#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 0.53 -0.00 3.23 6.02 -1.26 -4.68 117.38 121.22 3kqf n GLN 5 Ca 0.00 -0.10 0.06 0.00 -0.01 0.00 0.00 57.00 56.95 3kqf n GLN 5 Cb 0.00 -1.28 -0.08 0.00 1.02 0.00 0.00 30.24 29.91 3kqf n GLN 5 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kqf n ASN 6 N -1.95 0.81 -4.17 1.08 3.02 -1.26 -4.91 115.26 107.87 3kqf n ASN 6 Ca -0.04 -0.68 -0.11 0.00 -0.03 0.00 0.00 54.58 53.73 3kqf n ASN 6 Cb 0.35 1.09 -0.10 0.00 -0.61 0.00 0.00 39.78 40.51 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 -2.29 0.51 -0.02 2.41 -4.36 -1.26 0.15 121.20 116.34 3kqf s ILE 7 Ca 0.03 -1.92 0.06 0.00 -0.26 0.00 0.00 60.65 58.57 3kqf s ILE 7 Cb 0.09 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 3kqf s ILE 7 CO 0.52 -0.72 -0.21 -0.44 0.24 0.00 0.00 174.94 174.33 3kqf s SER 8 N -3.06 2.52 -0.14 4.36 0.01 0.09 -4.80 113.70 112.67 3kqf s SER 8 Ca 0.16 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.04 3kqf s SER 8 Cb 0.06 -0.32 0.02 0.00 0.21 0.00 0.00 66.02 66.00 3kqf s SER 8 CO -0.02 0.26 -0.15 -0.69 0.41 0.00 0.00 173.24 173.05 3kqf s VAL 9 N -0.46 1.61 -0.16 3.43 1.01 -1.26 -0.45 120.40 124.11 3kqf s VAL 9 Ca 0.07 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3kqf s VAL 9 Cb -0.09 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.82 3kqf s VAL 9 CO -0.01 0.46 -0.15 -0.62 0.00 0.00 0.00 175.10 174.79 3kqf s ASP 10 N 1.38 2.92 -0.31 3.32 2.15 0.08 -4.98 116.67 121.24 3kqf s ASP 10 Ca 0.03 -0.60 0.11 0.00 0.43 0.00 0.00 52.55 52.52 3kqf s ASP 10 Cb -0.13 -1.27 0.69 0.00 -0.30 0.00 0.00 42.92 41.91 3kqf s ASP 10 CO -0.09 -0.06 1.72 -1.22 -0.17 0.00 0.00 175.17 175.35 3kqf n TYR 11 N 4.72 2.12 -0.13 -5.34 4.02 -1.26 -0.99 117.16 120.30 3kqf n TYR 11 Ca -0.18 -1.22 -0.05 0.00 -0.01 0.00 0.00 57.90 56.44 3kqf n TYR 11 Cb 0.49 -0.63 0.02 0.00 -0.02 0.00 0.00 39.34 39.21 3kqf n TYR 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kqf h ALA 12 N 2.32 0.16 -2.72 -0.72 0.00 -1.94 -3.40 119.26 112.95 3kqf h ALA 12 Ca 0.24 0.16 -0.56 0.00 0.00 0.00 0.00 54.91 54.74 3kqf h ALA 12 Cb 2.16 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 20.36 3kqf h ALA 12 CO 0.64 -0.53 0.06 -0.08 0.00 0.00 0.00 179.25 179.34 3kqf s THR 13 N -6.16 5.04 0.21 0.00 -1.32 -1.26 -5.02 115.64 107.14 3kqf s THR 13 Ca -0.14 1.39 -0.32 0.00 -1.21 0.00 0.00 61.69 61.40 3kqf s THR 13 Cb 0.15 -4.01 -0.14 0.00 -1.51 0.00 0.00 72.50 66.99 3kqf s THR 13 CO 0.71 0.27 1.45 -2.65 -2.21 0.00 0.00 174.62 172.19 3kqf n PRO 14 N 3.66 2.03 -0.78 7.08 -0.02 -1.26 -2.07 135.00 143.64 3kqf n PRO 14 Ca -0.02 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3kqf n PRO 14 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.31 0.00 -4.82 6.00 8.25 -1.26 -4.98 115.22 120.73 3kqf n HIS 15 Ca 0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.33 3kqf n HIS 15 Cb 0.30 -0.82 -0.16 0.00 1.12 0.00 0.00 29.99 30.43 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 -2.29 1.43 -0.07 1.59 1.01 -0.88 -0.00 120.40 121.19 3kqf s VAL 16 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3kqf s VAL 16 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3kqf s VAL 16 CO 0.00 0.42 -0.24 0.54 0.00 0.00 0.00 175.10 175.82 3kqf s VAL 17 N 0.29 2.15 -0.23 2.92 0.11 -0.74 -4.32 120.40 120.59 3kqf s VAL 17 Ca -0.10 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 57.91 3kqf s VAL 17 Cb -0.14 -1.79 0.02 0.00 -1.53 0.00 0.00 36.38 32.93 3kqf s VAL 17 CO 0.04 0.57 -0.08 -0.75 -3.33 0.00 0.00 175.10 171.54 3kqf s LYS 18 N -0.06 2.97 -0.23 1.54 2.20 -0.16 -0.68 119.74 125.32 3kqf s LYS 18 Ca -0.06 -0.88 -0.09 0.00 -0.36 0.00 0.00 55.97 54.57 3kqf s LYS 18 Cb -0.15 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3kqf s LYS 18 CO 0.05 -0.33 0.12 0.42 -0.36 0.00 0.00 175.35 175.25 3kqf s ILE 19 N 1.35 4.95 -0.15 5.43 1.01 0.48 -0.74 121.20 133.53 3kqf s ILE 19 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3kqf s ILE 19 Cb -0.16 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3kqf s ILE 19 CO -0.06 0.36 -0.18 -0.44 0.00 0.00 0.00 174.94 174.62 3kqf s SER 20 N 1.15 3.45 0.26 3.58 0.01 0.40 -1.15 113.70 121.40 3kqf s SER 20 Ca 0.06 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 3kqf s SER 20 Cb -0.14 -1.52 -0.10 0.00 0.21 0.00 0.00 66.02 64.47 3kqf s SER 20 CO 0.04 0.08 1.44 -0.76 0.41 0.00 0.00 173.24 174.45 3kqf s LEU 21 N 0.86 4.39 -0.49 2.44 1.43 0.30 -0.73 118.68 126.87 3kqf s LEU 21 Ca -0.05 2.69 0.08 0.00 -1.03 0.00 0.00 54.13 55.82 3kqf s LEU 21 Cb -0.15 -3.63 0.34 0.00 0.03 0.00 0.00 46.19 42.78 3kqf s LEU 21 CO -0.02 -0.70 0.85 -3.20 0.23 0.00 0.00 176.35 173.51 3kqf n ASN 22 N 2.14 2.83 -3.14 2.29 5.15 0.12 -0.97 115.26 123.68 3kqf n ASN 22 Ca 0.06 -3.38 -0.20 0.00 -0.60 0.00 0.00 54.58 50.46 3kqf n ASN 22 Cb 0.40 -0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 39.03 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 0.00 1.48 -0.33 1.20 1.74 -1.26 -4.64 116.66 114.86 3kqf n ARG 23 Ca 0.28 -3.72 0.05 0.00 -0.77 0.00 0.00 57.85 53.70 3kqf n ARG 23 Cb 0.51 -1.81 0.21 0.00 -1.02 0.00 0.00 32.46 30.35 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 3.08 0.87 0.00 5.56 5.08 -1.89 0.10 114.58 127.39 3kqf h GLU 24 Ca 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kqf h GLU 24 Cb 0.86 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3kqf h GLU 24 CO 0.57 0.58 -0.05 0.00 -1.00 0.00 0.00 179.01 179.11 3kqf h ARG 25 N 0.90 0.00 -0.43 2.33 3.08 -1.98 -2.15 114.38 116.13 3kqf h ARG 25 Ca 0.45 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.31 3kqf h ARG 25 Cb 0.44 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.37 3kqf h ARG 25 CO -0.26 0.05 0.03 1.04 -1.07 0.00 0.00 179.97 179.76 3kqf n GLN 26 N -3.76 2.14 -2.82 0.04 1.13 -0.48 -4.95 117.38 108.67 3kqf n GLN 26 Ca -0.03 -3.10 -0.19 0.00 -1.94 0.00 0.00 57.00 51.74 3kqf n GLN 26 Cb 0.14 -1.88 0.00 0.00 0.11 0.00 0.00 30.24 28.61 3kqf n GLN 26 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kqf n ALA 27 N -0.99 -0.88 -3.29 -1.58 0.00 -0.81 -1.98 120.51 110.98 3kqf n ALA 27 Ca 0.35 0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.70 3kqf n ALA 27 Cb 1.10 -2.50 0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.13 -5.02 -4.77 0.00 3.02 0.24 -1.60 115.26 105.00 3kqf n ASN 28 Ca -0.12 -0.40 -0.35 0.00 -0.03 0.00 0.00 54.58 53.68 3kqf n ASN 28 Cb 0.60 -4.07 -0.00 0.00 -0.61 0.00 0.00 39.78 35.70 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 -2.81 5.80 -0.93 6.41 1.04 -0.84 -4.02 113.70 118.35 3kqf s SER 29 Ca 0.40 2.19 -0.23 0.00 0.48 0.00 0.00 55.95 58.79 3kqf s SER 29 Cb -0.19 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.41 3kqf s SER 29 CO 0.49 -1.17 1.33 -0.76 0.98 0.00 0.00 173.24 174.11 3kqf s LEU 30 N -3.69 3.79 0.52 2.42 1.43 0.11 -4.76 118.68 118.50 3kqf s LEU 30 Ca 0.71 -1.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 3kqf s LEU 30 Cb -0.24 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3kqf s LEU 30 CO 0.28 -1.48 0.84 -0.94 0.23 0.00 0.00 176.35 175.27 3kqf s SER 31 N 4.44 6.10 0.31 2.29 1.04 -1.26 -2.69 113.70 123.92 3kqf s SER 31 Ca 0.40 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.75 3kqf s SER 31 Cb -0.03 -2.14 0.52 0.00 0.10 0.00 0.00 66.02 64.47 3kqf s SER 31 CO -0.04 -0.73 1.95 -0.07 0.98 0.00 0.00 173.24 175.33 3kqf h LEU 32 N 0.07 0.89 -0.65 2.42 3.38 -1.97 -0.77 115.31 118.69 3kqf h LEU 32 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kqf h LEU 32 Cb 1.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3kqf h LEU 32 CO 0.61 0.61 0.42 0.00 0.09 0.00 0.00 178.44 180.18 3kqf h ALA 33 N 1.51 0.83 -0.48 1.53 0.00 -2.00 -1.06 119.26 119.60 3kqf h ALA 33 Ca 0.34 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 3kqf h ALA 33 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kqf h ALA 33 CO -0.10 0.28 -0.23 1.25 0.00 0.00 0.00 179.25 180.45 3kqf h LEU 34 N 0.89 1.03 -0.85 0.00 6.46 -1.77 -2.73 115.31 118.34 3kqf h LEU 34 Ca 0.24 -0.40 -0.07 0.00 -0.12 0.00 0.00 57.88 57.53 3kqf h LEU 34 Cb -0.08 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 39.54 3kqf h LEU 34 CO -0.05 1.20 0.09 -0.07 -0.62 0.00 0.00 178.44 178.99 3kqf h LEU 35 N 0.85 0.91 -0.30 2.25 3.38 -0.88 0.46 115.31 121.97 3kqf h LEU 35 Ca 0.11 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3kqf h LEU 35 Cb 0.81 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3kqf h LEU 35 CO 0.07 0.91 0.13 -0.08 0.09 0.00 0.00 178.44 179.57 3kqf h GLU 36 N 0.90 0.28 -0.56 1.13 4.57 -1.10 0.23 114.58 120.03 3kqf h GLU 36 Ca 0.18 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 3kqf h GLU 36 Cb 0.40 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3kqf h GLU 36 CO 0.01 0.18 -0.06 0.93 -1.18 0.00 0.00 179.01 178.89 3kqf h GLU 37 N 0.29 1.01 -0.59 1.92 5.08 -1.15 -2.17 114.58 118.96 3kqf h GLU 37 Ca 0.13 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 3kqf h GLU 37 Cb 0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3kqf h GLU 37 CO -0.11 1.02 -0.04 1.25 -1.00 0.00 0.00 179.01 180.13 3kqf h LEU 38 N 0.91 1.06 -0.78 1.33 5.85 -0.68 -1.87 115.31 121.12 3kqf h LEU 38 Ca 0.15 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 3kqf h LEU 38 Cb 0.61 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3kqf h LEU 38 CO 0.04 1.13 0.23 1.56 -0.34 0.00 0.00 178.44 181.05 3kqf h GLN 39 N 0.96 1.14 -0.63 1.25 4.20 -0.78 -1.33 115.11 119.92 3kqf h GLN 39 Ca 0.16 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3kqf h GLN 39 Cb 0.61 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3kqf h GLN 39 CO 0.04 0.97 0.10 -0.91 -0.67 0.00 0.00 178.83 178.36 3kqf h ASN 40 N 1.10 1.00 -0.29 1.46 2.35 -1.16 -2.02 115.58 118.02 3kqf h ASN 40 Ca 0.24 -0.26 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 3kqf h ASN 40 Cb 0.31 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3kqf h ASN 40 CO -0.01 1.01 -0.30 0.40 -1.65 0.00 0.00 177.43 176.88 3kqf h ILE 41 N 0.96 1.28 -0.71 2.81 1.08 -1.11 -2.87 117.51 118.94 3kqf h ILE 41 Ca 0.19 -1.45 -0.04 0.00 -0.39 0.00 0.00 64.86 63.17 3kqf h ILE 41 Cb 0.44 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 3kqf h ILE 41 CO 0.01 0.48 0.30 -0.07 -0.69 0.00 0.00 178.15 178.18 3kqf h LEU 42 N 0.68 0.96 -1.10 1.44 3.38 -1.09 -1.21 115.31 118.36 3kqf h LEU 42 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kqf h LEU 42 Cb 0.85 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3kqf h LEU 42 CO 0.07 0.84 0.39 0.74 0.09 0.00 0.00 178.44 180.58 3kqf h THR 43 N 1.03 1.22 -0.13 0.22 2.02 -1.23 -0.85 112.91 115.19 3kqf h THR 43 Ca 0.24 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 3kqf h THR 43 Cb 0.17 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3kqf h THR 43 CO -0.02 0.25 -0.24 -0.61 0.37 0.00 0.00 175.52 175.26 3kqf h GLN 44 N 1.03 0.40 -0.36 6.66 4.15 -1.25 -3.24 115.11 122.50 3kqf h GLN 44 Ca 0.26 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3kqf h GLN 44 Cb 0.04 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3kqf h GLN 44 CO -0.04 0.84 0.02 0.82 -1.93 0.00 0.00 178.83 178.55 3kqf h ILE 45 N -0.01 1.19 -0.65 2.39 2.04 -1.06 -2.23 117.51 119.18 3kqf h ILE 45 Ca 0.01 -0.76 0.16 0.00 1.00 0.00 0.00 64.86 65.27 3kqf h ILE 45 Cb 0.82 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3kqf h ILE 45 CO 0.05 0.26 0.45 -1.13 0.00 0.00 0.00 178.15 177.79 3kqf h ASN 46 N 0.53 0.18 -0.36 1.72 -1.24 -1.18 -1.07 115.58 114.16 3kqf h ASN 46 Ca 0.12 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3kqf h ASN 46 Cb 0.31 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.33 3kqf h ASN 46 CO 0.01 0.09 0.00 -0.62 -1.29 0.00 0.00 177.43 175.62 3kqf n GLU 47 N -4.42 2.48 -2.94 6.67 -0.58 -0.85 -4.81 120.64 116.18 3kqf n GLU 47 Ca 0.12 -2.26 -0.43 0.00 -0.42 0.00 0.00 57.16 54.17 3kqf n GLU 47 Cb 0.59 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 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 -1.50 3.14 0.43 3.49 2.02 -0.41 -4.89 118.70 120.99 3kqf s GLU 48 Ca 0.37 -0.82 0.22 0.00 0.02 0.00 0.00 54.97 54.76 3kqf s GLU 48 Cb 0.22 -4.18 0.96 0.00 0.10 0.00 0.00 34.13 31.23 3kqf s GLU 48 CO 0.31 -1.62 1.86 0.00 0.02 0.00 0.00 175.26 175.84 3kqf h ALA 49 N 9.37 1.12 0.00 5.21 0.00 -1.90 -2.95 119.26 130.11 3kqf h ALA 49 Ca -0.28 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kqf h ALA 49 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kqf h ALA 49 CO 1.12 0.33 0.00 -0.91 0.00 0.00 0.00 179.25 179.78 3kqf h ASN 50 N 0.00 0.00 -3.63 0.00 2.35 -1.97 -3.43 115.58 108.89 3kqf h ASN 50 Ca -0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 3kqf h ASN 50 Cb 0.68 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.91 3kqf h ASN 50 CO 0.03 0.00 -0.14 -0.89 -1.65 0.00 0.00 177.43 174.79 3kqf s THR 51 N -3.20 5.13 -0.07 2.81 2.01 -1.12 -4.26 115.64 116.95 3kqf s THR 51 Ca 0.08 0.72 0.17 0.00 0.31 0.00 0.00 61.69 62.98 3kqf s THR 51 Cb 0.10 -3.76 -0.26 0.00 0.01 0.00 0.00 72.50 68.59 3kqf s THR 51 CO 0.57 0.14 0.29 0.54 -0.69 0.00 0.00 174.62 175.46 3kqf n ARG 52 N 5.31 0.78 -3.74 4.92 1.74 1.00 -4.88 116.66 121.79 3kqf n ARG 52 Ca -0.07 -0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 56.77 3kqf n ARG 52 Cb 0.50 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.98 0.03 0.02 1.55 1.01 -0.93 -4.01 120.40 115.08 3kqf s VAL 53 Ca -0.07 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3kqf s VAL 53 Cb 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 3kqf s VAL 53 CO 0.74 -0.14 -0.25 -0.69 0.00 0.00 0.00 175.10 174.76 3kqf s VAL 54 N -0.67 2.02 -0.09 2.92 1.01 -0.56 -1.79 120.40 123.25 3kqf s VAL 54 Ca -0.08 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 60.72 3kqf s VAL 54 Cb -0.04 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3kqf s VAL 54 CO 0.03 0.44 -0.22 -0.63 0.00 0.00 0.00 175.10 174.71 3kqf s ILE 55 N -0.71 2.25 -0.14 2.22 1.01 0.15 -0.39 121.20 125.59 3kqf s ILE 55 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3kqf s ILE 55 Cb -0.10 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.52 3kqf s ILE 55 CO 0.01 0.56 -0.19 -0.22 0.00 0.00 0.00 174.94 175.10 3kqf s LEU 56 N 0.11 2.27 0.33 2.97 2.96 -0.10 -0.39 118.68 126.84 3kqf s LEU 56 Ca -0.11 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 3kqf s LEU 56 Cb -0.16 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.04 3kqf s LEU 56 CO 0.06 0.09 0.46 0.28 -1.32 0.00 0.00 176.35 175.92 3kqf s THR 57 N 0.77 0.00 0.15 3.68 -1.32 -0.30 -0.61 115.64 118.01 3kqf s THR 57 Ca -0.07 -1.61 0.09 0.00 -1.21 0.00 0.00 61.69 58.89 3kqf s THR 57 Cb -0.16 -2.61 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 3kqf s THR 57 CO -0.00 0.00 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.45 3kqf s GLY 58 N -3.23 1.73 0.40 6.08 0.00 -1.26 -0.54 107.32 110.50 3kqf s GLY 58 Ca 0.30 -1.42 -0.24 0.00 0.00 0.00 0.00 44.72 43.37 3kqf s GLY 58 CO 0.20 -1.42 1.02 0.00 0.00 0.00 0.00 173.10 172.90 3kqf s ALA 59 N -1.47 3.08 0.00 3.20 0.00 -0.14 -4.82 121.76 121.60 3kqf s ALA 59 Ca 0.22 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3kqf s ALA 59 Cb -0.10 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3kqf s ALA 59 CO 0.13 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3kqf n GLY 60 N 0.21 -2.04 0.05 0.00 0.00 -1.26 -4.60 105.19 97.55 3kqf n GLY 60 Ca 0.05 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.43 3kqf n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kqf n GLU 61 N -0.05 1.98 -0.06 1.61 4.71 -1.26 -4.76 120.64 122.80 3kqf n GLU 61 Ca 0.00 -1.70 -0.08 0.00 -0.01 0.00 0.00 57.16 55.38 3kqf n GLU 61 Cb 0.00 -1.07 -0.08 0.00 -1.01 0.00 0.00 31.44 29.28 3kqf n GLU 61 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kqf n LYS 62 N -0.71 1.30 -3.76 3.49 5.02 -1.26 -4.70 118.16 117.54 3kqf n LYS 62 Ca 0.05 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.23 3kqf n LYS 62 Cb 0.42 -1.29 -0.15 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.28 -0.13 -0.10 7.82 0.00 -1.26 -1.44 121.76 124.38 3kqf s ALA 63 Ca -0.12 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 3kqf s ALA 63 Cb 0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 23.12 22.64 3kqf s ALA 63 CO 0.41 -0.14 0.57 0.35 0.00 0.00 0.00 175.76 176.94 3kqf h PHE 64 N 7.28 -0.07 -0.70 0.00 3.57 -1.17 -3.40 116.94 122.45 3kqf h PHE 64 Ca -0.44 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.25 3kqf h PHE 64 Cb 1.13 0.02 -0.23 0.00 2.79 0.00 0.00 35.95 39.67 3kqf h PHE 64 CO 0.46 0.43 0.16 0.00 -2.23 0.00 0.00 178.31 177.13 3kqf n ALA 66 N 5.19 2.45 0.00 0.00 0.00 -0.63 -1.77 120.51 125.75 3kqf n ALA 66 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kqf n ALA 66 Cb 0.53 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.51 -0.55 3.78 0.00 0.00 -0.99 -4.59 105.19 103.34 3kqf n GLY 67 Ca 0.06 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 3kqf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqf s ALA 68 N -1.77 3.51 -0.58 4.61 0.00 -1.26 0.04 121.76 126.30 3kqf s ALA 68 Ca 0.00 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 3kqf s ALA 68 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3kqf s ALA 68 CO 0.00 -0.96 1.74 0.34 0.00 0.00 0.00 175.76 176.88 3kqf s ASP 69 N -0.29 5.55 0.43 0.00 3.68 -1.09 -4.66 116.67 120.28 3kqf s ASP 69 Ca 0.53 0.38 0.23 0.00 2.13 0.00 0.00 52.55 55.82 3kqf s ASP 69 Cb -0.44 -2.53 0.91 0.00 -1.45 0.00 0.00 42.92 39.40 3kqf s ASP 69 CO 0.59 -2.15 1.82 -0.07 0.13 0.00 0.00 175.17 175.50 3kqf h LEU 70 N 15.31 0.00 -0.63 -1.34 3.38 -1.92 -1.92 115.31 128.18 3kqf h LEU 70 Ca -0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3kqf h LEU 70 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3kqf h LEU 70 CO 1.19 0.24 -0.05 0.11 0.09 0.00 0.00 178.44 180.03 3kqf h LYS 71 N 0.00 1.02 -0.16 1.13 1.57 -1.97 -2.20 116.57 115.95 3kqf h LYS 71 Ca -0.00 -0.34 -0.20 0.00 -1.87 0.00 0.00 60.65 58.24 3kqf h LYS 71 Cb 0.75 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3kqf h LYS 71 CO 0.03 1.03 -0.70 1.49 -0.57 0.00 0.00 179.45 180.73 3kqf h GLU 72 N 0.92 0.69 -0.44 3.15 4.81 -1.89 -3.28 114.58 118.53 3kqf h GLU 72 Ca 0.15 -0.52 -0.10 0.00 -0.13 0.00 0.00 59.36 58.77 3kqf h GLU 72 Cb 0.60 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3kqf h GLU 72 CO 0.04 1.14 -0.12 0.00 -0.73 0.00 0.00 179.01 179.34 3kqf h ARG 73 N 0.49 0.80 -6.17 1.92 2.47 -1.27 -3.45 114.38 109.17 3kqf h ARG 73 Ca -0.03 -0.27 -0.73 0.00 -1.26 0.00 0.00 59.98 57.69 3kqf h ARG 73 Cb 1.30 -0.06 0.02 0.00 -1.65 0.00 0.00 29.97 29.58 3kqf h ARG 73 CO 0.14 0.88 0.80 0.00 0.56 0.00 0.00 179.97 182.34 3kqf n ALA 74 N -2.49 -0.40 -1.37 0.04 0.00 -0.84 -4.90 120.51 110.56 3kqf n ALA 74 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3kqf n ALA 74 Cb 0.37 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3kqf n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqf n GLY 75 N 3.80 -2.69 3.60 0.00 0.00 -1.26 -5.05 105.19 103.59 3kqf n GLY 75 Ca 0.25 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 3.34 0.17 1.61 2.20 -1.26 -5.12 114.94 115.88 3kqf s ASN 77 Ca 0.00 -1.54 -0.16 0.00 -0.94 0.00 0.00 52.86 50.22 3kqf s ASN 77 Cb 0.00 0.19 0.11 0.00 -2.00 0.00 0.00 41.25 39.55 3kqf s ASN 77 CO 0.00 -0.74 1.69 -0.33 -2.94 0.00 0.00 177.10 174.78 3kqf h GLU 78 N 1.72 0.07 -0.67 3.55 5.08 -2.02 -0.87 114.58 121.43 3kqf h GLU 78 Ca -0.41 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 3kqf h GLU 78 Cb 1.27 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3kqf h GLU 78 CO 0.70 0.04 0.24 1.05 -1.00 0.00 0.00 179.01 180.05 3kqf h GLU 79 N 0.07 1.01 -0.61 2.33 4.11 -2.03 -1.52 114.58 117.93 3kqf h GLU 79 Ca 0.20 -0.18 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 3kqf h GLU 79 Cb 0.29 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3kqf h GLU 79 CO -0.36 0.84 0.15 1.96 0.07 0.00 0.00 179.01 181.67 3kqf h GLN 80 N 0.98 0.98 -0.07 1.06 4.20 -1.86 -1.37 115.11 119.03 3kqf h GLN 80 Ca 0.22 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kqf h GLN 80 Cb 0.23 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3kqf h GLN 80 CO -0.01 0.90 0.04 0.28 -0.67 0.00 0.00 178.83 179.36 3kqf h VAL 81 N 0.90 1.09 -0.84 -0.54 2.07 -0.73 -0.37 116.25 117.83 3kqf h VAL 81 Ca 0.19 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kqf h VAL 81 Cb 0.35 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3kqf h VAL 81 CO 0.00 0.07 0.52 0.03 0.02 0.00 0.00 177.57 178.21 3kqf h ARG 82 N 0.02 1.13 -0.43 1.57 3.08 -1.18 -1.05 114.38 117.52 3kqf h ARG 82 Ca 0.03 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3kqf h ARG 82 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3kqf h ARG 82 CO -0.00 0.78 -0.08 1.25 -1.07 0.00 0.00 179.97 180.84 3kqf h HIS 83 N 1.15 0.91 -0.35 3.04 2.76 -1.01 -0.65 115.15 121.00 3kqf h HIS 83 Ca 0.30 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3kqf h HIS 83 Cb -0.07 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 3kqf h HIS 83 CO 0.00 0.92 0.12 0.00 -1.30 0.00 0.00 177.93 177.67 3kqf h ALA 84 N 0.87 0.46 -0.23 5.26 0.00 -0.67 -2.63 119.26 122.33 3kqf h ALA 84 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3kqf h ALA 84 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kqf h ALA 84 CO 0.04 0.09 -0.33 0.28 0.00 0.00 0.00 179.25 179.33 3kqf h VAL 85 N 0.42 1.28 0.00 0.00 2.07 -1.17 -2.76 116.25 116.10 3kqf h VAL 85 Ca 0.12 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3kqf h VAL 85 Cb 0.23 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3kqf h VAL 85 CO -0.01 0.44 0.00 -0.24 0.02 0.00 0.00 177.57 177.79 3kqf n SER 86 N -4.07 0.60 0.00 0.57 2.88 -0.26 -1.60 113.62 111.74 3kqf n SER 86 Ca -0.01 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 3kqf n SER 86 Cb 0.46 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.86 0.00 -0.11 2.46 5.41 -1.04 -1.22 119.36 125.72 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 0.10 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.04 3kqf n ILE 88 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3kqf h ARG 89 N 0.00 0.04 -0.79 0.38 2.43 -1.57 -2.41 114.38 112.46 3kqf h ARG 89 Ca 0.00 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3kqf h ARG 89 Cb 0.00 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3kqf h ARG 89 CO 0.00 0.03 0.35 1.15 -1.51 0.00 0.00 179.97 179.99 3kqf h THR 90 N 0.05 1.25 0.00 0.20 2.02 -1.42 -2.51 112.91 112.50 3kqf h THR 90 Ca 0.18 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3kqf h THR 90 Cb 0.26 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3kqf h THR 90 CO -0.34 0.32 0.00 0.41 0.37 0.00 0.00 175.52 176.27 3kqf n THR 91 N -4.29 0.12 -1.01 3.16 -1.04 -0.91 -4.71 114.28 105.60 3kqf n THR 91 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3kqf n THR 91 Cb 0.16 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 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 0.87 -1.41 0.00 -2.82 1.02 -0.95 -4.69 120.64 112.67 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 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.75 0.00 0.12 2.62 0.31 -1.26 -0.94 118.33 118.42 3kqf n VAL 95 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3kqf n VAL 95 Cb 0.14 0.00 0.43 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.26 -0.05 5.55 4.81 -1.83 -2.80 114.58 120.52 3kqf h GLU 96 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3kqf h GLU 96 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3kqf h GLU 96 CO 0.00 0.32 0.00 1.04 -0.73 0.00 0.00 179.01 179.64 3kqf n GLN 97 N -4.35 1.83 -1.73 1.92 6.02 -0.12 -4.94 117.38 116.01 3kqf n GLN 97 Ca -0.00 -1.22 -0.40 0.00 -0.01 0.00 0.00 57.00 55.37 3kqf n GLN 97 Cb 0.20 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.02 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 0.47 4.86 0.22 1.08 4.77 -1.06 -4.88 117.00 122.47 3kqf n LEU 98 Ca 0.18 1.07 0.08 0.00 -0.03 0.00 0.00 56.01 57.30 3kqf n LEU 98 Cb 0.41 -1.56 0.50 0.00 -2.33 0.00 0.00 43.42 40.44 3kqf n LEU 98 CO 0.16 -0.47 0.82 1.55 -1.33 0.00 0.00 177.39 178.12 3kqf h PRO 99 N 1.94 0.00 -6.86 3.23 0.13 -1.91 -3.44 132.00 125.08 3kqf h PRO 99 Ca -0.50 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.14 3kqf h PRO 99 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3kqf h PRO 99 CO 0.59 0.26 0.16 -0.65 -0.23 0.00 0.00 178.00 178.13 3kqf s GLN 100 N -4.04 3.92 0.51 0.86 1.11 -1.26 -4.59 119.66 116.17 3kqf s GLN 100 Ca -0.02 0.66 -0.23 0.00 0.01 0.00 0.00 55.36 55.78 3kqf s GLN 100 Cb 0.13 -2.35 -0.06 0.00 -1.01 0.00 0.00 33.01 29.71 3kqf s GLN 100 CO 0.66 0.01 1.39 -2.14 0.01 0.00 0.00 175.29 175.21 3kqf s PRO 101 N -3.50 3.33 -0.12 2.91 0.02 -1.26 -4.84 135.00 131.55 3kqf s PRO 101 Ca 0.54 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.89 3kqf s PRO 101 Cb -0.10 -2.40 0.01 0.00 0.02 0.00 0.00 34.50 32.03 3kqf s PRO 101 CO 0.25 -1.06 -0.18 0.08 -0.33 0.00 0.00 177.00 175.75 3kqf s VAL 102 N -1.26 1.73 -0.22 3.83 1.01 -1.26 -1.50 120.40 122.73 3kqf s VAL 102 Ca 0.68 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3kqf s VAL 102 Cb -0.42 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3kqf s VAL 102 CO 0.51 0.49 0.00 -0.63 0.00 0.00 0.00 175.10 175.47 3kqf s ILE 103 N 0.93 3.85 -0.00 2.22 1.01 0.47 -0.81 121.20 128.86 3kqf s ILE 103 Ca -0.07 -0.34 -0.27 0.00 0.00 0.00 0.00 60.65 59.97 3kqf s ILE 103 Cb -0.15 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3kqf s ILE 103 CO -0.02 0.40 0.86 0.00 0.00 0.00 0.00 174.94 176.19 3kqf s ALA 104 N 1.30 3.25 -0.43 9.38 0.00 -0.51 -0.92 121.76 133.84 3kqf s ALA 104 Ca 0.04 0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 3kqf s ALA 104 Cb -0.15 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 19.92 3kqf s ALA 104 CO 0.01 -0.13 0.20 0.00 0.00 0.00 0.00 175.76 175.84 3kqf s ALA 105 N 0.71 3.16 -0.66 0.00 0.00 0.22 -0.83 121.76 124.37 3kqf s ALA 105 Ca 0.45 -2.68 -0.23 0.00 0.00 0.00 0.00 51.96 49.50 3kqf s ALA 105 Cb -0.20 -2.32 0.07 0.00 0.00 0.00 0.00 23.12 20.67 3kqf s ALA 105 CO 0.24 -1.83 0.97 0.42 0.00 0.00 0.00 175.76 175.57 3kqf s ILE 106 N 0.83 4.31 -2.15 0.00 1.01 0.79 -4.26 121.20 121.73 3kqf s ILE 106 Ca 0.11 -0.34 0.27 0.00 0.00 0.00 0.00 60.65 60.69 3kqf s ILE 106 Cb -0.22 -4.69 0.40 0.00 0.01 0.00 0.00 42.46 37.97 3kqf s ILE 106 CO -0.05 -1.47 1.64 -0.46 0.00 0.00 0.00 174.94 174.61 3kqf n ASN 107 N 7.75 1.31 0.00 3.58 6.94 -1.26 -0.38 115.26 133.20 3kqf n ASN 107 Ca -0.04 -1.22 0.00 0.00 -0.02 0.00 0.00 54.58 53.30 3kqf n ASN 107 Cb 0.45 0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 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 1.26 1.41 3.67 4.83 0.00 -1.26 -4.36 105.19 110.74 3kqf n GLY 108 Ca 0.16 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 3kqf n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kqf n ILE 109 N 0.00 1.18 -3.62 -0.61 -5.35 -0.52 -3.76 119.36 106.68 3kqf n ILE 109 Ca 0.00 -0.30 -0.29 0.00 -0.27 0.00 0.00 62.75 61.89 3kqf n ILE 109 Cb 0.00 -1.47 -0.13 0.00 -1.74 0.00 0.00 39.64 36.31 3kqf n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqf s ALA 110 N -0.29 1.75 -0.04 -1.28 0.00 0.87 -0.97 121.76 121.79 3kqf s ALA 110 Ca 0.65 -2.36 0.06 0.00 0.00 0.00 0.00 51.96 50.31 3kqf s ALA 110 Cb -0.64 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 3kqf s ALA 110 CO 0.52 -2.08 -0.23 -0.51 0.00 0.00 0.00 175.76 173.47 3kqf s LEU 111 N 0.56 2.20 0.00 0.00 1.43 -0.73 -2.68 118.68 119.46 3kqf s LEU 111 Ca 0.18 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3kqf s LEU 111 Cb -0.23 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3kqf s LEU 111 CO -0.00 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.47 3kqf n GLY 112 N 2.67 2.99 0.38 -3.19 0.00 -0.03 -1.11 105.19 106.90 3kqf n GLY 112 Ca -0.17 0.22 0.20 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 1.09 -0.02 0.00 -1.88 0.06 103.07 102.32 3kqf h GLY 113 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3kqf h GLY 113 CO 0.00 0.00 -0.35 -1.33 0.00 0.00 0.00 176.54 174.86 3kqf h GLY 114 N 0.00 0.97 1.20 4.60 0.00 -1.23 -0.21 103.07 108.41 3kqf h GLY 114 Ca 0.21 -0.99 -0.15 0.00 0.00 0.00 0.00 47.33 46.40 3kqf h GLY 114 CO -0.00 0.89 -0.36 -0.84 0.00 0.00 0.00 176.54 176.23 3kqf h THR 115 N 0.70 1.28 -0.88 4.70 2.02 -1.18 -2.73 112.91 116.82 3kqf h THR 115 Ca 0.06 -1.53 0.05 0.00 0.77 0.00 0.00 66.41 65.76 3kqf h THR 115 Cb 0.95 1.37 -0.06 0.00 -1.74 0.00 0.00 68.15 68.66 3kqf h THR 115 CO 0.09 0.51 0.56 -0.33 0.37 0.00 0.00 175.52 176.72 3kqf h GLU 116 N 0.73 1.01 -0.68 6.66 5.08 -0.89 -1.40 114.58 125.09 3kqf h GLU 116 Ca 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kqf h GLU 116 Cb 0.93 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3kqf h GLU 116 CO 0.09 0.67 0.33 1.25 -1.00 0.00 0.00 179.01 180.35 3kqf h LEU 117 N 1.04 0.89 -1.18 1.33 5.85 -0.97 -2.34 115.31 119.92 3kqf h LEU 117 Ca 0.37 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3kqf h LEU 117 Cb 0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3kqf h LEU 117 CO -0.15 0.76 -0.31 0.77 -0.34 0.00 0.00 178.44 179.18 3kqf h SER 118 N 0.94 0.17 0.78 1.25 4.64 -1.08 -2.50 113.55 117.74 3kqf h SER 118 Ca 0.23 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 3kqf h SER 118 Cb 0.11 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3kqf h SER 118 CO -0.03 0.48 -0.37 -0.07 -0.87 0.00 0.00 176.83 175.97 3kqf h LEU 119 N 0.15 0.00 -0.61 5.97 3.38 -0.81 -2.73 115.31 120.67 3kqf h LEU 119 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kqf h LEU 119 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kqf h LEU 119 CO 0.05 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.94 3kqf h ALA 120 N 1.63 1.00 -2.24 1.53 0.00 -0.97 -3.44 119.26 116.77 3kqf h ALA 120 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 3kqf h ALA 120 Cb 0.86 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.67 3kqf h ALA 120 CO 0.05 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.62 3kqf h ASP 122 N 0.81 0.44 -5.31 0.00 3.32 -1.26 -3.47 116.42 110.95 3kqf h ASP 122 Ca -0.46 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.33 3kqf h ASP 122 Cb 1.19 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.54 3kqf h ASP 122 CO 0.62 0.46 -0.14 0.72 -1.72 0.00 0.00 179.24 179.17 3kqf s PHE 123 N -5.65 0.54 -0.01 4.55 -0.12 -1.19 -5.04 117.98 111.05 3kqf s PHE 123 Ca -0.13 -0.89 0.03 0.00 -0.05 0.00 0.00 56.93 55.89 3kqf s PHE 123 Cb 0.09 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 3kqf s PHE 123 CO 0.73 -1.04 -0.09 1.03 -0.05 0.00 0.00 175.22 175.81 3kqf s ARG 124 N -3.73 0.75 -0.12 1.99 0.52 -1.26 -1.42 118.95 115.69 3kqf s ARG 124 Ca 0.25 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 3kqf s ARG 124 Cb -0.00 -0.72 0.01 0.00 0.52 0.00 0.00 34.95 34.75 3kqf s ARG 124 CO 0.12 0.18 -0.20 0.42 0.02 0.00 0.00 175.30 175.84 3kqf s ILE 125 N -0.15 1.82 0.01 1.52 1.01 -0.01 -1.09 121.20 124.31 3kqf s ILE 125 Ca 0.03 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.90 3kqf s ILE 125 Cb -0.04 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 3kqf s ILE 125 CO -0.00 0.50 -0.20 0.00 0.00 0.00 0.00 174.94 175.24 3kqf s ALA 126 N 0.78 2.47 0.49 9.38 0.00 -0.07 -0.15 121.76 134.67 3kqf s ALA 126 Ca -0.09 -1.14 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 3kqf s ALA 126 Cb -0.16 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.18 3kqf s ALA 126 CO 0.00 0.55 1.19 0.00 0.00 0.00 0.00 175.76 177.51 3kqf s ALA 127 N -0.80 2.89 0.54 0.00 0.00 0.49 -1.45 121.76 123.43 3kqf s ALA 127 Ca 0.13 0.98 0.25 0.00 0.00 0.00 0.00 51.96 53.32 3kqf s ALA 127 Cb -0.10 -3.41 1.41 0.00 0.00 0.00 0.00 23.12 21.02 3kqf s ALA 127 CO 0.02 -0.80 2.00 0.93 0.00 0.00 0.00 175.76 177.92 3kqf h GLU 128 N 1.79 0.00 -0.04 0.00 5.08 -1.06 -0.39 114.58 119.96 3kqf h GLU 128 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3kqf h GLU 128 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3kqf h GLU 128 CO 0.59 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.47 3kqf n SER 129 N -4.32 1.78 -4.79 1.42 3.41 -1.26 -4.42 113.62 105.44 3kqf n SER 129 Ca 0.09 -1.61 -0.33 0.00 -0.26 0.00 0.00 58.87 56.76 3kqf n SER 129 Cb 0.59 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.96 2.68 0.01 7.33 0.00 -0.16 -4.80 121.76 124.86 3kqf s ALA 130 Ca 0.36 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.79 3kqf s ALA 130 Cb 0.20 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3kqf s ALA 130 CO 0.32 -0.90 -0.08 -1.54 0.00 0.00 0.00 175.76 173.56 3kqf s SER 131 N -2.68 0.93 0.28 0.00 1.04 -1.25 -1.79 113.70 110.23 3kqf s SER 131 Ca 0.65 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.87 3kqf s SER 131 Cb -0.17 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.82 3kqf s SER 131 CO 0.37 0.02 0.02 -0.76 0.98 0.00 0.00 173.24 173.87 3kqf s LEU 132 N -0.56 2.19 0.00 2.42 1.02 -0.20 -0.09 118.68 123.47 3kqf s LEU 132 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 52.86 3kqf s LEU 132 Cb -0.05 -0.35 0.00 0.00 0.02 0.00 0.00 46.19 45.81 3kqf s LEU 132 CO 0.00 -0.54 0.00 0.61 0.02 0.00 0.00 176.35 176.44 3kqf n GLY 133 N -0.55 3.33 3.21 -3.19 0.00 -1.09 -0.45 105.19 106.45 3kqf n GLY 133 Ca -0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 5.91 0.00 0.99 1.43 -1.26 -0.85 118.68 124.89 3kqf s LEU 134 Ca 0.00 -2.48 0.30 0.00 -1.03 0.00 0.00 54.13 50.93 3kqf s LEU 134 Cb 0.00 -2.03 1.48 0.00 0.03 0.00 0.00 46.19 45.67 3kqf s LEU 134 CO 0.00 -0.55 1.99 0.35 0.23 0.00 0.00 176.35 178.37 3kqf n THR 135 N 4.14 0.00 -0.28 5.49 -2.24 -1.26 -4.16 114.28 115.97 3kqf n THR 135 Ca 0.04 -0.12 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 3kqf n THR 135 Cb 0.42 -0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.86 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 1.17 0.14 0.00 -0.78 3.07 -1.89 -1.12 114.58 115.17 3kqf h GLU 136 Ca 0.00 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3kqf h GLU 136 Cb 0.25 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3kqf h GLU 136 CO 0.00 0.10 -0.09 1.79 -1.40 0.00 0.00 179.01 179.41 3kqf h THR 137 N 0.15 0.46 0.00 1.13 1.35 -1.72 -0.56 112.91 113.73 3kqf h THR 137 Ca 0.48 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3kqf h THR 137 Cb 0.89 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3kqf h THR 137 CO -0.67 0.09 0.00 0.35 -0.25 0.00 0.00 175.52 175.04 3kqf n THR 138 N -3.56 0.81 -0.26 6.82 -2.24 -0.42 -1.78 114.28 113.64 3kqf n THR 138 Ca -0.02 0.21 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 3kqf n THR 138 Cb 0.21 -1.15 0.22 0.00 -2.10 0.00 0.00 70.33 67.51 3kqf n THR 138 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqf n LEU 139 N -2.28 3.33 -2.61 3.22 4.77 -0.29 -4.97 117.00 118.17 3kqf n LEU 139 Ca 0.02 -2.02 -0.21 0.00 -0.03 0.00 0.00 56.01 53.77 3kqf n LEU 139 Cb 0.24 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3kqf n LEU 139 CO 0.20 0.82 -0.11 0.00 -1.33 0.00 0.00 177.39 176.98 3kqf n ALA 140 N 0.91 -0.78 -4.15 -1.18 0.00 -0.74 -5.01 120.51 109.56 3kqf n ALA 140 Ca 0.16 0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.65 3kqf n ALA 140 Cb 0.51 -3.05 -0.05 0.00 0.00 0.00 0.00 19.45 16.87 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 -4.27 0.00 -4.38 0.00 -5.35 -0.78 -5.00 119.36 99.57 3kqf n ILE 141 Ca -0.16 -1.57 -0.20 0.00 -0.27 0.00 0.00 62.75 60.55 3kqf n ILE 141 Cb 0.64 0.55 -0.10 0.00 -1.74 0.00 0.00 39.64 38.99 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 -2.54 1.65 0.03 7.28 -4.36 -1.26 -2.51 121.20 119.49 3kqf s ILE 142 Ca 0.13 -2.16 -0.30 0.00 -0.26 0.00 0.00 60.65 58.06 3kqf s ILE 142 Cb 0.01 -2.25 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 3kqf s ILE 142 CO 0.09 -0.44 1.93 -2.84 0.24 0.00 0.00 174.94 173.93 3kqf s PRO 143 N -3.70 4.15 0.00 0.37 0.02 -1.26 -4.85 135.00 129.73 3kqf s PRO 143 Ca 0.26 2.57 0.14 0.00 0.02 0.00 0.00 61.00 64.00 3kqf s PRO 143 Cb 0.02 -4.13 0.31 0.00 0.02 0.00 0.00 34.50 30.72 3kqf s PRO 143 CO 0.09 -0.94 1.22 0.41 -0.33 0.00 0.00 177.00 177.45 3kqf n GLY 144 N 4.49 1.86 2.34 0.52 0.00 -1.26 -4.41 105.19 108.73 3kqf n GLY 144 Ca 0.20 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 0.83 4.34 -0.12 4.61 0.00 -1.26 -4.68 120.51 124.23 3kqf n ALA 145 Ca 0.13 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.98 3kqf n ALA 145 Cb 0.45 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.59 0.74 0.36 0.00 0.00 -1.26 -4.86 105.19 99.57 3kqf n GLY 146 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.40 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 1.07 2.00 -0.02 0.00 -1.92 0.53 103.07 104.73 3kqf h GLY 147 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 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 0.82 0.00 0.00 4.70 1.35 -1.93 -2.82 112.91 115.03 3kqf h THR 148 Ca 0.34 -0.44 -0.36 0.00 -0.55 0.00 0.00 66.41 65.40 3kqf h THR 148 Cb 0.27 1.33 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 3kqf h THR 148 CO -0.12 0.00 -2.19 0.00 -0.25 0.00 0.00 175.52 172.96 3kqf n GLN 149 N -2.65 0.50 0.07 4.72 1.13 -0.33 -4.52 117.38 116.30 3kqf n GLN 149 Ca 0.02 0.22 -0.06 0.00 -1.94 0.00 0.00 57.00 55.24 3kqf n GLN 149 Cb 0.31 -1.34 0.11 0.00 0.11 0.00 0.00 30.24 29.43 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 -0.86 0.29 0.11 -1.09 3.08 -0.12 -3.07 114.38 112.73 3kqf h ARG 150 Ca -0.55 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.30 3kqf h ARG 150 Cb 1.46 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.54 3kqf h ARG 150 CO -0.33 0.79 -0.05 1.25 -1.07 0.00 0.00 179.97 180.56 3kqf h LEU 151 N 0.22 -0.13 -1.56 3.04 5.85 -1.66 -2.31 115.31 118.76 3kqf h LEU 151 Ca -0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 3kqf h LEU 151 Cb 1.09 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3kqf h LEU 151 CO 0.09 0.17 -0.22 1.55 -0.34 0.00 0.00 178.44 179.69 3kqf h PRO 152 N -0.44 0.00 -0.17 5.25 0.13 -1.78 -1.07 132.00 133.93 3kqf h PRO 152 Ca -0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 3kqf h PRO 152 Cb 0.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 3kqf h PRO 152 CO 0.03 0.22 -0.21 0.00 -0.23 0.00 0.00 178.00 177.80 3kqf h ARG 153 N 0.00 0.29 0.11 0.86 3.08 -1.47 0.63 114.38 117.88 3kqf h ARG 153 Ca -0.00 -0.09 -0.25 0.00 0.07 0.00 0.00 59.98 59.71 3kqf h ARG 153 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kqf h ARG 153 CO 0.03 0.50 -1.25 1.25 -1.07 0.00 0.00 179.97 179.43 3kqf h LEU 154 N 0.27 0.37 -1.88 3.04 5.85 -0.76 -3.41 115.31 118.78 3kqf h LEU 154 Ca 0.05 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.91 3kqf h LEU 154 Cb 0.53 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3kqf h LEU 154 CO 0.04 1.55 0.00 2.30 -0.34 0.00 0.00 178.44 181.99 3kqf n ILE 155 N -4.01 0.40 0.00 4.05 -5.35 -0.48 -4.90 119.36 109.08 3kqf n ILE 155 Ca -0.23 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 3kqf n ILE 155 Cb 0.86 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 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 0.08 1.25 0.30 3.28 0.00 0.21 -4.57 105.19 105.74 3kqf n GLY 156 Ca 0.03 -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 1.23 0.27 1.61 3.04 -1.91 -2.48 116.25 118.02 3kqf h VAL 157 Ca 0.00 -0.88 -0.01 0.00 -1.01 0.00 0.00 66.70 64.79 3kqf h VAL 157 Cb 0.00 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 3kqf h VAL 157 CO 0.00 0.32 -0.13 1.23 -1.01 0.00 0.00 177.57 177.98 3kqf h GLY 158 N 0.98 -0.39 1.01 3.17 0.00 -1.94 -0.37 103.07 105.53 3kqf h GLY 158 Ca 0.17 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 3kqf h GLY 158 CO 0.01 -0.14 0.19 -0.09 0.00 0.00 0.00 176.54 176.50 3kqf h ARG 159 N -0.54 0.94 -0.88 4.80 9.65 -1.80 -2.50 114.38 124.05 3kqf h ARG 159 Ca -0.04 -0.21 0.02 0.00 -1.10 0.00 0.00 59.98 58.66 3kqf h ARG 159 Cb 0.40 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 3kqf h ARG 159 CO 0.06 0.84 0.58 0.00 2.80 0.00 0.00 179.97 184.25 3kqf h ALA 160 N 1.06 1.14 -0.26 2.80 0.00 -1.35 -1.92 119.26 120.73 3kqf h ALA 160 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kqf h ALA 160 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kqf h ALA 160 CO -0.01 0.48 0.04 0.87 0.00 0.00 0.00 179.25 180.63 3kqf h LYS 161 N 1.16 0.44 -0.77 0.00 1.57 -0.90 -1.19 116.57 116.87 3kqf h LYS 161 Ca 0.33 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3kqf h LYS 161 Cb -0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3kqf h LYS 161 CO -0.09 0.57 0.28 1.05 -0.57 0.00 0.00 179.45 180.69 3kqf h GLU 162 N 0.24 1.17 -0.27 3.15 -0.00 -1.22 0.96 114.58 118.61 3kqf h GLU 162 Ca 0.08 -0.23 -0.03 0.00 -0.00 0.00 0.00 59.36 59.18 3kqf h GLU 162 Cb 0.35 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 3kqf h GLU 162 CO 0.01 0.97 0.04 -0.07 -0.00 0.00 0.00 179.01 179.95 3kqf h LEU 163 N 1.14 0.44 -0.28 3.06 3.38 -1.28 -2.14 115.31 119.63 3kqf h LEU 163 Ca 0.25 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 3kqf h LEU 163 Cb 0.25 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kqf h LEU 163 CO -0.02 0.60 -0.47 0.40 0.09 0.00 0.00 178.44 179.05 3kqf h ILE 164 N 0.27 1.29 -0.41 1.22 2.04 -1.05 0.17 117.51 121.02 3kqf h ILE 164 Ca 0.08 -1.66 -0.15 0.00 1.00 0.00 0.00 64.86 64.14 3kqf h ILE 164 Cb 0.35 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3kqf h ILE 164 CO 0.01 0.54 -0.33 1.88 0.00 0.00 0.00 178.15 180.25 3kqf h TYR 165 N 0.57 1.10 0.02 1.37 0.05 -0.84 -3.16 116.97 116.09 3kqf h TYR 165 Ca 0.02 -0.31 -0.23 0.00 0.05 0.00 0.00 58.73 58.26 3kqf h TYR 165 Cb 1.07 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 3kqf h TYR 165 CO 0.08 1.13 -1.16 1.79 -1.05 0.00 0.00 178.16 178.94 3kqf h THR 166 N 0.78 1.54 -1.62 -2.88 1.35 -1.43 -3.47 112.91 107.18 3kqf h THR 166 Ca 0.08 -3.25 -0.30 0.00 -0.55 0.00 0.00 66.41 62.39 3kqf h THR 166 Cb 0.91 2.80 -0.05 0.00 -1.73 0.00 0.00 68.15 70.08 3kqf h THR 166 CO 0.08 0.89 -0.34 0.61 -0.25 0.00 0.00 175.52 176.51 3kqf n GLY 167 N 1.42 0.38 3.82 5.82 0.00 0.58 -4.81 105.19 112.40 3kqf n GLY 167 Ca -0.04 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.21 3.73 0.03 1.61 1.70 -1.23 -4.30 118.95 116.27 3kqf s ARG 168 Ca 0.00 1.14 -0.15 0.00 -0.47 0.00 0.00 55.73 56.25 3kqf s ARG 168 Cb 0.00 -2.10 -0.06 0.00 -0.57 0.00 0.00 34.95 32.22 3kqf s ARG 168 CO 0.00 -0.47 0.45 1.03 -1.08 0.00 0.00 175.30 175.23 3kqf s ARG 169 N -3.81 3.97 0.16 3.89 0.52 -1.26 -4.42 118.95 117.99 3kqf s ARG 169 Ca 0.63 0.48 0.08 0.00 -0.52 0.00 0.00 55.73 56.39 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 0.29 0.66 -0.17 0.96 0.02 0.00 0.00 175.30 177.06 3kqf s ILE 170 N -1.13 1.73 0.79 1.52 -4.36 0.41 -4.95 121.20 115.21 3kqf s ILE 170 Ca 0.26 -1.88 -0.12 0.00 -0.26 0.00 0.00 60.65 58.65 3kqf s ILE 170 Cb -0.17 -1.79 0.07 0.00 1.25 0.00 0.00 42.46 41.82 3kqf s ILE 170 CO 0.15 -0.33 1.12 -0.94 0.24 0.00 0.00 174.94 175.18 3kqf s SER 171 N -2.63 4.61 0.30 4.36 1.04 -1.26 -1.03 113.70 119.10 3kqf s SER 171 Ca 0.15 1.06 -0.02 0.00 0.48 0.00 0.00 55.95 57.62 3kqf s SER 171 Cb -0.05 -1.72 0.46 0.00 0.10 0.00 0.00 66.02 64.80 3kqf s SER 171 CO 0.06 -1.86 1.97 0.00 0.98 0.00 0.00 173.24 174.39 3kqf h ALA 172 N -1.02 1.42 -0.11 5.32 0.00 -1.56 -0.72 119.26 122.59 3kqf h ALA 172 Ca -0.47 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 3kqf h ALA 172 Cb 1.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3kqf h ALA 172 CO 0.63 0.53 -0.52 1.96 0.00 0.00 0.00 179.25 181.86 3kqf h GLN 173 N 1.10 0.31 -0.32 0.00 1.08 -1.88 -0.06 115.11 115.34 3kqf h GLN 173 Ca 0.30 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 3kqf h GLN 173 Cb -0.12 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3kqf h GLN 173 CO -0.07 0.75 -0.08 0.93 -0.95 0.00 0.00 178.83 179.41 3kqf h GLU 174 N 0.24 0.62 -0.91 1.46 5.08 -1.84 -1.23 114.58 118.00 3kqf h GLU 174 Ca 0.01 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3kqf h GLU 174 Cb 0.99 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 3kqf h GLU 174 CO 0.08 0.81 0.57 0.00 -1.00 0.00 0.00 179.01 179.47 3kqf h ALA 175 N 0.80 1.27 -0.40 3.43 0.00 -0.87 -0.09 119.26 123.41 3kqf h ALA 175 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kqf h ALA 175 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kqf h ALA 175 CO 0.03 0.30 -0.03 -0.22 0.00 0.00 0.00 179.25 179.33 3kqf h LYS 176 N 1.01 0.72 -0.83 0.00 3.64 -0.87 0.01 116.57 120.25 3kqf h LYS 176 Ca 0.41 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3kqf h LYS 176 Cb 0.22 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3kqf h LYS 176 CO -0.19 0.83 0.55 1.49 -2.27 0.00 0.00 179.45 179.85 3kqf h GLU 177 N 0.54 0.99 0.00 1.90 4.81 -0.22 -2.43 114.58 120.17 3kqf h GLU 177 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3kqf h GLU 177 Cb 0.52 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3kqf h GLU 177 CO 0.03 0.65 -0.10 0.66 -0.73 0.00 0.00 179.01 179.52 3kqf n TYR 178 N -4.45 0.01 -0.73 0.92 4.01 -0.14 -4.92 117.16 111.86 3kqf n TYR 178 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3kqf n TYR 178 Cb 0.13 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 1.50 0.62 0.14 2.72 0.00 -0.84 -4.76 105.19 104.57 3kqf n GLY 179 Ca 0.07 -0.14 -0.10 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 0.36 -8.63 0.99 5.85 -1.26 -3.44 115.31 109.17 3kqf h LEU 180 Ca 0.00 -0.28 -0.61 0.00 0.84 0.00 0.00 57.88 57.83 3kqf h LEU 180 Cb 0.00 -0.11 -0.25 0.00 0.37 0.00 0.00 40.66 40.67 3kqf h LEU 180 CO 0.00 1.06 -0.85 0.68 -0.34 0.00 0.00 178.44 178.99 3kqf s VAL 181 N -3.32 1.83 -0.11 1.05 -7.23 -1.13 -4.80 120.40 106.69 3kqf s VAL 181 Ca -0.04 -1.33 0.16 0.00 -1.81 0.00 0.00 61.98 58.97 3kqf s VAL 181 Cb 0.10 -1.59 -0.16 0.00 0.56 0.00 0.00 36.38 35.29 3kqf s VAL 181 CO 0.84 0.20 0.76 -0.62 -0.31 0.00 0.00 175.10 175.98 3kqf n GLU 182 N 1.67 0.63 -3.94 4.82 4.71 -0.25 -4.32 120.64 123.95 3kqf n GLU 182 Ca -0.17 0.22 -0.10 0.00 -0.01 0.00 0.00 57.16 57.10 3kqf n GLU 182 Cb 0.53 -1.79 -0.12 0.00 -1.01 0.00 0.00 31.44 29.05 3kqf n GLU 182 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3kqf s PHE 183 N -2.87 0.18 -0.06 -0.32 0.08 -1.00 -5.03 117.98 108.96 3kqf s PHE 183 Ca -0.04 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.68 3kqf s PHE 183 Cb 0.09 -0.13 0.02 0.00 -0.57 0.00 0.00 43.02 42.42 3kqf s PHE 183 CO 0.82 -0.14 -0.10 0.08 -0.10 0.00 0.00 175.22 175.77 3kqf s VAL 184 N -1.05 0.97 0.06 -0.44 1.01 -1.26 -0.89 120.40 118.80 3kqf s VAL 184 Ca -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3kqf s VAL 184 Cb -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3kqf s VAL 184 CO -0.01 0.32 0.04 0.68 0.00 0.00 0.00 175.10 176.14 3kqf s VAL 185 N 0.73 0.19 0.54 2.92 -7.23 -0.53 -4.92 120.40 112.10 3kqf s VAL 185 Ca -0.14 -1.59 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 3kqf s VAL 185 Cb -0.15 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 3kqf s VAL 185 CO 0.03 -0.88 1.31 -2.65 -0.31 0.00 0.00 175.10 172.60 3kqf n PRO 186 N 0.07 1.62 -0.26 4.82 -0.02 -1.26 -0.47 135.00 139.50 3kqf n PRO 186 Ca -0.14 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3kqf n PRO 186 Cb 0.61 -2.51 0.34 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.39 0.93 0.00 -1.45 3.04 -1.92 -0.67 116.25 117.56 3kqf h VAL 187 Ca -0.50 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 3kqf h VAL 187 Cb 1.31 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 3kqf h VAL 187 CO 0.57 0.14 0.00 0.00 -1.01 0.00 0.00 177.57 177.27 3kqf n HIS 188 N -4.53 0.84 0.16 3.17 1.44 -1.26 -2.33 115.22 112.71 3kqf n HIS 188 Ca 0.15 0.35 0.06 0.00 -2.01 0.00 0.00 57.72 56.27 3kqf n HIS 188 Cb 0.36 -1.06 0.11 0.00 0.12 0.00 0.00 29.99 29.52 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 -2.28 2.53 0.03 2.39 4.77 -0.29 -4.74 117.00 119.41 3kqf n LEU 189 Ca 0.01 -1.50 -0.12 0.00 -0.03 0.00 0.00 56.01 54.37 3kqf n LEU 189 Cb 0.20 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 3kqf n LEU 189 CO 0.18 0.57 0.86 0.25 -1.33 0.00 0.00 177.39 177.93 3kqf h LEU 190 N 2.33 0.01 -0.64 2.23 5.85 -1.15 -1.01 115.31 122.94 3kqf h LEU 190 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kqf h LEU 190 Cb 0.64 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3kqf h LEU 190 CO 0.00 0.03 0.34 -0.08 -0.34 0.00 0.00 178.44 178.40 3kqf h GLU 191 N -0.01 0.89 -0.54 1.25 4.81 -1.85 -1.27 114.58 117.86 3kqf h GLU 191 Ca 0.00 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3kqf h GLU 191 Cb 0.02 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3kqf h GLU 191 CO -0.00 0.68 0.20 1.49 -0.73 0.00 0.00 179.01 180.65 3kqf h GLU 192 N 0.87 0.81 -0.20 1.92 4.81 -1.83 -1.34 114.58 119.61 3kqf h GLU 192 Ca 0.22 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kqf h GLU 192 Cb 0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kqf h GLU 192 CO -0.03 0.72 0.11 -0.22 -0.73 0.00 0.00 179.01 178.86 3kqf h LYS 193 N 0.73 0.28 -0.36 1.92 1.63 -0.90 -0.16 116.57 119.71 3kqf h LYS 193 Ca 0.18 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3kqf h LYS 193 Cb 0.23 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3kqf h LYS 193 CO -0.01 0.26 0.22 0.00 -3.45 0.00 0.00 179.45 176.47 3kqf h ALA 194 N 1.00 0.45 -0.56 5.00 0.00 -1.11 -1.50 119.26 122.54 3kqf h ALA 194 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kqf h ALA 194 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kqf h ALA 194 CO -0.01 -0.12 0.26 0.82 0.00 0.00 0.00 179.25 180.20 3kqf h ILE 195 N 0.45 1.21 -0.43 0.00 2.04 -1.12 -0.57 117.51 119.08 3kqf h ILE 195 Ca 0.14 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.42 3kqf h ILE 195 Cb -0.02 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3kqf h ILE 195 CO -0.05 0.24 0.23 -0.33 0.00 0.00 0.00 178.15 178.24 3kqf h GLU 196 N 0.75 0.46 -0.46 2.37 5.08 -0.74 0.21 114.58 122.26 3kqf h GLU 196 Ca 0.19 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3kqf h GLU 196 Cb 0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3kqf h GLU 196 CO -0.02 0.30 -0.11 0.82 -1.00 0.00 0.00 179.01 179.00 3kqf h ILE 197 N 0.47 1.27 -0.71 3.13 2.04 -1.16 -1.96 117.51 120.60 3kqf h ILE 197 Ca 0.18 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3kqf h ILE 197 Cb 0.05 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3kqf h ILE 197 CO -0.10 0.42 0.47 0.00 0.00 0.00 0.00 178.15 178.94 3kqf h ALA 198 N 0.88 0.90 -0.51 1.87 0.00 -0.77 -1.42 119.26 120.21 3kqf h ALA 198 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kqf h ALA 198 Cb 0.66 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3kqf h ALA 198 CO 0.05 0.33 0.17 0.93 0.00 0.00 0.00 179.25 180.72 3kqf h GLU 199 N 0.96 0.75 -0.15 0.00 5.08 -0.38 0.12 114.58 120.95 3kqf h GLU 199 Ca 0.26 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3kqf h GLU 199 Cb -0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3kqf h GLU 199 CO -0.06 0.64 0.02 -0.22 -1.00 0.00 0.00 179.01 178.39 3kqf h LYS 200 N 0.73 0.25 -0.75 2.33 3.64 -0.79 -1.87 116.57 120.10 3kqf h LYS 200 Ca 0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3kqf h LYS 200 Cb 0.20 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3kqf h LYS 200 CO -0.01 0.45 0.41 0.82 -2.27 0.00 0.00 179.45 178.84 3kqf h ILE 201 N 0.01 1.23 0.00 2.00 2.04 -0.93 -2.28 117.51 119.58 3kqf h ILE 201 Ca 0.04 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3kqf h ILE 201 Cb 0.32 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3kqf h ILE 201 CO 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 178.15 178.33 3kqf h ALA 202 N 1.21 1.63 0.00 1.87 0.00 -0.62 -1.60 119.26 121.75 3kqf h ALA 202 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kqf h ALA 202 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kqf h ALA 202 CO -0.04 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 3kqf n SER 203 N -4.09 0.59 -4.90 0.00 3.41 -0.72 -4.85 113.62 103.06 3kqf n SER 203 Ca -0.03 0.56 -0.28 0.00 -0.26 0.00 0.00 58.87 58.86 3kqf n SER 203 Cb 0.16 -0.72 0.06 0.00 -0.26 0.00 0.00 64.21 63.46 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 -4.11 5.00 -0.04 4.04 0.01 -0.60 -4.76 114.94 114.47 3kqf s ASN 204 Ca 0.11 0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 52.76 3kqf s ASN 204 Cb 0.14 -1.48 -0.08 0.00 0.41 0.00 0.00 41.25 40.24 3kqf s ASN 204 CO 0.57 -1.55 1.98 -0.83 -1.51 0.00 0.00 177.10 175.75 3kqf s GLY 205 N -4.46 1.25 0.31 0.66 0.00 -1.26 -4.89 107.32 98.93 3kqf s GLY 205 Ca 0.59 1.14 0.03 0.00 0.00 0.00 0.00 44.72 46.48 3kqf s GLY 205 CO 0.48 3.48 1.83 -0.56 0.00 0.00 0.00 173.10 178.34 3kqf h PRO 206 N 11.44 0.59 -0.48 2.90 0.13 -1.91 0.58 132.00 145.24 3kqf h PRO 206 Ca -0.46 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.44 3kqf h PRO 206 Cb 1.23 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3kqf h PRO 206 CO 0.95 0.63 -0.04 0.82 -0.23 0.00 0.00 178.00 180.13 3kqf h ILE 207 N 0.56 1.27 -0.55 -3.56 2.04 -1.92 -1.50 117.51 113.85 3kqf h ILE 207 Ca 0.12 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 3kqf h ILE 207 Cb 0.38 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3kqf h ILE 207 CO 0.02 0.39 0.04 0.00 0.00 0.00 0.00 178.15 178.60 3kqf h ALA 208 N 0.91 0.73 -0.35 1.87 0.00 -1.82 -0.65 119.26 119.96 3kqf h ALA 208 Ca 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3kqf h ALA 208 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kqf h ALA 208 CO 0.03 0.52 0.02 0.28 0.00 0.00 0.00 179.25 180.10 3kqf h VAL 209 N 0.82 1.25 -0.48 0.00 2.07 -0.82 0.26 116.25 119.35 3kqf h VAL 209 Ca 0.16 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3kqf h VAL 209 Cb 0.48 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3kqf h VAL 209 CO 0.02 0.31 0.27 0.03 0.02 0.00 0.00 177.57 178.21 3kqf h ARG 210 N 0.43 0.67 -0.49 1.57 3.08 -1.11 -1.18 114.38 117.34 3kqf h ARG 210 Ca 0.10 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3kqf h ARG 210 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3kqf h ARG 210 CO 0.01 0.52 0.12 -0.07 -1.07 0.00 0.00 179.97 179.48 3kqf h LEU 211 N 0.63 0.68 -0.51 3.04 3.38 -0.95 -1.64 115.31 119.95 3kqf h LEU 211 Ca 0.17 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3kqf h LEU 211 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kqf h LEU 211 CO -0.03 0.68 0.08 0.00 0.09 0.00 0.00 178.44 179.26 3kqf h ALA 212 N 1.42 0.68 -0.40 1.53 0.00 -0.56 0.33 119.26 122.26 3kqf h ALA 212 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kqf h ALA 212 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kqf h ALA 212 CO -0.00 0.42 0.23 -0.22 0.00 0.00 0.00 179.25 179.67 3kqf h LYS 213 N 0.72 0.55 -0.37 0.00 3.64 -0.91 -0.78 116.57 119.43 3kqf h LYS 213 Ca 0.15 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3kqf h LYS 213 Cb 0.41 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3kqf h LYS 213 CO 0.01 0.43 0.17 0.93 -2.27 0.00 0.00 179.45 178.72 3kqf h GLU 214 N 0.51 0.54 -0.42 1.90 5.08 -1.14 -0.93 114.58 120.12 3kqf h GLU 214 Ca 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3kqf h GLU 214 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3kqf h GLU 214 CO -0.02 0.49 0.19 0.00 -1.00 0.00 0.00 179.01 178.67 3kqf h ALA 215 N 1.02 0.55 0.08 3.43 0.00 -0.69 -1.81 119.26 121.83 3kqf h ALA 215 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kqf h ALA 215 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kqf h ALA 215 CO -0.01 0.12 -0.04 0.82 0.00 0.00 0.00 179.25 180.14 3kqf h ILE 216 N 0.54 1.16 -0.44 0.00 2.04 -1.12 0.82 117.51 120.51 3kqf h ILE 216 Ca 0.14 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3kqf h ILE 216 Cb 0.14 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3kqf h ILE 216 CO -0.02 0.22 0.07 0.28 0.00 0.00 0.00 178.15 178.71 3kqf h SER 217 N -0.52 0.63 0.14 1.72 0.02 -1.16 -1.93 113.55 112.44 3kqf h SER 217 Ca -0.01 -0.11 -0.36 0.00 -0.84 0.00 0.00 61.79 60.47 3kqf h SER 217 Cb 0.44 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3kqf h SER 217 CO 0.02 0.65 -2.08 0.59 -1.14 0.00 0.00 176.83 174.87 3kqf n ASN 218 N -4.28 1.88 -0.17 3.07 3.02 -0.68 -4.36 115.26 113.73 3kqf n ASN 218 Ca 0.03 0.15 -0.01 0.00 -0.03 0.00 0.00 54.58 54.72 3kqf n ASN 218 Cb 0.23 -0.61 0.23 0.00 -0.61 0.00 0.00 39.78 39.02 3kqf n ASN 218 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3kqf h GLY 219 N 1.67 0.97 2.00 7.41 0.00 -0.76 -2.27 103.07 112.09 3kqf h GLY 219 Ca -0.44 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.45 3kqf h GLY 219 CO 0.05 0.42 0.00 1.19 0.00 0.00 0.00 176.54 178.20 3kqf h ILE 220 N 0.91 0.00 -0.00 2.60 6.09 -1.53 -2.78 117.51 122.80 3kqf h ILE 220 Ca 0.23 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 3kqf h ILE 220 Cb 0.05 1.06 0.00 0.00 0.47 0.00 0.00 36.82 38.40 3kqf h ILE 220 CO -0.04 0.00 -0.07 0.00 -3.07 0.00 0.00 178.15 174.97 3kqf n GLN 221 N -2.60 0.19 -2.11 2.19 1.13 -0.85 -4.91 117.38 110.41 3kqf n GLN 221 Ca 0.00 -0.03 -0.01 0.00 -1.94 0.00 0.00 57.00 55.02 3kqf n GLN 221 Cb 0.20 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.05 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 -1.38 0.00 -2.10 5.09 0.24 -1.05 -5.14 118.33 113.99 3kqf n VAL 222 Ca 0.10 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.34 61.95 3kqf n VAL 222 Cb 0.31 0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.12 5.69 0.19 -1.34 -4.77 -1.26 -4.85 116.67 109.20 3kqf s ASP 223 Ca 0.01 1.96 -0.13 0.00 -3.30 0.00 0.00 52.55 51.09 3kqf s ASP 223 Cb 0.00 -2.55 0.19 0.00 -1.09 0.00 0.00 42.92 39.46 3kqf s ASP 223 CO 0.01 -1.23 1.73 0.25 0.70 0.00 0.00 175.17 176.63 3kqf h LEU 224 N 0.69 0.09 -0.17 2.11 5.85 -1.98 -1.02 115.31 120.88 3kqf h LEU 224 Ca -0.48 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.36 3kqf h LEU 224 Cb 1.24 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 3kqf h LEU 224 CO 0.57 0.08 -0.09 -0.74 -0.34 0.00 0.00 178.44 177.92 3kqf h HIS 225 N 0.29 -0.21 -0.75 1.25 2.76 -1.98 0.73 115.15 117.24 3kqf h HIS 225 Ca 0.25 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.40 3kqf h HIS 225 Cb 0.30 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 3kqf h HIS 225 CO -0.19 -0.14 0.33 1.15 -1.30 0.00 0.00 177.93 177.78 3kqf h THR 226 N -0.07 1.25 -1.00 6.26 2.02 -1.89 -2.61 112.91 116.87 3kqf h THR 226 Ca 0.10 -0.74 0.06 0.00 0.77 0.00 0.00 66.41 66.60 3kqf h THR 226 Cb 0.22 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 3kqf h THR 226 CO -0.22 0.31 0.64 1.23 0.37 0.00 0.00 175.52 177.85 3kqf h GLY 227 N 1.07 1.51 1.55 2.16 0.00 -0.49 -1.42 103.07 107.44 3kqf h GLY 227 Ca 0.25 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3kqf h GLY 227 CO -0.03 0.35 -0.02 1.41 0.00 0.00 0.00 176.54 178.25 3kqf h LEU 228 N 1.18 0.53 -2.21 3.11 3.38 -0.55 -1.61 115.31 119.14 3kqf h LEU 228 Ca 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3kqf h LEU 228 Cb 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kqf h LEU 228 CO -0.16 0.62 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3kqf n GLN 229 N -4.25 0.56 0.00 1.13 1.13 -0.54 -1.57 117.38 113.84 3kqf n GLN 229 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3kqf n GLN 229 Cb 0.27 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.40 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 0.87 0.00 -0.16 -1.09 2.13 -0.61 -2.26 120.64 119.52 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 0.28 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.06 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 0.17 -0.64 5.31 3.64 -1.56 0.15 116.57 123.63 3kqf h LYS 232 Ca 0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3kqf h LYS 232 Cb 0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3kqf h LYS 232 CO 0.00 0.11 0.04 -0.56 -2.27 0.00 0.00 179.45 176.77 3kqf h GLN 233 N 0.17 1.10 -0.68 1.90 3.07 -1.74 -2.87 115.11 116.07 3kqf h GLN 233 Ca 0.26 -0.33 -0.05 0.00 0.09 0.00 0.00 58.65 58.62 3kqf h GLN 233 Cb 0.37 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 27.79 3kqf h GLN 233 CO -0.38 1.05 0.22 0.00 0.09 0.00 0.00 178.83 179.80 3kqf h ALA 234 N 1.02 1.11 -0.43 0.06 0.00 -1.65 -2.42 119.26 116.94 3kqf h ALA 234 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kqf h ALA 234 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kqf h ALA 234 CO 0.02 0.61 0.17 -0.92 0.00 0.00 0.00 179.25 179.14 3kqf h TYR 235 N 1.00 0.61 0.00 0.00 3.20 -0.53 0.13 116.97 121.37 3kqf h TYR 235 Ca 0.22 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3kqf h TYR 235 Cb 0.27 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 3kqf h TYR 235 CO 0.02 0.48 -0.05 0.93 -1.64 0.00 0.00 178.16 177.90 3kqf h GLU 236 N 0.61 0.00 0.00 1.82 4.39 -1.23 -1.17 114.58 119.00 3kqf h GLU 236 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3kqf h GLU 236 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3kqf h GLU 236 CO -0.02 0.05 0.00 0.78 -1.16 0.00 0.00 179.01 178.66 3kqf h GLY 237 N 0.36 0.00 0.00 -3.84 0.00 -0.68 -3.30 103.07 95.61 3kqf h GLY 237 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3kqf h GLY 237 CO 0.01 0.00 -1.75 3.33 0.00 0.00 0.00 176.54 178.13 3kqf n VAL 238 N -2.50 0.59 -0.31 4.60 0.24 -0.49 -4.68 118.33 115.77 3kqf n VAL 238 Ca 0.02 -0.44 0.14 0.00 -2.04 0.00 0.00 64.34 62.02 3kqf n VAL 238 Cb 0.30 -0.44 0.32 0.00 -1.47 0.00 0.00 33.84 32.54 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 0.51 -0.65 1.34 2.04 -1.51 -2.45 117.51 116.79 3kqf h ILE 239 Ca -0.23 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3kqf h ILE 239 Cb 1.42 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3kqf h ILE 239 CO 0.01 0.09 0.00 1.41 0.00 0.00 0.00 178.15 179.66 3kqf n HIS 240 N -4.99 0.86 -2.11 1.37 8.25 -1.26 -4.94 115.22 112.40 3kqf n HIS 240 Ca 0.23 -0.43 -0.32 0.00 -0.26 0.00 0.00 57.72 56.93 3kqf n HIS 240 Cb 0.65 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.76 3kqf n HIS 240 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kqf s THR 241 N -1.13 4.12 0.23 1.59 -4.23 -0.92 -4.95 115.64 110.35 3kqf s THR 241 Ca 0.47 0.96 0.04 0.00 -1.18 0.00 0.00 61.69 61.98 3kqf s THR 241 Cb 0.25 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 3kqf s THR 241 CO 0.33 -0.64 1.55 0.11 -0.54 0.00 0.00 174.62 175.44 3kqf h LYS 242 N 0.45 0.23 -1.01 3.99 1.57 -1.16 -3.06 116.57 117.58 3kqf h LYS 242 Ca -0.46 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.17 3kqf h LYS 242 Cb 1.21 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 3kqf h LYS 242 CO 0.59 0.78 0.67 -0.44 -0.57 0.00 0.00 179.45 180.47 3kqf h ASP 243 N 0.17 1.16 -0.93 0.86 3.32 -1.93 -0.36 116.42 118.71 3kqf h ASP 243 Ca -0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kqf h ASP 243 Cb 1.13 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 40.35 3kqf h ASP 243 CO 0.10 0.83 0.59 -0.09 -1.72 0.00 0.00 179.24 178.95 3kqf h ARG 244 N 1.36 1.24 -0.53 3.56 2.43 -1.79 0.20 114.38 120.85 3kqf h ARG 244 Ca 0.37 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 3kqf h ARG 244 Cb -0.15 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.11 3kqf h ARG 244 CO -0.08 0.84 0.09 -0.07 -1.51 0.00 0.00 179.97 179.24 3kqf h LEU 245 N 1.27 0.84 -0.88 3.80 3.38 -1.29 -2.12 115.31 120.31 3kqf h LEU 245 Ca 0.34 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kqf h LEU 245 Cb -0.11 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 3kqf h LEU 245 CO -0.07 0.89 0.58 -0.08 0.09 0.00 0.00 178.44 179.85 3kqf h GLU 246 N 0.77 1.13 -0.64 1.13 4.57 -0.36 -1.63 114.58 119.55 3kqf h GLU 246 Ca 0.16 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3kqf h GLU 246 Cb 0.40 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 3kqf h GLU 246 CO 0.01 0.75 0.40 0.78 -1.18 0.00 0.00 179.01 179.77 3kqf h GLY 247 N 1.17 0.92 0.91 1.92 0.00 -0.60 0.21 103.07 107.59 3kqf h GLY 247 Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3kqf h GLY 247 CO -0.09 0.25 0.05 1.41 0.00 0.00 0.00 176.54 178.17 3kqf h LEU 248 N 0.78 0.56 -0.54 3.11 3.38 -1.06 -2.18 115.31 119.36 3kqf h LEU 248 Ca 0.26 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3kqf h LEU 248 Cb 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3kqf h LEU 248 CO -0.10 0.69 -0.42 -0.61 0.09 0.00 0.00 178.44 178.08 3kqf h GLN 249 N 0.42 0.71 -0.80 1.13 4.15 -0.97 -1.70 115.11 118.05 3kqf h GLN 249 Ca 0.11 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 3kqf h GLN 249 Cb 0.37 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 3kqf h GLN 249 CO 0.01 1.00 0.40 0.00 -1.93 0.00 0.00 178.83 178.30 3kqf h ALA 250 N 0.95 1.03 -0.49 3.38 0.00 -0.53 -0.29 119.26 123.30 3kqf h ALA 250 Ca 0.04 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3kqf h ALA 250 Cb 0.97 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kqf h ALA 250 CO 0.09 0.58 -0.05 0.35 0.00 0.00 0.00 179.25 180.22 3kqf h PHE 251 N 1.13 0.94 -0.45 0.00 3.57 -1.21 0.14 116.94 121.05 3kqf h PHE 251 Ca 0.28 -0.16 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3kqf h PHE 251 Cb 0.09 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3kqf h PHE 251 CO 0.01 0.88 -0.16 -0.22 -2.23 0.00 0.00 178.31 176.58 3kqf h LYS 252 N 0.79 0.91 -0.10 1.11 3.64 -0.87 -3.03 116.57 119.01 3kqf h LYS 252 Ca 0.14 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3kqf h LYS 252 Cb 0.54 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3kqf h LYS 252 CO 0.03 1.03 0.00 0.39 -2.27 0.00 0.00 179.45 178.63 3kqf n GLU 253 N -4.21 1.59 -3.96 1.90 1.02 -0.16 -4.95 120.64 111.87 3kqf n GLU 253 Ca -0.00 -0.88 -0.26 0.00 -0.02 0.00 0.00 57.16 55.99 3kqf n GLU 253 Cb 0.42 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.09 -3.50 -4.42 3.49 5.02 0.38 -4.97 118.16 114.25 3kqf n LYS 254 Ca 0.17 0.43 -0.21 0.00 -2.02 0.00 0.00 58.31 56.68 3kqf n LYS 254 Cb 0.30 -4.68 -0.10 0.00 -0.02 0.00 0.00 35.03 30.53 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 -6.55 1.66 0.07 1.97 1.70 -0.48 -5.04 118.95 112.28 3kqf s ARG 255 Ca 0.11 -1.95 -0.30 0.00 -0.47 0.00 0.00 55.73 53.12 3kqf s ARG 255 Cb -0.06 -0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 33.75 3kqf s ARG 255 CO 0.88 -0.34 1.01 0.99 -1.08 0.00 0.00 175.30 176.76 3kqf s THR 256 N -3.44 4.54 0.00 4.99 2.01 -1.26 -4.51 115.64 117.97 3kqf s THR 256 Ca 0.33 1.96 0.00 0.00 0.31 0.00 0.00 61.69 64.30 3kqf s THR 256 Cb 0.06 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.32 3kqf s THR 256 CO 0.15 0.23 0.00 -0.81 -0.69 0.00 0.00 174.62 173.50 3kqf n PRO 257 N 3.30 2.89 -3.62 4.92 -0.04 -1.26 -4.96 135.00 136.22 3kqf n PRO 257 Ca 0.04 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 3kqf n PRO 257 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.32 -0.02 0.54 2.02 -1.26 -5.06 117.35 113.26 3kqf s TYR 259 Ca 0.00 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 57.39 3kqf s TYR 259 Cb 0.00 0.43 0.00 0.00 -0.40 0.00 0.00 41.96 41.99 3kqf s TYR 259 CO 0.00 -0.21 0.35 1.63 -1.57 0.00 0.00 175.55 175.75 3kqf n LYS 260 N 1.42 1.43 -2.45 -0.62 4.76 -1.26 -4.98 118.16 116.47 3kqf n LYS 260 Ca -0.10 -0.35 -0.05 0.00 -2.87 0.00 0.00 58.31 54.94 3kqf n LYS 260 Cb 0.57 -0.85 0.02 0.00 -1.84 0.00 0.00 35.03 32.93 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 0.31 0.32 0.00 0.72 0.00 -1.26 -5.06 105.19 100.22 3kqf n GLY 261 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3kqf n GLY 261 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48