 0.00 1.25 0.00 0.00 42.46 40.80 3kqf s ILE 109 CO 0.00 0.02 0.23 0.00 0.24 0.00 0.00 174.94 175.43 3kqf s ALA 110 N -0.53 1.45 -0.02 2.27 0.00 0.03 -0.74 121.76 124.22 3kqf s ALA 110 Ca 0.58 -2.20 0.06 0.00 0.00 0.00 0.00 51.96 50.41 3kqf s ALA 110 Cb -0.47 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3kqf s ALA 110 CO 0.55 -2.08 -0.20 -0.51 0.00 0.00 0.00 175.76 173.52 3kqf s LEU 111 N 0.70 2.44 0.00 0.00 1.43 -0.83 -2.82 118.68 119.60 3kqf s LEU 111 Ca 0.19 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3kqf s LEU 111 Cb -0.21 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3kqf s LEU 111 CO -0.01 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3kqf n GLY 112 N 2.17 4.05 0.50 -3.19 0.00 0.21 -1.00 105.19 107.93 3kqf n GLY 112 Ca -0.17 0.16 0.32 0.00 0.00 0.00 0.00 46.02 46.34 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 0.41 1.00 -0.02 0.00 -1.89 -0.05 103.07 102.52 3kqf h GLY 113 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3kqf h GLY 113 CO 0.00 -0.06 0.02 -1.33 0.00 0.00 0.00 176.54 175.17 3kqf h GLY 114 N 0.11 0.92 1.12 4.60 0.00 -1.19 0.26 103.07 108.89 3kqf h GLY 114 Ca 0.60 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3kqf h GLY 114 CO -0.11 0.61 -0.26 -0.84 0.00 0.00 0.00 176.54 175.94 3kqf h THR 115 N 0.72 1.27 -0.87 4.70 2.02 -1.16 -2.53 112.91 117.07 3kqf h THR 115 Ca 0.14 -1.43 0.01 0.00 0.77 0.00 0.00 66.41 65.90 3kqf h THR 115 Cb 0.48 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3kqf h THR 115 CO 0.02 0.49 0.57 -0.33 0.37 0.00 0.00 175.52 176.64 3kqf h GLU 116 N 0.84 1.15 -0.67 6.66 5.08 -0.83 -0.75 114.58 126.06 3kqf h GLU 116 Ca 0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3kqf h GLU 116 Cb 0.85 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3kqf h GLU 116 CO 0.08 0.77 0.34 1.25 -1.00 0.00 0.00 179.01 180.45 3kqf h LEU 117 N 1.18 0.86 -1.05 1.33 5.85 -0.43 -2.15 115.31 120.90 3kqf h LEU 117 Ca 0.32 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3kqf h LEU 117 Cb -0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.67 3kqf h LEU 117 CO -0.07 0.73 -0.19 0.77 -0.34 0.00 0.00 178.44 179.35 3kqf h SER 118 N 0.92 0.45 0.41 1.25 4.64 -0.93 -2.47 113.55 117.83 3kqf h SER 118 Ca 0.23 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 3kqf h SER 118 Cb 0.08 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3kqf h SER 118 CO -0.03 0.65 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.22 3kqf h LEU 119 N 0.42 0.00 -0.16 5.97 3.38 -0.73 -2.29 115.31 121.90 3kqf h LEU 119 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kqf h LEU 119 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kqf h LEU 119 CO 0.04 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.86 3kqf n ALA 120 N -2.41 1.97 -2.10 1.53 0.00 -0.85 -4.76 120.51 113.89 3kqf n ALA 120 Ca -0.02 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 3kqf n ALA 120 Cb 0.36 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3kqf n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqf h ASP 122 N -0.02 0.68 -5.10 0.00 3.32 -1.36 -3.47 116.42 110.48 3kqf h ASP 122 Ca -0.46 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.43 3kqf h ASP 122 Cb 1.20 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.51 3kqf h ASP 122 CO 0.62 0.67 0.09 0.72 -1.72 0.00 0.00 179.24 179.62 3kqf s PHE 123 N -5.52 0.04 -0.01 4.55 -0.12 -1.20 -5.04 117.98 110.67 3kqf s PHE 123 Ca -0.13 -0.46 0.03 0.00 -0.05 0.00 0.00 56.93 56.32 3kqf s PHE 123 Cb 0.11 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 3kqf s PHE 123 CO 0.77 -1.15 -0.10 1.03 -0.05 0.00 0.00 175.22 175.72 3kqf s ARG 124 N -3.92 0.86 -0.10 1.99 0.52 -1.26 -1.53 118.95 115.51 3kqf s ARG 124 Ca 0.16 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.03 3kqf s ARG 124 Cb -0.04 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.62 3kqf s ARG 124 CO 0.08 0.19 -0.13 -1.50 0.02 0.00 0.00 175.30 173.96 3kqf s ILE 125 N -0.13 1.32 0.11 1.52 2.07 -0.11 -1.60 121.20 124.38 3kqf s ILE 125 Ca 0.02 -0.54 0.10 0.00 -1.41 0.00 0.00 60.65 58.82 3kqf s ILE 125 Cb -0.05 -1.23 -0.04 0.00 0.13 0.00 0.00 42.46 41.28 3kqf s ILE 125 CO -0.00 0.41 -0.23 0.00 -1.91 0.00 0.00 174.94 173.21 3kqf s ALA 126 N 1.04 2.51 0.48 1.50 0.00 -0.10 -0.44 121.76 126.75 3kqf s ALA 126 Ca -0.06 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 3kqf s ALA 126 Cb -0.15 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 3kqf s ALA 126 CO -0.02 0.56 1.09 0.00 0.00 0.00 0.00 175.76 177.40 3kqf s ALA 127 N -1.06 2.89 0.47 0.00 0.00 -0.01 -1.45 121.76 122.60 3kqf s ALA 127 Ca 0.15 0.75 0.14 0.00 0.00 0.00 0.00 51.96 53.00 3kqf s ALA 127 Cb -0.10 -3.31 1.12 0.00 0.00 0.00 0.00 23.12 20.82 3kqf s ALA 127 CO 0.07 -0.47 2.06 1.49 0.00 0.00 0.00 175.76 178.91 3kqf h GLU 128 N 1.76 0.25 0.00 0.00 4.57 -1.34 -1.68 114.58 118.14 3kqf h GLU 128 Ca -0.49 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3kqf h GLU 128 Cb 1.23 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3kqf h GLU 128 CO 0.59 0.16 0.00 -1.13 -1.18 0.00 0.00 179.01 177.46 3kqf n SER 129 N -4.48 0.00 -4.75 1.04 3.41 -1.26 -4.30 113.62 103.28 3kqf n SER 129 Ca 0.04 0.22 -0.33 0.00 -0.26 0.00 0.00 58.87 58.53 3kqf n SER 129 Cb 0.22 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.80 2.32 0.01 7.33 0.00 -0.63 -4.84 121.76 123.15 3kqf s ALA 130 Ca 0.20 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.81 3kqf s ALA 130 Cb 0.19 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 3kqf s ALA 130 CO 0.48 -1.53 -0.06 -1.54 0.00 0.00 0.00 175.76 173.11 3kqf s SER 131 N -2.45 0.68 0.26 0.00 1.04 -1.23 -2.35 113.70 109.65 3kqf s SER 131 Ca 0.69 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.87 3kqf s SER 131 Cb -0.23 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 3kqf s SER 131 CO 0.44 -0.05 0.03 -0.76 0.98 0.00 0.00 173.24 173.88 3kqf s LEU 132 N -0.72 2.09 0.00 2.42 1.02 0.33 -0.79 118.68 123.03 3kqf s LEU 132 Ca -0.03 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 52.83 3kqf s LEU 132 Cb -0.05 -0.25 0.00 0.00 0.02 0.00 0.00 46.19 45.91 3kqf s LEU 132 CO 0.00 -0.57 0.00 0.61 0.02 0.00 0.00 176.35 176.41 3kqf n GLY 133 N -0.50 3.47 3.14 -3.19 0.00 -1.13 0.13 105.19 107.11 3kqf n GLY 133 Ca -0.03 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 3kqf n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqf s LEU 134 N 0.00 5.50 0.00 0.99 1.43 -1.26 -0.62 118.68 124.72 3kqf s LEU 134 Ca 0.00 -2.75 0.28 0.00 -1.03 0.00 0.00 54.13 50.64 3kqf s LEU 134 Cb 0.00 -1.92 1.43 0.00 0.03 0.00 0.00 46.19 45.74 3kqf s LEU 134 CO 0.00 -0.42 1.95 0.35 0.23 0.00 0.00 176.35 178.46 3kqf n THR 135 N 3.68 0.02 -0.27 5.49 -2.24 -1.26 -4.24 114.28 115.46 3kqf n THR 135 Ca 0.07 -0.12 0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3kqf n THR 135 Cb 0.40 -0.04 0.10 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.04 0.00 -0.03 -0.78 3.07 -1.88 -1.28 114.58 114.73 3kqf h GLU 136 Ca 0.00 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3kqf h GLU 136 Cb 0.22 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3kqf h GLU 136 CO 0.00 0.00 0.04 1.79 -1.40 0.00 0.00 179.01 179.45 3kqf h THR 137 N 0.00 0.48 0.00 1.13 1.35 -1.71 0.16 112.91 114.33 3kqf h THR 137 Ca 0.38 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.23 3kqf h THR 137 Cb 0.59 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3kqf h THR 137 CO -0.80 0.00 -0.07 0.71 -0.25 0.00 0.00 175.52 175.11 3kqf h THR 138 N 0.00 0.24 -0.53 6.82 1.35 -1.52 -1.60 112.91 117.66 3kqf h THR 138 Ca 0.02 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3kqf h THR 138 Cb 0.10 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3kqf h THR 138 CO -0.00 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 3kqf n LEU 139 N -3.28 3.57 -1.50 3.87 4.77 0.53 -4.96 117.00 120.01 3kqf n LEU 139 Ca -0.01 -1.79 -0.14 0.00 -0.03 0.00 0.00 56.01 54.04 3kqf n LEU 139 Cb 0.27 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3kqf n LEU 139 CO 0.28 0.85 -0.17 0.00 -1.33 0.00 0.00 177.39 177.01 3kqf n ALA 140 N 1.40 -0.38 -4.49 -1.18 0.00 -0.60 -5.02 120.51 110.24 3kqf n ALA 140 Ca 0.20 0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.52 3kqf n ALA 140 Cb 0.58 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.78 0.00 -4.42 0.00 -5.35 -0.98 -4.99 119.36 99.84 3kqf n ILE 141 Ca -0.16 -2.03 -0.21 0.00 -0.27 0.00 0.00 62.75 60.08 3kqf n ILE 141 Cb 0.60 0.56 -0.10 0.00 -1.74 0.00 0.00 39.64 38.96 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 -2.70 1.85 0.12 7.28 -4.36 -1.26 -2.45 121.20 119.68 3kqf s ILE 142 Ca 0.09 -2.20 -0.31 0.00 -0.26 0.00 0.00 60.65 57.96 3kqf s ILE 142 Cb 0.00 -2.32 -0.11 0.00 1.25 0.00 0.00 42.46 41.28 3kqf s ILE 142 CO 0.06 -0.39 1.84 -2.65 0.24 0.00 0.00 174.94 174.04 3kqf n PRO 143 N -0.55 2.79 -0.09 0.37 -0.02 -1.26 -4.85 135.00 131.40 3kqf n PRO 143 Ca -0.06 1.02 0.03 0.00 -2.02 0.00 0.00 63.50 62.46 3kqf n PRO 143 Cb 0.62 -2.91 0.08 0.00 -0.02 0.00 0.00 33.50 31.27 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 4.24 2.93 2.33 -1.23 0.00 -1.26 -4.45 105.19 107.74 3kqf n GLY 144 Ca 0.18 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.02 4.29 -0.09 4.61 0.00 -1.26 -4.71 120.51 123.32 3kqf n ALA 145 Ca 0.06 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.96 3kqf n ALA 145 Cb 0.35 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.61 0.84 0.33 0.00 0.00 -1.26 -4.84 105.19 99.65 3kqf n GLY 146 Ca 0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 1.69 2.00 -0.02 0.00 -1.91 0.35 103.07 105.18 3kqf h GLY 147 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kqf h GLY 147 CO 0.00 -0.15 0.00 -0.91 0.00 0.00 0.00 176.54 175.48 3kqf h THR 148 N 0.62 0.00 0.00 4.70 1.35 -1.93 -2.86 112.91 114.79 3kqf h THR 148 Ca 0.57 -0.32 -0.26 0.00 -0.55 0.00 0.00 66.41 65.85 3kqf h THR 148 Cb 0.97 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 3kqf h THR 148 CO -0.43 0.00 -1.91 0.00 -0.25 0.00 0.00 175.52 172.93 3kqf n GLN 149 N -2.35 0.36 0.09 4.72 1.13 -0.26 -4.49 117.38 116.58 3kqf n GLN 149 Ca 0.03 0.13 -0.07 0.00 -1.94 0.00 0.00 57.00 55.15 3kqf n GLN 149 Cb 0.28 -1.17 -0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 -0.38 0.12 0.38 -1.09 3.08 -0.52 -3.08 114.38 112.89 3kqf h ARG 150 Ca -0.40 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 3kqf h ARG 150 Cb 1.43 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.52 3kqf h ARG 150 CO -0.18 0.91 -0.18 1.25 -1.07 0.00 0.00 179.97 180.69 3kqf h LEU 151 N 0.07 -0.43 -1.60 3.04 5.85 -1.67 -2.40 115.31 118.16 3kqf h LEU 151 Ca -0.03 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3kqf h LEU 151 Cb 1.50 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 3kqf h LEU 151 CO 0.12 -0.12 0.00 1.55 -0.34 0.00 0.00 178.44 179.66 3kqf h PRO 152 N -0.75 0.25 -0.64 5.25 0.13 -1.79 -0.83 132.00 133.62 3kqf h PRO 152 Ca -0.05 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 3kqf h PRO 152 Cb 0.51 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 3kqf h PRO 152 CO 0.09 0.27 0.33 0.00 -0.23 0.00 0.00 178.00 178.46 3kqf h ARG 153 N 0.25 0.90 0.15 0.86 3.08 -1.44 0.26 114.38 118.43 3kqf h ARG 153 Ca 0.06 -0.11 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 3kqf h ARG 153 Cb 0.17 -0.18 0.02 0.00 0.08 0.00 0.00 29.97 30.06 3kqf h ARG 153 CO 0.00 0.68 -1.08 1.25 -1.07 0.00 0.00 179.97 179.76 3kqf h LEU 154 N 0.90 0.49 -1.72 3.04 5.85 -0.90 -3.41 115.31 119.56 3kqf h LEU 154 Ca 0.23 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 58.02 3kqf h LEU 154 Cb 0.06 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3kqf h LEU 154 CO -0.03 1.50 0.00 2.30 -0.34 0.00 0.00 178.44 181.87 3kqf n ILE 155 N -4.01 0.29 0.00 4.05 -5.35 -0.37 -4.92 119.36 109.05 3kqf n ILE 155 Ca -0.18 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 3kqf n ILE 155 Cb 0.88 0.94 0.00 0.00 -1.74 0.00 0.00 39.64 39.72 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 0.24 1.29 0.26 3.28 0.00 0.08 -4.57 105.19 105.77 3kqf n GLY 156 Ca 0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 1.25 0.44 1.61 3.04 -1.92 -2.52 116.25 118.14 3kqf h VAL 157 Ca 0.00 -1.11 -0.02 0.00 -1.01 0.00 0.00 66.70 64.55 3kqf h VAL 157 Cb 0.00 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3kqf h VAL 157 CO 0.00 0.37 -0.21 1.23 -1.01 0.00 0.00 177.57 177.95 3kqf h GLY 158 N 0.96 -0.62 0.99 3.17 0.00 -1.95 -1.01 103.07 104.62 3kqf h GLY 158 Ca 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 3kqf h GLY 158 CO 0.04 -0.22 0.21 -0.09 0.00 0.00 0.00 176.54 176.47 3kqf h ARG 159 N -0.73 0.86 -0.65 4.80 9.65 -1.80 -2.02 114.38 124.50 3kqf h ARG 159 Ca -0.06 -0.17 0.03 0.00 -1.10 0.00 0.00 59.98 58.69 3kqf h ARG 159 Cb 0.52 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 3kqf h ARG 159 CO 0.10 0.76 0.39 0.00 2.80 0.00 0.00 179.97 184.02 3kqf h ALA 160 N 1.06 0.84 -0.06 2.80 0.00 -1.44 -1.54 119.26 120.93 3kqf h ALA 160 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kqf h ALA 160 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kqf h ALA 160 CO -0.01 0.13 0.03 0.87 0.00 0.00 0.00 179.25 180.26 3kqf h LYS 161 N 0.76 0.08 -0.92 0.00 1.57 -0.95 -0.55 116.57 116.56 3kqf h LYS 161 Ca 0.27 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kqf h LYS 161 Cb 0.05 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3kqf h LYS 161 CO -0.12 0.18 0.56 1.05 -0.57 0.00 0.00 179.45 180.55 3kqf h GLU 162 N -0.04 1.25 -0.37 3.15 -0.00 -1.16 0.31 114.58 117.72 3kqf h GLU 162 Ca 0.02 -0.11 -0.06 0.00 -0.00 0.00 0.00 59.36 59.21 3kqf h GLU 162 Cb 0.12 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 28.60 3kqf h GLU 162 CO -0.00 0.87 -0.00 -0.07 -0.00 0.00 0.00 179.01 179.80 3kqf h LEU 163 N 1.27 0.65 -0.13 3.06 3.38 -1.14 -1.48 115.31 120.92 3kqf h LEU 163 Ca 0.33 -0.31 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 3kqf h LEU 163 Cb -0.06 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.53 3kqf h LEU 163 CO -0.06 0.80 -0.65 0.40 0.09 0.00 0.00 178.44 179.02 3kqf h ILE 164 N 0.47 1.32 -0.28 1.22 2.04 -0.85 -0.04 117.51 121.40 3kqf h ILE 164 Ca 0.10 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.02 3kqf h ILE 164 Cb 0.47 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3kqf h ILE 164 CO 0.02 0.59 0.02 1.88 0.00 0.00 0.00 178.15 180.66 3kqf h TYR 165 N 0.34 0.52 -0.01 1.37 0.05 -0.40 -3.13 116.97 115.71 3kqf h TYR 165 Ca -0.04 -0.08 -0.17 0.00 0.05 0.00 0.00 58.73 58.49 3kqf h TYR 165 Cb 1.29 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 3kqf h TYR 165 CO 0.10 0.61 -0.76 1.79 -1.05 0.00 0.00 178.16 178.85 3kqf h THR 166 N 0.28 1.49 -0.85 -2.88 1.35 -1.36 -3.47 112.91 107.47 3kqf h THR 166 Ca 0.08 -2.46 -0.27 0.00 -0.55 0.00 0.00 66.41 63.22 3kqf h THR 166 Cb 0.39 2.33 -0.09 0.00 -1.73 0.00 0.00 68.15 69.05 3kqf h THR 166 CO 0.01 0.71 -0.26 0.61 -0.25 0.00 0.00 175.52 176.34 3kqf n GLY 167 N 0.62 1.09 3.82 5.82 0.00 -0.03 -4.80 105.19 111.71 3kqf n GLY 167 Ca -0.02 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.39 3.65 0.01 1.61 1.70 -1.23 -4.20 118.95 117.10 3kqf s ARG 168 Ca 0.00 1.07 -0.15 0.00 -0.47 0.00 0.00 55.73 56.18 3kqf s ARG 168 Cb 0.00 -2.09 -0.06 0.00 -0.57 0.00 0.00 34.95 32.24 3kqf s ARG 168 CO 0.00 -0.53 0.42 1.03 -1.08 0.00 0.00 175.30 175.15 3kqf s ARG 169 N -4.08 3.93 0.16 3.89 0.52 -1.26 -4.37 118.95 117.73 3kqf s ARG 169 Ca 0.61 0.43 0.08 0.00 -0.52 0.00 0.00 55.73 56.33 3kqf s ARG 169 Cb -0.13 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 3kqf s ARG 169 CO 0.34 0.68 -0.17 0.96 0.02 0.00 0.00 175.30 177.13 3kqf s ILE 170 N -1.11 1.69 0.72 1.52 -4.36 0.12 -4.95 121.20 114.83 3kqf s ILE 170 Ca 0.25 -1.89 -0.12 0.00 -0.26 0.00 0.00 60.65 58.63 3kqf s ILE 170 Cb -0.17 -1.78 0.02 0.00 1.25 0.00 0.00 42.46 41.79 3kqf s ILE 170 CO 0.14 -0.37 1.11 -0.94 0.24 0.00 0.00 174.94 175.13 3kqf s SER 171 N -2.67 5.29 0.28 4.36 1.04 -1.26 -0.52 113.70 120.22 3kqf s SER 171 Ca 0.15 1.08 -0.03 0.00 0.48 0.00 0.00 55.95 57.63 3kqf s SER 171 Cb -0.05 -1.84 0.37 0.00 0.10 0.00 0.00 66.02 64.60 3kqf s SER 171 CO 0.06 -1.43 1.93 0.00 0.98 0.00 0.00 173.24 174.77 3kqf h ALA 172 N -0.72 1.32 -0.63 5.32 0.00 -1.65 0.05 119.26 122.95 3kqf h ALA 172 Ca -0.45 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3kqf h ALA 172 Cb 1.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3kqf h ALA 172 CO 0.64 0.59 0.20 1.96 0.00 0.00 0.00 179.25 182.63 3kqf h GLN 173 N 1.15 0.98 -0.51 0.00 1.08 -1.89 -0.36 115.11 115.55 3kqf h GLN 173 Ca 0.30 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3kqf h GLN 173 Cb -0.06 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 3kqf h GLN 173 CO -0.06 0.86 0.23 0.93 -0.95 0.00 0.00 178.83 179.85 3kqf h GLU 174 N 0.90 0.75 -0.89 1.46 5.08 -1.84 -0.91 114.58 119.14 3kqf h GLU 174 Ca 0.20 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3kqf h GLU 174 Cb 0.29 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3kqf h GLU 174 CO -0.01 0.64 0.59 0.00 -1.00 0.00 0.00 179.01 179.23 3kqf h ALA 175 N 1.07 1.44 -0.27 3.43 0.00 -0.65 -0.86 119.26 123.42 3kqf h ALA 175 Ca 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3kqf h ALA 175 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kqf h ALA 175 CO -0.02 0.47 -0.06 -0.22 0.00 0.00 0.00 179.25 179.43 3kqf h LYS 176 N 1.12 0.52 -0.92 0.00 3.64 -0.57 0.18 116.57 120.53 3kqf h LYS 176 Ca 0.36 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3kqf h LYS 176 Cb 0.02 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 3kqf h LYS 176 CO -0.11 0.73 0.58 1.49 -2.27 0.00 0.00 179.45 179.87 3kqf h GLU 177 N 0.28 1.02 0.00 1.90 4.81 -0.43 -2.29 114.58 119.87 3kqf h GLU 177 Ca 0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kqf h GLU 177 Cb 0.53 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3kqf h GLU 177 CO 0.03 0.67 -0.04 0.66 -0.73 0.00 0.00 179.01 179.60 3kqf n TYR 178 N -4.58 0.89 -0.51 0.92 4.01 -0.40 -4.93 117.16 112.56 3kqf n TYR 178 Ca 0.14 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 3kqf n TYR 178 Cb 0.19 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 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 1.32 0.73 0.14 2.72 0.00 -0.71 -4.77 105.19 104.62 3kqf n GLY 179 Ca 0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 0.44 -8.55 0.99 5.85 -1.25 -3.44 115.31 109.35 3kqf h LEU 180 Ca 0.00 -0.36 -0.70 0.00 0.84 0.00 0.00 57.88 57.66 3kqf h LEU 180 Cb 0.00 -0.13 -0.31 0.00 0.37 0.00 0.00 40.66 40.59 3kqf h LEU 180 CO 0.00 1.18 -0.89 0.68 -0.34 0.00 0.00 178.44 179.07 3kqf s VAL 181 N -3.17 2.05 0.09 1.05 -7.23 -1.11 -4.79 120.40 107.29 3kqf s VAL 181 Ca -0.05 -1.09 0.06 0.00 -1.81 0.00 0.00 61.98 59.10 3kqf s VAL 181 Cb 0.09 -1.72 -0.22 0.00 0.56 0.00 0.00 36.38 35.09 3kqf s VAL 181 CO 0.86 0.58 1.16 -0.33 -0.31 0.00 0.00 175.10 177.05 3kqf h GLU 182 N 5.75 0.04 -4.06 4.82 3.07 -1.58 -3.38 114.58 119.24 3kqf h GLU 182 Ca -0.38 -0.07 -0.27 0.00 -0.50 0.00 0.00 59.36 58.14 3kqf h GLU 182 Cb 1.15 0.02 -0.28 0.00 -0.84 0.00 0.00 28.75 28.80 3kqf h GLU 182 CO 0.47 0.96 -0.74 -0.06 -1.40 0.00 0.00 179.01 178.24 3kqf s PHE 183 N -2.68 0.27 -0.05 4.33 0.08 -1.05 -5.05 117.98 113.83 3kqf s PHE 183 Ca -0.01 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 56.98 3kqf s PHE 183 Cb 0.09 -0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.38 3kqf s PHE 183 CO 0.83 -0.02 -0.12 0.08 -0.10 0.00 0.00 175.22 175.89 3kqf s VAL 184 N -0.19 1.06 0.06 -0.44 1.01 -1.26 -0.92 120.40 119.71 3kqf s VAL 184 Ca -0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 3kqf s VAL 184 Cb -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3kqf s VAL 184 CO -0.00 0.33 0.04 0.68 0.00 0.00 0.00 175.10 176.14 3kqf s VAL 185 N 0.39 0.18 0.53 2.92 -7.23 -0.53 -4.96 120.40 111.71 3kqf s VAL 185 Ca -0.08 -1.52 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 3kqf s VAL 185 Cb -0.12 -1.33 -0.09 0.00 0.56 0.00 0.00 36.38 35.40 3kqf s VAL 185 CO 0.02 -0.84 0.63 -2.65 -0.31 0.00 0.00 175.10 171.95 3kqf n PRO 186 N 0.24 0.65 -0.27 4.82 -0.02 -1.26 -1.02 135.00 138.14 3kqf n PRO 186 Ca -0.15 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.64 3kqf n PRO 186 Cb 0.61 -1.76 0.21 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.49 0.64 -0.01 -1.45 3.04 -1.93 -1.49 116.25 115.54 3kqf h VAL 187 Ca -0.45 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 3kqf h VAL 187 Cb 1.39 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 3kqf h VAL 187 CO 0.49 0.09 0.00 1.41 -1.01 0.00 0.00 177.57 178.55 3kqf n HIS 188 N -4.99 0.01 0.57 3.17 8.25 -1.26 -3.31 115.22 117.66 3kqf n HIS 188 Ca 0.16 -0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.68 3kqf n HIS 188 Cb 0.45 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.60 3kqf n HIS 188 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kqf n LEU 189 N -0.74 1.90 0.07 2.41 4.77 -0.57 -4.72 117.00 120.12 3kqf n LEU 189 Ca 0.22 -0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 55.16 3kqf n LEU 189 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3kqf n LEU 189 CO 0.17 0.35 0.77 0.25 -1.33 0.00 0.00 177.39 177.60 3kqf h LEU 190 N 2.27 -0.41 -0.00 2.23 5.85 -1.54 -1.10 115.31 122.62 3kqf h LEU 190 Ca 0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kqf h LEU 190 Cb 0.53 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3kqf h LEU 190 CO 0.00 -0.20 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.46 3kqf h GLU 191 N -0.26 -0.18 -0.31 1.25 3.07 -1.85 -1.72 114.58 114.58 3kqf h GLU 191 Ca 0.04 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3kqf h GLU 191 Cb 0.30 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 3kqf h GLU 191 CO -0.11 -0.12 -0.06 0.93 -1.40 0.00 0.00 179.01 178.25 3kqf h GLU 192 N -0.19 0.02 -0.30 2.33 3.07 -1.82 -1.99 114.58 115.70 3kqf h GLU 192 Ca 0.04 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.78 3kqf h GLU 192 Cb 0.24 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3kqf h GLU 192 CO -0.12 0.02 -0.31 -0.22 -1.40 0.00 0.00 179.01 176.98 3kqf h LYS 193 N 0.02 0.63 -0.49 2.33 1.63 -1.03 -1.61 116.57 118.06 3kqf h LYS 193 Ca 0.15 -0.28 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 3kqf h LYS 193 Cb 0.22 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 3kqf h LYS 193 CO -0.30 0.86 0.06 0.00 -3.45 0.00 0.00 179.45 176.62 3kqf h ALA 194 N 1.12 0.65 -0.31 5.00 0.00 -1.09 -2.03 119.26 122.61 3kqf h ALA 194 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3kqf h ALA 194 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3kqf h ALA 194 CO 0.07 0.40 -0.17 0.82 0.00 0.00 0.00 179.25 180.37 3kqf h ILE 195 N 0.70 1.25 -0.02 0.00 2.04 -1.21 -1.28 117.51 118.98 3kqf h ILE 195 Ca 0.15 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3kqf h ILE 195 Cb 0.42 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3kqf h ILE 195 CO 0.01 0.37 0.00 -0.08 0.00 0.00 0.00 178.15 178.46 3kqf h GLU 196 N 0.50 0.04 -0.48 2.37 4.81 -1.12 -0.48 114.58 120.22 3kqf h GLU 196 Ca 0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kqf h GLU 196 Cb 0.58 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3kqf h GLU 196 CO 0.04 0.30 0.28 0.82 -0.73 0.00 0.00 179.01 179.72 3kqf h ILE 197 N -0.23 1.15 -0.47 2.32 2.04 -1.30 -1.63 117.51 119.40 3kqf h ILE 197 Ca 0.01 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.55 3kqf h ILE 197 Cb 0.28 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3kqf h ILE 197 CO 0.00 0.16 0.23 0.00 0.00 0.00 0.00 178.15 178.54 3kqf h ALA 198 N 1.13 0.59 -0.59 1.87 0.00 -1.12 -1.63 119.26 119.51 3kqf h ALA 198 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kqf h ALA 198 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kqf h ALA 198 CO -0.03 -0.13 0.21 0.93 0.00 0.00 0.00 179.25 180.24 3kqf h GLU 199 N 0.45 0.86 -0.45 0.00 5.08 -0.68 0.21 114.58 120.06 3kqf h GLU 199 Ca 0.21 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kqf h GLU 199 Cb 0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3kqf h GLU 199 CO -0.15 0.72 0.28 -0.22 -1.00 0.00 0.00 179.01 178.64 3kqf h LYS 200 N 0.85 0.60 -0.53 2.33 1.63 -0.85 -1.11 116.57 119.50 3kqf h LYS 200 Ca 0.20 -0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.88 3kqf h LYS 200 Cb 0.20 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3kqf h LYS 200 CO -0.01 0.43 0.07 0.82 -3.45 0.00 0.00 179.45 177.30 3kqf h ILE 201 N 0.60 1.25 0.00 2.00 2.04 -0.78 -2.47 117.51 120.16 3kqf h ILE 201 Ca 0.16 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 3kqf h ILE 201 Cb -0.03 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3kqf h ILE 201 CO -0.03 0.35 -0.02 0.00 0.00 0.00 0.00 178.15 178.45 3kqf h ALA 202 N 0.98 1.40 0.00 1.87 0.00 -0.29 -1.60 119.26 121.61 3kqf h ALA 202 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kqf h ALA 202 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kqf h ALA 202 CO 0.01 0.02 0.00 0.77 0.00 0.00 0.00 179.25 180.06 3kqf h SER 203 N 0.00 0.00 -3.79 0.00 0.02 -0.72 -3.46 113.55 105.59 3kqf h SER 203 Ca -0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 3kqf h SER 203 Cb 0.06 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.69 3kqf h SER 203 CO 0.00 0.00 0.27 0.20 -1.14 0.00 0.00 176.83 176.16 3kqf s ASN 204 N -5.67 4.56 -0.14 3.07 0.01 -0.60 -4.67 114.94 111.51 3kqf s ASN 204 Ca 0.06 0.42 -0.29 0.00 -0.71 0.00 0.00 52.86 52.35 3kqf s ASN 204 Cb 0.07 -0.97 -0.06 0.00 0.41 0.00 0.00 41.25 40.71 3kqf s ASN 204 CO 0.61 -1.78 2.00 -0.83 -1.51 0.00 0.00 177.10 175.60 3kqf s GLY 205 N -4.58 0.97 0.30 0.66 0.00 -1.26 -4.88 107.32 98.52 3kqf s GLY 205 Ca 0.62 0.88 -0.02 0.00 0.00 0.00 0.00 44.72 46.21 3kqf s GLY 205 CO 0.46 3.52 1.94 -2.55 0.00 0.00 0.00 173.10 176.47 3kqf h PRO 206 N 12.66 1.04 -0.35 2.90 0.11 -1.90 0.14 132.00 146.60 3kqf h PRO 206 Ca -0.42 -0.09 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 3kqf h PRO 206 Cb 1.22 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3kqf h PRO 206 CO 0.96 0.73 -0.16 0.82 -0.21 0.00 0.00 178.00 180.14 3kqf h ILE 207 N 1.06 1.29 -0.37 4.15 2.04 -1.90 -2.43 117.51 121.35 3kqf h ILE 207 Ca 0.28 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 3kqf h ILE 207 Cb -0.05 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3kqf h ILE 207 CO -0.05 0.42 0.17 0.00 0.00 0.00 0.00 178.15 178.68 3kqf h ALA 208 N 0.79 0.48 -0.69 1.87 0.00 -1.82 -1.58 119.26 118.31 3kqf h ALA 208 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kqf h ALA 208 Cb 0.69 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3kqf h ALA 208 CO 0.05 0.06 0.45 0.28 0.00 0.00 0.00 179.25 180.09 3kqf h VAL 209 N 0.46 1.15 -0.59 0.00 2.07 -0.93 0.43 116.25 118.84 3kqf h VAL 209 Ca 0.13 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3kqf h VAL 209 Cb 0.15 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3kqf h VAL 209 CO -0.01 0.17 0.20 0.03 0.02 0.00 0.00 177.57 177.98 3kqf h ARG 210 N 0.91 0.90 -0.37 1.57 3.08 -1.32 -0.69 114.38 118.46 3kqf h ARG 210 Ca 0.26 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 3kqf h ARG 210 Cb -0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3kqf h ARG 210 CO -0.07 0.79 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.36 3kqf h LEU 211 N 0.82 0.72 -0.38 3.04 3.38 -0.86 -2.13 115.31 119.90 3kqf h LEU 211 Ca 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3kqf h LEU 211 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3kqf h LEU 211 CO -0.01 0.91 0.21 0.00 0.09 0.00 0.00 178.44 179.64 3kqf h ALA 212 N 1.15 0.49 -0.33 1.53 0.00 -0.63 0.62 119.26 122.10 3kqf h ALA 212 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kqf h ALA 212 Cb 0.67 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3kqf h ALA 212 CO 0.05 0.01 0.11 -0.22 0.00 0.00 0.00 179.25 179.20 3kqf h LYS 213 N 0.49 0.24 -0.22 0.00 3.64 -0.87 -1.12 116.57 118.73 3kqf h LYS 213 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3kqf h LYS 213 Cb 0.06 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3kqf h LYS 213 CO -0.02 0.16 0.14 0.93 -2.27 0.00 0.00 179.45 178.39 3kqf h GLU 214 N 0.25 0.29 -0.39 1.90 4.39 -1.17 -1.21 114.58 118.65 3kqf h GLU 214 Ca 0.15 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 3kqf h GLU 214 Cb 0.12 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3kqf h GLU 214 CO -0.15 0.21 0.21 0.00 -1.16 0.00 0.00 179.01 178.12 3kqf h ALA 215 N 1.07 0.49 0.15 3.43 0.00 -0.62 -1.74 119.26 122.04 3kqf h ALA 215 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3kqf h ALA 215 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kqf h ALA 215 CO -0.02 0.02 -0.07 0.82 0.00 0.00 0.00 179.25 180.00 3kqf h ILE 216 N 0.50 1.00 -0.82 0.00 2.04 -1.18 -0.27 117.51 118.78 3kqf h ILE 216 Ca 0.14 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 3kqf h ILE 216 Cb 0.05 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3kqf h ILE 216 CO -0.02 0.19 0.42 0.28 0.00 0.00 0.00 178.15 179.02 3kqf h SER 217 N -0.62 1.06 0.13 1.72 0.02 -1.25 -1.41 113.55 113.19 3kqf h SER 217 Ca -0.02 -0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.57 3kqf h SER 217 Cb 0.47 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.75 3kqf h SER 217 CO 0.03 0.88 -1.13 0.78 -1.14 0.00 0.00 176.83 176.26 3kqf h ASN 218 N 1.16 0.43 -0.47 3.07 2.35 -1.40 -3.39 115.58 117.32 3kqf h ASN 218 Ca 0.28 -0.90 -0.04 0.00 -0.55 0.00 0.00 56.30 55.10 3kqf h ASN 218 Cb 0.08 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3kqf h ASN 218 CO -0.04 1.51 0.17 1.23 -1.65 0.00 0.00 177.43 178.65 3kqf h GLY 219 N -0.15 0.83 2.00 2.83 0.00 -1.01 -2.51 103.07 105.06 3kqf h GLY 219 Ca -0.23 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3kqf h GLY 219 CO 0.11 0.41 0.00 1.19 0.00 0.00 0.00 176.54 178.25 3kqf h ILE 220 N 0.76 0.00 -0.00 2.60 6.09 -1.44 -2.75 117.51 122.77 3kqf h ILE 220 Ca 0.18 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.54 3kqf h ILE 220 Cb 0.21 0.76 0.00 0.00 0.47 0.00 0.00 36.82 38.26 3kqf h ILE 220 CO -0.01 0.00 -0.11 0.00 -3.07 0.00 0.00 178.15 174.96 3kqf n GLN 221 N -2.31 0.44 -2.99 2.19 1.13 -0.95 -4.91 117.38 109.98 3kqf n GLN 221 Ca 0.00 -0.12 -0.10 0.00 -1.94 0.00 0.00 57.00 54.84 3kqf n GLN 221 Cb 0.14 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 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 -1.18 0.00 -1.76 5.09 0.24 -1.04 -5.13 118.33 114.55 3kqf n VAL 222 Ca 0.12 -0.98 -0.34 0.00 -2.04 0.00 0.00 64.34 61.10 3kqf n VAL 222 Cb 0.29 0.34 0.06 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.03 4.86 0.21 -1.34 -4.77 -1.26 -4.81 116.67 107.53 3kqf s ASP 223 Ca 0.08 2.24 -0.09 0.00 -3.30 0.00 0.00 52.55 51.49 3kqf s ASP 223 Cb 0.00 -2.58 0.28 0.00 -1.09 0.00 0.00 42.92 39.53 3kqf s ASP 223 CO 0.06 -1.81 1.76 0.25 0.70 0.00 0.00 175.17 176.13 3kqf h LEU 224 N 0.25 0.33 -0.30 2.11 5.85 -1.98 -0.65 115.31 120.92 3kqf h LEU 224 Ca -0.48 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3kqf h LEU 224 Cb 1.28 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 3kqf h LEU 224 CO 0.53 0.20 0.07 -0.74 -0.34 0.00 0.00 178.44 178.16 3kqf h HIS 225 N 0.49 0.13 -0.54 1.25 2.76 -1.98 0.13 115.15 117.39 3kqf h HIS 225 Ca 0.31 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.38 3kqf h HIS 225 Cb 0.34 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 3kqf h HIS 225 CO -0.14 0.04 -0.12 1.15 -1.30 0.00 0.00 177.93 177.57 3kqf h THR 226 N 0.19 1.27 -0.88 6.26 2.02 -1.85 -2.62 112.91 117.29 3kqf h THR 226 Ca 0.14 -1.28 0.01 0.00 0.77 0.00 0.00 66.41 66.04 3kqf h THR 226 Cb 0.14 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3kqf h THR 226 CO -0.17 0.45 0.58 1.23 0.37 0.00 0.00 175.52 177.98 3kqf h GLY 227 N 0.92 1.25 1.38 2.16 0.00 -0.26 -1.48 103.07 107.03 3kqf h GLY 227 Ca 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3kqf h GLY 227 CO 0.05 0.46 0.19 1.41 0.00 0.00 0.00 176.54 178.66 3kqf h LEU 228 N 1.20 0.72 -1.98 3.11 3.38 -0.53 -1.23 115.31 119.99 3kqf h LEU 228 Ca 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kqf h LEU 228 Cb -0.13 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3kqf h LEU 228 CO -0.07 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.13 3kqf n GLN 229 N -4.32 0.46 0.00 1.13 1.13 -0.56 -1.20 117.38 114.02 3kqf n GLN 229 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3kqf n GLN 229 Cb 0.18 -1.27 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 0.76 0.00 -0.37 -1.09 2.13 -0.46 -2.11 120.64 119.49 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 0.23 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.05 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 1.31 -0.02 5.31 3.64 -1.43 -0.75 116.57 124.64 3kqf h LYS 232 Ca 0.00 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.08 3kqf h LYS 232 Cb 0.00 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 3kqf h LYS 232 CO 0.00 0.89 -0.87 0.37 -2.27 0.00 0.00 179.45 177.57 3kqf h GLN 233 N 1.35 0.37 -0.82 1.90 5.75 -1.71 -2.93 115.11 119.03 3kqf h GLN 233 Ca 0.36 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3kqf h GLN 233 Cb -0.12 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.49 3kqf h GLN 233 CO -0.07 1.04 0.52 0.00 -2.65 0.00 0.00 178.83 177.67 3kqf h ALA 234 N 0.84 1.04 -0.32 3.38 0.00 -1.73 -2.48 119.26 119.99 3kqf h ALA 234 Ca -0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3kqf h ALA 234 Cb 1.48 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3kqf h ALA 234 CO 0.15 0.47 -0.07 -0.92 0.00 0.00 0.00 179.25 178.88 3kqf h TYR 235 N 1.11 0.54 -0.88 0.00 3.20 -1.09 -0.70 116.97 119.15 3kqf h TYR 235 Ca 0.30 -0.07 0.23 0.00 3.14 0.00 0.00 58.73 62.33 3kqf h TYR 235 Cb -0.09 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 37.98 3kqf h TYR 235 CO -0.01 0.58 0.61 0.93 -1.64 0.00 0.00 178.16 178.62 3kqf h GLU 236 N 0.48 0.18 0.00 1.82 4.39 -1.25 -1.58 114.58 118.62 3kqf h GLU 236 Ca 0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3kqf h GLU 236 Cb 0.42 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3kqf h GLU 236 CO 0.02 0.12 0.00 0.78 -1.16 0.00 0.00 179.01 178.77 3kqf h GLY 237 N 0.19 0.00 0.10 -3.84 0.00 -1.14 -2.60 103.07 95.78 3kqf h GLY 237 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3kqf h GLY 237 CO -0.09 0.00 -1.23 3.33 0.00 0.00 0.00 176.54 178.55 3kqf n VAL 238 N -2.98 0.02 0.05 4.60 0.24 -0.60 -4.57 118.33 115.08 3kqf n VAL 238 Ca -0.01 -0.15 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 3kqf n VAL 238 Cb 0.19 0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.79 -1.18 1.34 2.04 -1.44 -3.01 117.51 116.05 3kqf h ILE 239 Ca 0.00 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.31 3kqf h ILE 239 Cb 0.65 0.79 -0.18 0.00 -0.74 0.00 0.00 36.82 37.33 3kqf h ILE 239 CO 0.00 0.00 0.59 1.41 0.00 0.00 0.00 178.15 180.15 3kqf n HIS 240 N -5.20 1.81 -4.69 1.37 8.25 -1.26 -4.92 115.22 110.57 3kqf n HIS 240 Ca -0.06 -2.04 -0.27 0.00 -0.26 0.00 0.00 57.72 55.09 3kqf n HIS 240 Cb 0.13 -1.39 -0.14 0.00 1.12 0.00 0.00 29.99 29.71 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 -2.49 1.89 0.26 1.59 -4.23 -1.14 -5.02 115.64 106.50 3kqf s THR 241 Ca 0.58 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 3kqf s THR 241 Cb 0.38 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.62 3kqf s THR 241 CO -0.24 0.24 1.68 0.11 -0.54 0.00 0.00 174.62 175.87 3kqf h LYS 242 N 4.70 0.51 -0.72 3.99 1.57 -1.14 -3.16 116.57 122.32 3kqf h LYS 242 Ca -0.45 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.18 3kqf h LYS 242 Cb 1.16 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 3kqf h LYS 242 CO 0.43 0.76 0.41 -0.44 -0.57 0.00 0.00 179.45 180.04 3kqf h ASP 243 N 0.44 0.61 -0.70 0.86 3.32 -1.94 -0.43 116.42 118.58 3kqf h ASP 243 Ca 0.06 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3kqf h ASP 243 Cb 0.75 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 3kqf h ASP 243 CO 0.06 0.39 0.43 -0.09 -1.72 0.00 0.00 179.24 178.31 3kqf h ARG 244 N 0.75 0.80 -0.60 3.56 2.43 -1.80 -0.28 114.38 119.23 3kqf h ARG 244 Ca 0.33 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 3kqf h ARG 244 Cb 0.21 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3kqf h ARG 244 CO -0.19 0.53 0.26 -0.07 -1.51 0.00 0.00 179.97 178.99 3kqf h LEU 245 N 0.83 0.81 -1.13 3.80 3.38 -1.35 -2.60 115.31 119.05 3kqf h LEU 245 Ca 0.29 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kqf h LEU 245 Cb 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3kqf h LEU 245 CO -0.13 0.74 0.59 -0.08 0.09 0.00 0.00 178.44 179.65 3kqf h GLU 246 N 0.83 1.15 0.00 1.13 4.57 -0.55 0.21 114.58 121.93 3kqf h GLU 246 Ca 0.20 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 3kqf h GLU 246 Cb 0.17 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3kqf h GLU 246 CO -0.02 0.76 -0.15 0.78 -1.18 0.00 0.00 179.01 179.20 3kqf h GLY 247 N 1.19 -0.19 1.32 1.92 0.00 -0.69 0.11 103.07 106.73 3kqf h GLY 247 Ca 0.33 0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.75 3kqf h GLY 247 CO -0.08 -0.15 -0.05 1.41 0.00 0.00 0.00 176.54 177.68 3kqf h LEU 248 N -0.25 0.79 -0.40 3.11 3.38 -1.22 -1.78 115.31 118.94 3kqf h LEU 248 Ca 0.05 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3kqf h LEU 248 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kqf h LEU 248 CO -0.14 0.89 0.04 -0.61 0.09 0.00 0.00 178.44 178.70 3kqf h GLN 249 N 0.75 0.69 -0.50 1.13 5.75 -0.61 0.62 115.11 122.94 3kqf h GLN 249 Ca 0.14 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3kqf h GLN 249 Cb 0.52 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 3kqf h GLN 249 CO 0.03 0.75 0.19 0.00 -2.65 0.00 0.00 178.83 177.15 3kqf h ALA 250 N 0.91 1.40 -0.35 3.38 0.00 -0.71 0.61 119.26 124.50 3kqf h ALA 250 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kqf h ALA 250 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kqf h ALA 250 CO 0.01 0.45 0.08 0.35 0.00 0.00 0.00 179.25 180.15 3kqf h PHE 251 N 0.71 0.59 -0.29 0.00 3.57 -0.83 0.55 116.94 121.24 3kqf h PHE 251 Ca 0.17 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3kqf h PHE 251 Cb 0.16 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3kqf h PHE 251 CO 0.01 0.59 0.03 -0.22 -2.23 0.00 0.00 178.31 176.49 3kqf h LYS 252 N 0.41 0.49 -0.00 1.11 3.64 -0.13 -2.86 116.57 119.23 3kqf h LYS 252 Ca 0.11 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kqf h LYS 252 Cb 0.30 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3kqf h LYS 252 CO 0.00 0.62 -0.00 0.39 -2.27 0.00 0.00 179.45 178.19 3kqf n GLU 253 N -4.62 0.98 -3.50 1.90 1.02 0.21 -4.94 120.64 111.70 3kqf n GLU 253 Ca -0.03 -0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.83 3kqf n GLU 253 Cb 0.23 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.97 -1.60 -3.99 3.49 5.02 0.06 -5.01 118.16 115.17 3kqf n LYS 254 Ca 0.23 0.67 -0.10 0.00 -2.02 0.00 0.00 58.31 57.09 3kqf n LYS 254 Cb 0.13 -4.78 -0.04 0.00 -0.02 0.00 0.00 35.03 30.32 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 -5.23 1.68 0.11 1.97 1.70 -0.47 -5.05 118.95 113.67 3kqf s ARG 255 Ca 0.44 -1.34 -0.31 0.00 -0.47 0.00 0.00 55.73 54.06 3kqf s ARG 255 Cb -0.12 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.68 3kqf s ARG 255 CO 0.81 -0.71 1.28 0.99 -1.08 0.00 0.00 175.30 176.59 3kqf s THR 256 N -3.70 3.61 0.00 4.99 2.01 -1.26 -4.55 115.64 116.73 3kqf s THR 256 Ca 0.22 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.42 3kqf s THR 256 Cb -0.01 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.73 3kqf s THR 256 CO 0.11 0.12 0.00 -0.81 -0.69 0.00 0.00 174.62 173.35 3kqf n PRO 257 N 3.60 2.59 -3.57 4.92 -0.04 -1.26 -4.97 135.00 136.27 3kqf n PRO 257 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 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 0.07 -0.35 0.00 0.54 2.02 -1.26 -5.06 117.35 113.30 3kqf s TYR 259 Ca 0.00 0.56 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 3kqf s TYR 259 Cb 0.00 0.46 0.00 0.00 -0.40 0.00 0.00 41.96 42.02 3kqf s TYR 259 CO 0.00 -0.35 0.29 1.63 -1.57 0.00 0.00 175.55 175.56 3kqf n LYS 260 N 0.61 0.62 -2.60 -0.62 4.76 -1.26 -5.00 118.16 114.67 3kqf n LYS 260 Ca -0.09 -0.29 -0.06 0.00 -2.87 0.00 0.00 58.31 54.99 3kqf n LYS 260 Cb 0.58 -0.77 0.03 0.00 -1.84 0.00 0.00 35.03 33.03 3kqf n LYS 260 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kqf n GLY 261 N 0.17 0.34 0.00 0.72 0.00 -1.26 -5.04 105.19 100.12 3kqf n GLY 261 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3kqf n GLY 261 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48