#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqj s PHE 23 N 0.00 3.33 0.90 2.13 0.40 -1.26 -2.38 117.98 121.10 2pqj s PHE 23 Ca 0.00 -1.51 -0.15 0.00 -0.60 0.00 0.00 56.93 54.67 2pqj s PHE 23 Cb 0.00 -4.05 -0.03 0.00 0.51 0.00 0.00 43.02 39.45 2pqj s PHE 23 CO 0.00 -1.26 0.09 -2.37 0.70 0.00 0.00 175.22 172.38 2pqj n THR 24 N 4.94 0.36 -2.85 0.64 5.66 -0.49 -4.89 114.28 117.66 2pqj n THR 24 Ca 0.12 -0.32 -0.40 0.00 -3.05 0.00 0.00 64.05 60.39 2pqj n THR 24 Cb 0.47 -0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 68.74 2pqj n THR 24 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2pqj s GLU 25 N -2.92 4.65 0.35 1.09 -1.05 -1.26 -4.61 118.70 114.94 2pqj s GLU 25 Ca 0.54 1.30 -0.23 0.00 -0.15 0.00 0.00 54.97 56.43 2pqj s GLU 25 Cb -0.24 -3.34 -0.16 0.00 -0.44 0.00 0.00 34.13 29.95 2pqj s GLU 25 CO 0.70 0.34 0.27 -0.89 0.95 0.00 0.00 175.26 176.63 2pqj n ILE 26 N 2.38 1.16 -3.99 1.83 5.41 -1.26 -4.78 119.36 120.12 2pqj n ILE 26 Ca -0.01 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.90 2pqj n ILE 26 Cb 0.49 -0.09 -0.14 0.00 -0.71 0.00 0.00 39.64 39.19 2pqj n ILE 26 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2pqj s PHE 27 N -1.47 3.22 -0.79 1.39 5.99 -0.89 -5.03 117.98 120.41 2pqj s PHE 27 Ca 0.61 -2.01 -0.26 0.00 0.00 0.00 0.00 56.93 55.28 2pqj s PHE 27 Cb -0.71 -2.02 0.01 0.00 0.00 0.00 0.00 43.02 40.29 2pqj s PHE 27 CO 0.60 -0.83 1.60 -2.14 -0.00 0.00 0.00 175.22 174.46 2pqj s PRO 28 N 1.20 3.00 0.11 10.12 0.02 -1.26 -2.15 135.00 146.04 2pqj s PRO 28 Ca -0.06 -0.19 -0.27 0.00 0.02 0.00 0.00 61.00 60.50 2pqj s PRO 28 Cb -0.19 -4.64 -0.09 0.00 0.02 0.00 0.00 34.50 29.60 2pqj s PRO 28 CO -0.03 -2.55 1.64 0.28 -0.33 0.00 0.00 177.00 176.00 2pqj h VAL 29 N 6.65 0.42 0.00 3.83 2.07 -1.78 -3.05 116.25 124.39 2pqj h VAL 29 Ca -0.11 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 2pqj h VAL 29 Cb 1.07 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2pqj h VAL 29 CO 1.28 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 178.13 2pqj h GLU 30 N -0.48 0.00 -5.51 1.57 5.08 -1.88 -3.43 114.58 109.92 2pqj h GLU 30 Ca 0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2pqj h GLU 30 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2pqj h GLU 30 CO -0.14 0.42 0.38 0.34 -1.00 0.00 0.00 179.01 179.00 2pqj s ASP 31 N -6.40 4.42 0.07 1.42 -1.08 -1.16 -4.79 116.67 109.15 2pqj s ASP 31 Ca 0.03 -0.20 0.03 0.00 -0.52 0.00 0.00 52.55 51.89 2pqj s ASP 31 Cb 0.09 -2.55 0.17 0.00 -1.46 0.00 0.00 42.92 39.17 2pqj s ASP 31 CO 0.71 -3.38 0.95 0.00 0.52 0.00 0.00 175.17 173.97 2pqj n ALA 32 N 16.65 0.68 0.09 3.66 0.00 -1.26 -0.50 120.51 139.83 2pqj n ALA 32 Ca 0.43 0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.87 2pqj n ALA 32 Cb 0.45 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 2pqj n ALA 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2pqj h ASN 33 N 0.00 0.00 -3.56 0.00 2.35 -1.93 -3.41 115.58 109.03 2pqj h ASN 33 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 2pqj h ASN 33 Cb 0.36 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.55 2pqj h ASN 33 CO 0.00 0.82 -0.14 -0.47 -1.65 0.00 0.00 177.43 175.98 2pqj s TYR 34 N -2.99 3.15 0.33 1.19 6.14 0.35 -5.06 117.35 120.46 2pqj s TYR 34 Ca 0.01 -0.25 -0.20 0.00 0.64 0.00 0.00 57.07 57.27 2pqj s TYR 34 Cb 0.10 -2.96 -0.10 0.00 0.42 0.00 0.00 41.96 39.43 2pqj s TYR 34 CO 0.79 -0.70 0.83 -1.25 0.64 0.00 0.00 175.55 175.86 2pqj s PRO 35 N 2.27 4.24 0.20 4.97 0.04 -1.26 -4.90 135.00 140.56 2pqj s PRO 35 Ca 0.14 0.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 2pqj s PRO 35 Cb -0.16 -2.55 0.21 0.00 0.04 0.00 0.00 34.50 32.04 2pqj s PRO 35 CO 0.14 0.19 1.63 -0.92 0.04 0.00 0.00 177.00 178.09 2pqj h TYR 36 N 2.63 -0.32 -0.57 0.56 3.20 -1.97 -2.57 116.97 117.93 2pqj h TYR 36 Ca -0.48 0.05 0.10 0.00 3.14 0.00 0.00 58.73 61.54 2pqj h TYR 36 Cb 1.18 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 39.61 2pqj h TYR 36 CO 0.62 -0.26 0.16 0.66 -1.64 0.00 0.00 178.16 177.70 2pqj h SER 37 N -0.00 0.09 -0.96 -2.11 4.64 -1.92 -1.25 113.55 112.04 2pqj h SER 37 Ca 0.29 0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.77 2pqj h SER 37 Cb 0.44 0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 62.57 2pqj h SER 37 CO -0.61 0.06 0.62 0.00 -0.87 0.00 0.00 176.83 176.03 2pqj h ALA 38 N 1.43 1.48 0.59 5.18 0.00 -1.87 0.79 119.26 126.86 2pqj h ALA 38 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2pqj h ALA 38 Cb 0.39 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pqj h ALA 38 CO -0.34 0.36 -0.29 0.35 0.00 0.00 0.00 179.25 179.33 2pqj h PHE 39 N 1.08 -0.74 0.03 0.00 3.57 -1.18 0.20 116.94 119.90 2pqj h PHE 39 Ca 0.43 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.92 2pqj h PHE 39 Cb 0.24 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2pqj h PHE 39 CO -0.00 -0.44 -0.13 0.82 -2.23 0.00 0.00 178.31 176.33 2pqj h ILE 40 N -0.85 0.69 -0.98 1.41 1.08 -1.02 0.39 117.51 118.24 2pqj h ILE 40 Ca -0.08 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.54 2pqj h ILE 40 Cb 0.63 0.69 -0.09 0.00 -3.07 0.00 0.00 36.82 34.99 2pqj h ILE 40 CO 0.13 0.00 0.61 0.00 -0.69 0.00 0.00 178.15 178.21 2pqj h ALA 41 N 0.70 1.67 -0.02 1.87 0.00 -0.80 0.41 119.26 123.09 2pqj h ALA 41 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2pqj h ALA 41 Cb 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pqj h ALA 41 CO -0.10 0.05 -0.07 1.03 0.00 0.00 0.00 179.25 180.16 2pqj h SER 42 N 0.84 0.10 -0.41 0.00 0.87 0.38 -2.82 113.55 112.50 2pqj h SER 42 Ca 0.51 -0.62 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2pqj h SER 42 Cb 0.69 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 2pqj h SER 42 CO -0.28 0.71 0.11 0.58 -0.53 0.00 0.00 176.83 177.41 2pqj h VAL 43 N -0.50 1.21 -0.60 2.23 2.07 0.62 -2.23 116.25 119.06 2pqj h VAL 43 Ca -0.00 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2pqj h VAL 43 Cb 0.70 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2pqj h VAL 43 CO 0.02 0.28 0.10 0.03 0.02 0.00 0.00 177.57 178.02 2pqj h ARG 44 N 0.71 0.99 -0.04 1.57 3.08 -0.29 -1.02 114.38 119.38 2pqj h ARG 44 Ca 0.16 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.97 2pqj h ARG 44 Cb 0.28 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 2pqj h ARG 44 CO -0.00 0.93 -0.54 0.87 -1.07 0.00 0.00 179.97 180.16 2pqj h LYS 45 N 0.89 -0.62 -0.60 0.04 1.57 -1.14 0.76 116.57 117.46 2pqj h LYS 45 Ca 0.18 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.13 2pqj h LYS 45 Cb 0.42 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.77 2pqj h LYS 45 CO 0.01 -0.42 0.02 -0.44 -0.57 0.00 0.00 179.45 178.06 2pqj h ASP 46 N -0.65 -0.22 0.74 0.86 3.45 -1.21 -1.93 116.42 117.47 2pqj h ASP 46 Ca 0.02 0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 2pqj h ASP 46 Cb 0.71 0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 2pqj h ASP 46 CO -0.38 -0.09 -0.40 0.58 -1.57 0.00 0.00 179.24 177.38 2pqj h VAL 47 N 0.14 0.18 -0.95 -1.35 2.07 0.30 -3.02 116.25 113.63 2pqj h VAL 47 Ca 0.31 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.07 2pqj h VAL 47 Cb 0.50 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2pqj h VAL 47 CO -0.49 0.00 0.63 0.40 0.02 0.00 0.00 177.57 178.13 2pqj h ILE 48 N -1.06 0.61 -0.73 4.57 2.04 0.94 0.25 117.51 124.12 2pqj h ILE 48 Ca -0.10 -0.11 0.21 0.00 1.00 0.00 0.00 64.86 65.87 2pqj h ILE 48 Cb 0.83 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2pqj h ILE 48 CO 0.14 0.06 0.90 0.50 0.00 0.00 0.00 178.15 179.74 2pqj h LYS 49 N 0.32 0.00 0.00 2.37 3.64 -1.23 0.37 116.57 122.04 2pqj h LYS 49 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 2pqj h LYS 49 Cb 1.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2pqj h LYS 49 CO -0.17 0.00 -0.99 0.72 -2.27 0.00 0.00 179.45 176.74 2pqj n HIS 50 N -3.37 0.00 -2.33 1.91 8.25 0.87 -4.99 115.22 115.57 2pqj n HIS 50 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.23 2pqj n HIS 50 Cb 1.14 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 32.11 2pqj n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pqj s THR 52 N -1.40 5.34 -0.86 0.00 -4.23 -0.22 -4.82 115.64 109.44 2pqj s THR 52 Ca 0.56 0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 61.23 2pqj s THR 52 Cb -0.30 -3.58 0.04 0.00 1.34 0.00 0.00 72.50 69.99 2pqj s THR 52 CO 0.38 0.40 1.39 -0.62 -0.54 0.00 0.00 174.62 175.63 2pqj s ASP 53 N 0.49 6.26 0.25 3.99 3.68 -1.26 -2.25 116.67 127.83 2pqj s ASP 53 Ca 0.13 -0.87 -0.30 0.00 2.13 0.00 0.00 52.55 53.64 2pqj s ASP 53 Cb -0.12 -2.56 -0.09 0.00 -1.45 0.00 0.00 42.92 38.69 2pqj s ASP 53 CO 0.02 -1.73 0.97 -1.00 0.13 0.00 0.00 175.17 173.56 2pqj s HIS 54 N 5.60 3.90 0.22 -5.34 3.76 -1.26 -5.00 115.29 117.18 2pqj s HIS 54 Ca 0.42 1.87 -0.32 0.00 -0.15 0.00 0.00 55.06 56.88 2pqj s HIS 54 Cb -0.05 -3.05 -0.12 0.00 1.11 0.00 0.00 32.58 30.48 2pqj s HIS 54 CO 0.04 0.24 1.70 1.17 -0.85 0.00 0.00 174.74 177.04 2pqj n LYS 55 N 1.42 2.77 -1.00 1.40 4.81 -1.26 -1.97 118.16 124.32 2pqj n LYS 55 Ca -0.02 1.00 -0.00 0.00 -0.87 0.00 0.00 58.31 58.42 2pqj n LYS 55 Cb 0.47 -2.83 -0.00 0.00 0.02 0.00 0.00 35.03 32.68 2pqj n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pqj n GLY 56 N 3.66 0.36 3.08 3.14 0.00 -1.26 -4.90 105.19 109.27 2pqj n GLY 56 Ca 0.15 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2pqj n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqj s ILE 57 N -1.72 2.15 0.30 -0.61 1.01 -0.83 -4.24 121.20 117.25 2pqj s ILE 57 Ca 0.00 -1.53 0.05 0.00 0.00 0.00 0.00 60.65 59.18 2pqj s ILE 57 Cb 0.00 -2.21 0.29 0.00 0.01 0.00 0.00 42.46 40.55 2pqj s ILE 57 CO 0.00 0.06 1.70 -0.26 0.00 0.00 0.00 174.94 176.44 2pqj h PHE 58 N 7.80 0.72 -2.04 3.97 -1.00 -1.93 -3.43 116.94 121.03 2pqj h PHE 58 Ca -0.23 0.04 -0.51 0.00 2.81 0.00 0.00 57.97 60.08 2pqj h PHE 58 Cb 1.06 -0.17 -0.05 0.00 3.61 0.00 0.00 35.95 40.39 2pqj h PHE 58 CO 0.61 -0.03 -0.51 -0.65 -1.61 0.00 0.00 178.31 176.11 2pqj s GLN 59 N -5.86 2.73 0.34 1.51 1.11 -1.26 -5.07 119.66 113.16 2pqj s GLN 59 Ca -0.11 -1.23 -0.29 0.00 0.01 0.00 0.00 55.36 53.74 2pqj s GLN 59 Cb 0.26 -2.45 -0.11 0.00 -1.01 0.00 0.00 33.01 29.70 2pqj s GLN 59 CO 0.78 0.26 1.54 -2.14 0.01 0.00 0.00 175.29 175.75 2pqj s PRO 60 N -3.88 4.10 -0.13 2.91 0.02 -1.26 -4.70 135.00 132.06 2pqj s PRO 60 Ca 0.36 2.60 -0.13 0.00 0.02 0.00 0.00 61.00 63.85 2pqj s PRO 60 Cb -0.06 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 2pqj s PRO 60 CO 0.25 -0.59 0.28 0.08 -0.33 0.00 0.00 177.00 176.69 2pqj s VAL 61 N -0.65 5.29 0.42 3.83 1.01 -0.95 -2.70 120.40 126.65 2pqj s VAL 61 Ca 0.57 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 2pqj s VAL 61 Cb -0.47 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 2pqj s VAL 61 CO 0.57 0.46 0.98 -0.76 0.00 0.00 0.00 175.10 176.35 2pqj s LEU 62 N -0.01 4.01 0.32 3.92 1.43 -0.41 -1.06 118.68 126.89 2pqj s LEU 62 Ca 0.17 1.80 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 2pqj s LEU 62 Cb -0.13 -4.41 -0.13 0.00 0.03 0.00 0.00 46.19 41.54 2pqj s LEU 62 CO 0.05 -0.41 0.11 -2.65 0.23 0.00 0.00 176.35 173.68 2pqj n PRO 63 N -0.43 0.00 -2.30 1.29 -0.02 -1.26 -4.45 135.00 127.83 2pqj n PRO 63 Ca 0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 2pqj n PRO 63 Cb 0.52 -0.84 -0.03 0.00 -0.02 0.00 0.00 33.50 33.13 2pqj n PRO 63 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2pqj s PRO 64 N -0.84 4.45 -0.37 0.52 0.04 -1.26 -4.45 135.00 133.09 2pqj s PRO 64 Ca 0.50 1.97 -0.35 0.00 0.04 0.00 0.00 61.00 63.16 2pqj s PRO 64 Cb -0.56 -3.21 -0.12 0.00 0.04 0.00 0.00 34.50 30.65 2pqj s PRO 64 CO 0.52 -0.15 2.21 -1.91 0.04 0.00 0.00 177.00 177.71 2pqj n GLU 65 N 2.40 1.04 -4.12 4.56 2.13 -1.26 -4.93 120.64 120.46 2pqj n GLU 65 Ca 0.05 0.27 -0.34 0.00 0.66 0.00 0.00 57.16 57.80 2pqj n GLU 65 Cb 0.44 -2.46 -0.10 0.00 0.27 0.00 0.00 31.44 29.58 2pqj n GLU 65 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2pqj s LYS 66 N 6.34 3.88 0.52 5.31 1.02 -1.26 -4.96 119.74 130.58 2pqj s LYS 66 Ca 1.10 -0.40 0.37 0.00 0.02 0.00 0.00 55.97 57.06 2pqj s LYS 66 Cb -0.85 -3.13 1.53 0.00 -0.52 0.00 0.00 37.83 34.86 2pqj s LYS 66 CO 0.48 0.25 1.72 1.57 -0.92 0.00 0.00 175.35 178.45 2pqj h LYS 67 N 6.73 0.06 -3.78 1.68 5.09 -2.06 -1.47 116.57 122.82 2pqj h LYS 67 Ca -0.35 -0.00 -0.64 0.00 0.09 0.00 0.00 60.65 59.75 2pqj h LYS 67 Cb 1.17 -0.01 -0.40 0.00 0.10 0.00 0.00 32.23 33.09 2pqj h LYS 67 CO 0.68 0.04 -0.68 0.08 -2.09 0.00 0.00 179.45 177.48 2pqj s VAL 68 N -5.04 2.24 0.23 0.07 1.01 -1.26 -5.09 120.40 112.56 2pqj s VAL 68 Ca -0.06 -2.79 -0.22 0.00 0.00 0.00 0.00 61.98 58.91 2pqj s VAL 68 Cb 0.25 -2.60 -0.14 0.00 0.00 0.00 0.00 36.38 33.89 2pqj s VAL 68 CO 0.83 -0.74 0.31 -0.81 0.00 0.00 0.00 175.10 174.69 2pqj n PRO 69 N 3.64 0.00 -0.04 2.72 -0.04 -0.56 -4.91 135.00 135.82 2pqj n PRO 69 Ca 0.05 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 2pqj n PRO 69 Cb 0.36 -0.85 -0.04 0.00 -0.04 0.00 0.00 33.50 32.94 2pqj n PRO 69 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2pqj n GLU 70 N 0.95 0.48 -3.45 0.54 0.00 -1.26 -4.99 120.64 112.90 2pqj n GLU 70 Ca 0.13 0.04 -0.37 0.00 0.00 0.00 0.00 57.16 56.96 2pqj n GLU 70 Cb 0.26 -1.16 -0.07 0.00 0.00 0.00 0.00 31.44 30.47 2pqj n GLU 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2pqj s LEU 71 N -5.36 4.24 0.29 -1.84 2.01 -1.26 -5.08 118.68 111.69 2pqj s LEU 71 Ca -0.10 0.60 0.11 0.00 0.01 0.00 0.00 54.13 54.74 2pqj s LEU 71 Cb 0.03 -2.48 -0.05 0.00 0.01 0.00 0.00 46.19 43.69 2pqj s LEU 71 CO 0.19 0.05 -0.16 0.26 1.01 0.00 0.00 176.35 177.70 2pqj s TRP 72 N 0.62 2.25 -0.24 0.29 0.52 -1.26 -1.80 118.94 119.32 2pqj s TRP 72 Ca 0.20 -0.42 -0.02 0.00 0.02 0.00 0.00 56.10 55.87 2pqj s TRP 72 Cb -0.14 -1.09 0.08 0.00 -1.15 0.00 0.00 33.47 31.16 2pqj s TRP 72 CO 0.06 0.63 0.06 -1.17 0.02 0.00 0.00 176.95 176.54 2pqj s LEU 73 N -3.52 1.59 -0.42 2.99 2.96 0.84 -3.91 118.68 119.21 2pqj s LEU 73 Ca 0.30 -1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 52.94 2pqj s LEU 73 Cb -0.02 -0.71 0.06 0.00 0.50 0.00 0.00 46.19 46.02 2pqj s LEU 73 CO 0.15 -0.35 0.28 -0.31 -1.32 0.00 0.00 176.35 174.80 2pqj s TYR 74 N 1.76 3.28 -0.24 5.38 1.51 -1.00 -1.30 117.35 126.75 2pqj s TYR 74 Ca 0.03 -1.12 -0.04 0.00 -1.01 0.00 0.00 57.07 54.93 2pqj s TYR 74 Cb -0.17 -2.80 0.00 0.00 -0.11 0.00 0.00 41.96 38.88 2pqj s TYR 74 CO -0.16 -0.75 -0.04 0.95 -1.11 0.00 0.00 175.55 174.45 2pqj s THR 75 N 1.54 3.28 -0.33 -0.71 -4.23 -0.87 -1.39 115.64 112.93 2pqj s THR 75 Ca 0.03 -0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 59.71 2pqj s THR 75 Cb -0.22 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 2pqj s THR 75 CO 0.05 0.32 0.39 -0.70 -0.54 0.00 0.00 174.62 174.15 2pqj s GLU 76 N 1.44 3.65 -0.41 3.99 2.12 -1.26 -0.19 118.70 128.04 2pqj s GLU 76 Ca 0.04 -0.29 -0.15 0.00 0.36 0.00 0.00 54.97 54.92 2pqj s GLU 76 Cb -0.15 -3.78 0.02 0.00 0.26 0.00 0.00 34.13 30.48 2pqj s GLU 76 CO -0.03 -0.50 0.34 -0.51 -0.54 0.00 0.00 175.26 174.01 2pqj s LEU 77 N 2.10 4.97 -0.10 2.70 1.43 -0.37 -2.09 118.68 127.32 2pqj s LEU 77 Ca 0.14 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2pqj s LEU 77 Cb -0.16 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 2pqj s LEU 77 CO 0.12 -0.47 -0.19 -1.59 0.23 0.00 0.00 176.35 174.45 2pqj s LYS 78 N 1.82 3.06 0.00 1.70 -2.85 -0.91 -2.15 119.74 120.41 2pqj s LYS 78 Ca 0.07 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 2pqj s LYS 78 Cb -0.18 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.16 2pqj s LYS 78 CO 0.11 0.27 0.00 0.25 0.10 0.00 0.00 175.35 176.08 2pqj n THR 79 N 3.31 0.00 -0.00 3.79 -2.24 0.29 -2.18 114.28 117.25 2pqj n THR 79 Ca -0.18 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 2pqj n THR 79 Cb 0.53 -0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 67.86 2pqj n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pqj n ARG 80 N 0.00 0.64 -0.00 -0.78 1.74 -1.26 -4.39 116.66 112.61 2pqj n ARG 80 Ca 0.00 0.05 0.07 0.00 -0.77 0.00 0.00 57.85 57.20 2pqj n ARG 80 Cb 0.00 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 29.67 2pqj n ARG 80 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2pqj n THR 81 N -2.66 0.00 -1.90 0.55 -2.24 -1.26 -5.08 114.28 101.68 2pqj n THR 81 Ca -0.12 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2pqj n THR 81 Cb 0.80 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2pqj n THR 81 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pqj n SER 82 N -1.76 0.00 0.00 3.42 2.88 -1.26 -5.14 113.62 111.76 2pqj n SER 82 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2pqj n SER 82 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2pqj n SER 82 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2pqj n SER 83 N 0.00 0.00 -4.03 -3.46 3.41 -1.26 -0.55 113.62 107.73 2pqj n SER 83 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2pqj n SER 83 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2pqj n SER 83 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2pqj s ILE 84 N -2.00 0.06 -0.10 -1.33 -4.36 -0.91 -3.84 121.20 108.72 2pqj s ILE 84 Ca 0.00 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 2pqj s ILE 84 Cb 0.00 -2.01 0.01 0.00 1.25 0.00 0.00 42.46 41.71 2pqj s ILE 84 CO 0.00 -0.26 -0.16 -0.89 0.24 0.00 0.00 174.94 173.87 2pqj s THR 85 N -4.01 1.48 -0.00 8.37 2.01 -0.82 -1.24 115.64 121.44 2pqj s THR 85 Ca 0.22 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 2pqj s THR 85 Cb 0.04 -1.34 -0.06 0.00 0.01 0.00 0.00 72.50 71.15 2pqj s THR 85 CO 0.03 0.44 0.49 -0.76 -0.69 0.00 0.00 174.62 174.13 2pqj s LEU 86 N 0.80 4.45 -0.47 4.42 1.43 0.74 0.48 118.68 130.52 2pqj s LEU 86 Ca -0.11 1.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.97 2pqj s LEU 86 Cb -0.16 -2.74 0.12 0.00 0.03 0.00 0.00 46.19 43.45 2pqj s LEU 86 CO 0.01 0.22 0.33 0.00 0.23 0.00 0.00 176.35 177.15 2pqj s ALA 87 N -0.67 3.36 -0.21 4.21 0.00 0.43 -2.04 121.76 126.84 2pqj s ALA 87 Ca 0.27 -2.58 -0.04 0.00 0.00 0.00 0.00 51.96 49.60 2pqj s ALA 87 Cb -0.17 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 2pqj s ALA 87 CO 0.15 -1.90 -0.03 0.42 0.00 0.00 0.00 175.76 174.40 2pqj s ILE 88 N 1.24 3.55 0.15 0.00 1.01 -0.42 -0.25 121.20 126.48 2pqj s ILE 88 Ca 0.07 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2pqj s ILE 88 Cb -0.25 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.54 2pqj s ILE 88 CO -0.02 0.42 1.18 0.00 0.00 0.00 0.00 174.94 176.53 2pqj s ARG 89 N 1.31 4.49 0.03 2.79 1.70 -1.09 -0.11 118.95 128.07 2pqj s ARG 89 Ca 0.04 1.82 -0.22 0.00 -0.47 0.00 0.00 55.73 56.90 2pqj s ARG 89 Cb -0.14 -3.27 -0.12 0.00 -0.57 0.00 0.00 34.95 30.84 2pqj s ARG 89 CO -0.01 -0.10 1.32 0.52 -1.08 0.00 0.00 175.30 175.95 2pqj h MET 90 N 5.63 -0.74 -0.41 3.89 2.86 -1.65 -2.10 114.93 122.41 2pqj h MET 90 Ca -0.44 0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.32 2pqj h MET 90 Cb 1.21 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.98 2pqj h MET 90 CO 0.76 -0.50 -0.17 -0.40 1.06 0.00 0.00 176.91 177.67 2pqj n ASP 91 N -4.09 -0.28 -1.76 1.22 5.68 -1.26 0.69 116.55 116.75 2pqj n ASP 91 Ca -0.10 0.72 -0.12 0.00 -0.50 0.00 0.00 54.79 54.80 2pqj n ASP 91 Cb 0.31 -0.16 0.07 0.00 -1.14 0.00 0.00 41.12 40.19 2pqj n ASP 91 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2pqj n ASN 92 N -4.61 3.43 -3.76 -1.12 0.23 -1.25 -4.44 115.26 103.75 2pqj n ASN 92 Ca 0.04 -3.44 -0.22 0.00 -0.53 0.00 0.00 54.58 50.43 2pqj n ASN 92 Cb 0.16 -0.40 -0.01 0.00 -2.08 0.00 0.00 39.78 37.45 2pqj n ASN 92 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pqj n LEU 93 N -0.72 -0.23 -4.25 -4.53 4.77 0.22 -4.90 117.00 107.35 2pqj n LEU 93 Ca 0.30 -0.71 -0.35 0.00 -0.03 0.00 0.00 56.01 55.23 2pqj n LEU 93 Cb 0.89 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.98 2pqj n LEU 93 CO 0.22 0.38 -0.42 -0.47 -1.33 0.00 0.00 177.39 175.77 2pqj s TYR 94 N -4.03 2.94 0.17 -1.77 5.04 -1.09 -4.80 117.35 113.81 2pqj s TYR 94 Ca 0.17 -1.18 -0.32 0.00 -2.44 0.00 0.00 57.07 53.29 2pqj s TYR 94 Cb -0.09 -2.06 -0.12 0.00 0.35 0.00 0.00 41.96 40.03 2pqj s TYR 94 CO 0.54 -0.63 1.72 -0.11 -1.34 0.00 0.00 175.55 175.72 2pqj n LEU 95 N 4.74 3.79 -0.03 6.97 7.94 -1.26 -2.67 117.00 136.47 2pqj n LEU 95 Ca -0.19 1.05 -0.02 0.00 -1.11 0.00 0.00 56.01 55.74 2pqj n LEU 95 Cb 0.50 -1.53 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 2pqj n LEU 95 CO 0.28 0.07 -0.73 0.52 -1.11 0.00 0.00 177.39 176.42 2pqj n VAL 96 N 4.04 0.45 0.00 1.96 0.31 0.66 -4.93 118.33 120.81 2pqj n VAL 96 Ca 0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2pqj n VAL 96 Cb 0.34 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 2pqj n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pqj n GLY 97 N 2.41 0.27 3.18 2.92 0.00 -1.11 -1.48 105.19 111.38 2pqj n GLY 97 Ca -0.11 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 2pqj n GLY 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqj s PHE 98 N -2.00 0.97 -0.17 1.61 -0.12 -0.75 0.16 117.98 117.69 2pqj s PHE 98 Ca 0.00 -0.80 -0.02 0.00 -0.05 0.00 0.00 56.93 56.06 2pqj s PHE 98 Cb 0.00 -0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 41.84 2pqj s PHE 98 CO 0.00 -0.07 -0.09 0.50 -0.05 0.00 0.00 175.22 175.51 2pqj s ARG 99 N -3.43 3.41 0.57 1.99 3.52 0.18 -1.40 118.95 123.79 2pqj s ARG 99 Ca 0.10 -0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 54.93 2pqj s ARG 99 Cb 0.02 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.54 2pqj s ARG 99 CO -0.02 0.05 0.99 0.95 -0.81 0.00 0.00 175.30 176.46 2pqj s THR 100 N 0.80 4.67 0.29 4.11 -4.23 0.11 -1.94 115.64 119.46 2pqj s THR 100 Ca -0.03 0.93 0.04 0.00 -1.18 0.00 0.00 61.69 61.45 2pqj s THR 100 Cb -0.15 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.16 2pqj s THR 100 CO 0.01 -0.97 1.79 -0.65 -0.54 0.00 0.00 174.62 174.26 2pqj h PRO 101 N 0.15 0.78 0.00 3.99 0.11 -1.79 0.40 132.00 135.64 2pqj h PRO 101 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2pqj h PRO 101 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2pqj h PRO 101 CO 0.62 0.51 0.00 0.41 -0.21 0.00 0.00 178.00 179.33 2pqj n GLY 102 N -1.33 -0.30 1.00 -0.55 0.00 -1.26 -4.78 105.19 97.97 2pqj n GLY 102 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2pqj n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqj n GLY 103 N -0.78 0.76 3.78 -0.02 0.00 0.14 -5.06 105.19 104.02 2pqj n GLY 103 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2pqj n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqj s VAL 104 N -2.58 3.46 -0.23 1.61 1.01 -1.24 -4.76 120.40 117.68 2pqj s VAL 104 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2pqj s VAL 104 Cb 0.00 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.94 2pqj s VAL 104 CO 0.00 -0.08 -0.10 0.26 0.00 0.00 0.00 175.10 175.19 2pqj s TRP 105 N -1.71 2.70 -0.20 5.22 0.52 -1.26 0.06 118.94 124.28 2pqj s TRP 105 Ca 0.64 -1.87 -0.12 0.00 0.02 0.00 0.00 56.10 54.77 2pqj s TRP 105 Cb -0.23 -1.73 -0.05 0.00 -1.15 0.00 0.00 33.47 30.31 2pqj s TRP 105 CO 0.28 -0.80 0.22 -1.58 0.02 0.00 0.00 176.95 175.09 2pqj s TRP 106 N 1.30 3.40 -0.02 -1.98 0.52 -0.49 -1.66 118.94 120.00 2pqj s TRP 106 Ca -0.05 0.43 0.07 0.00 0.02 0.00 0.00 56.10 56.57 2pqj s TRP 106 Cb -0.18 -2.29 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 2pqj s TRP 106 CO -0.07 0.19 -0.23 -2.00 0.02 0.00 0.00 176.95 174.86 2pqj s GLU 107 N 0.67 2.17 0.28 4.98 2.12 0.15 -1.81 118.70 127.26 2pqj s GLU 107 Ca 0.12 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 2pqj s GLU 107 Cb -0.13 -2.12 -0.11 0.00 0.26 0.00 0.00 34.13 32.03 2pqj s GLU 107 CO 0.03 0.57 1.53 -0.06 -0.54 0.00 0.00 175.26 176.79 2pqj s PHE 108 N -0.68 2.84 -4.64 5.30 0.40 -0.55 -1.41 117.98 119.25 2pqj s PHE 108 Ca 0.11 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 2pqj s PHE 108 Cb -0.10 -3.98 0.00 0.00 0.51 0.00 0.00 43.02 39.45 2pqj s PHE 108 CO 0.00 -3.24 0.00 0.41 0.70 0.00 0.00 175.22 173.09 2pqj n GLY 109 N 2.07 0.94 3.82 4.36 0.00 -1.12 -4.86 105.19 110.42 2pqj n GLY 109 Ca 0.07 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 2pqj n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pqj s LYS 110 N -1.86 1.90 -0.23 1.61 -2.85 -1.26 -0.18 119.74 116.88 2pqj s LYS 110 Ca 0.00 -1.14 -0.39 0.00 -1.00 0.00 0.00 55.97 53.44 2pqj s LYS 110 Cb 0.00 0.60 -0.15 0.00 -2.06 0.00 0.00 37.83 36.23 2pqj s LYS 110 CO 0.00 -0.87 1.78 -0.25 0.10 0.00 0.00 175.35 176.11 2pqj n ASP 111 N -0.73 2.66 0.00 0.03 10.43 -1.26 -1.30 116.55 126.38 2pqj n ASP 111 Ca -0.05 1.05 0.00 0.00 2.57 0.00 0.00 54.79 58.36 2pqj n ASP 111 Cb 0.59 -1.20 0.00 0.00 1.84 0.00 0.00 41.12 42.35 2pqj n ASP 111 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pqj n GLY 112 N 4.24 3.37 3.39 0.44 0.00 -1.26 -5.08 105.19 110.30 2pqj n GLY 112 Ca 0.25 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2pqj n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqj n ASP 113 N 0.07 -2.36 -4.30 1.61 10.43 -0.42 -5.00 116.55 116.58 2pqj n ASP 113 Ca 0.00 -0.32 -0.34 0.00 2.57 0.00 0.00 54.79 56.70 2pqj n ASP 113 Cb 0.00 -1.17 -0.14 0.00 1.84 0.00 0.00 41.12 41.65 2pqj n ASP 113 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2pqj s THR 114 N -2.32 3.09 0.54 -3.53 2.01 -1.26 -4.92 115.64 109.25 2pqj s THR 114 Ca 0.67 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 2pqj s THR 114 Cb -0.22 -2.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 2pqj s THR 114 CO 0.64 0.47 1.17 1.41 -0.69 0.00 0.00 174.62 177.62 2pqj n HIS 115 N 4.38 1.63 0.08 4.92 8.25 -1.26 -4.93 115.22 128.29 2pqj n HIS 115 Ca -0.19 0.46 0.02 0.00 -0.26 0.00 0.00 57.72 57.75 2pqj n HIS 115 Cb 0.51 -2.27 -0.03 0.00 1.12 0.00 0.00 29.99 29.33 2pqj n HIS 115 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2pqj n LEU 116 N -0.62 0.08 -4.84 2.41 4.77 -1.26 -5.02 117.00 112.52 2pqj n LEU 116 Ca 0.11 -0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.49 2pqj n LEU 116 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2pqj n LEU 116 CO 0.53 0.02 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.73 2pqj s LEU 117 N -2.77 4.37 0.00 2.23 1.43 -1.26 -5.02 118.68 117.66 2pqj s LEU 117 Ca -0.00 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2pqj s LEU 117 Cb 0.03 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2pqj s LEU 117 CO 0.16 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.69 2pqj n GLY 118 N 2.28 0.93 5.00 -3.19 0.00 -1.26 -4.58 105.19 104.37 2pqj n GLY 118 Ca -0.18 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2pqj n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqj n ASP 119 N 0.00 0.00 0.00 1.61 9.92 -1.26 -4.48 116.55 122.34 2pqj n ASP 119 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2pqj n ASP 119 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2pqj n ASP 119 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2pqj n ASN 120 N 1.76 0.00 -4.42 -2.24 5.03 -1.26 -5.15 115.26 108.98 2pqj n ASN 120 Ca 0.00 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.17 2pqj n ASN 120 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.64 2pqj n ASN 120 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2pqj s PRO 121 N -1.70 1.52 -0.02 3.52 0.04 -1.26 -4.23 135.00 132.87 2pqj s PRO 121 Ca 0.00 -1.40 -0.01 0.00 0.04 0.00 0.00 61.00 59.63 2pqj s PRO 121 Cb 0.00 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2pqj s PRO 121 CO 0.00 0.43 0.05 1.03 0.04 0.00 0.00 177.00 178.55 2pqj s ARG 122 N -2.35 0.05 0.24 4.56 0.52 -0.67 -5.00 118.95 116.30 2pqj s ARG 122 Ca 0.18 0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 55.18 2pqj s ARG 122 Cb -0.09 0.00 -0.09 0.00 0.52 0.00 0.00 34.95 35.29 2pqj s ARG 122 CO 0.08 -0.02 0.91 -1.58 0.02 0.00 0.00 175.30 174.72 2pqj s TRP 123 N 0.11 3.93 -0.81 -0.53 0.23 -1.26 0.33 118.94 120.94 2pqj s TRP 123 Ca -0.01 1.85 0.26 0.00 -2.03 0.00 0.00 56.10 56.17 2pqj s TRP 123 Cb -0.01 -2.93 0.75 0.00 0.03 0.00 0.00 33.47 31.30 2pqj s TRP 123 CO -0.00 0.43 1.64 1.28 0.96 0.00 0.00 176.95 181.26 2pqj n LEU 124 N 1.36 0.55 0.00 2.99 4.77 -0.50 -4.82 117.00 121.36 2pqj n LEU 124 Ca -0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2pqj n LEU 124 Cb 0.48 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2pqj n LEU 124 CO 0.48 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2pqj n GLY 125 N 1.39 1.64 2.93 -0.72 0.00 0.75 -4.97 105.19 106.21 2pqj n GLY 125 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2pqj n GLY 125 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqj s PHE 126 N -2.70 0.31 0.63 1.61 -0.12 -0.72 -4.62 117.98 112.36 2pqj s PHE 126 Ca 0.00 -0.07 -0.10 0.00 -0.05 0.00 0.00 56.93 56.71 2pqj s PHE 126 Cb 0.00 -0.20 0.15 0.00 -0.63 0.00 0.00 43.02 42.35 2pqj s PHE 126 CO 0.00 -0.01 0.34 0.41 -0.05 0.00 0.00 175.22 175.92 2pqj n GLY 127 N 2.95 -3.16 0.31 1.99 0.00 -1.26 -2.78 105.19 103.23 2pqj n GLY 127 Ca -0.13 -1.03 0.05 0.00 0.00 0.00 0.00 46.02 44.91 2pqj n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqj n GLY 128 N -2.05 -0.20 3.72 -0.02 0.00 -1.26 -4.72 105.19 100.66 2pqj n GLY 128 Ca 0.05 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 2pqj n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqj s ARG 129 N -1.27 0.59 0.39 1.61 3.00 -1.26 -4.85 118.95 117.16 2pqj s ARG 129 Ca 0.10 0.36 0.18 0.00 0.00 0.00 0.00 55.73 56.37 2pqj s ARG 129 Cb 0.09 -1.77 0.78 0.00 0.00 0.00 0.00 34.95 34.05 2pqj s ARG 129 CO 0.23 -2.59 1.80 1.88 0.00 0.00 0.00 175.30 176.62 2pqj h TYR 130 N -1.78 0.00 0.00 -0.53 0.05 -1.95 -2.35 116.97 110.40 2pqj h TYR 130 Ca -0.53 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.23 2pqj h TYR 130 Cb 1.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.07 2pqj h TYR 130 CO 0.15 0.35 -0.12 1.96 -1.05 0.00 0.00 178.16 179.45 2pqj h GLN 131 N 0.00 0.00 0.16 4.88 7.50 -1.93 0.63 115.11 126.35 2pqj h GLN 131 Ca -0.00 0.00 -0.34 0.00 0.50 0.00 0.00 58.65 58.81 2pqj h GLN 131 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.31 2pqj h GLN 131 CO 0.05 0.12 -1.68 -0.44 -1.50 0.00 0.00 178.83 175.38 2pqj h ASP 132 N 0.00 0.54 0.93 1.46 3.32 -1.74 -2.38 116.42 118.57 2pqj h ASP 132 Ca -0.00 -0.79 -0.18 0.00 0.02 0.00 0.00 57.03 56.07 2pqj h ASP 132 Cb 0.35 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2pqj h ASP 132 CO 0.02 1.67 -1.14 -0.07 -1.72 0.00 0.00 179.24 177.99 2pqj h LEU 133 N 0.09 0.00 -0.79 1.55 3.38 -1.18 -3.41 115.31 114.95 2pqj h LEU 133 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2pqj h LEU 133 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2pqj h LEU 133 CO 0.17 0.73 -0.02 2.30 0.09 0.00 0.00 178.44 181.71 2pqj n ILE 134 N -3.11 0.00 0.00 1.22 -5.35 0.17 -4.58 119.36 107.72 2pqj n ILE 134 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 2pqj n ILE 134 Cb 0.87 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 2pqj n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pqj n GLY 135 N 0.00 0.71 0.00 3.28 0.00 -0.89 -1.96 105.19 106.33 2pqj n GLY 135 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2pqj n GLY 135 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pqj n ASN 136 N 5.45 0.56 -4.72 1.61 0.23 -1.26 -4.18 115.26 112.95 2pqj n ASN 136 Ca 0.00 -0.83 -0.35 0.00 -0.53 0.00 0.00 54.58 52.87 2pqj n ASN 136 Cb 0.00 0.22 0.08 0.00 -2.08 0.00 0.00 39.78 38.00 2pqj n ASN 136 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2pqj s LYS 137 N -0.22 2.31 0.27 -3.83 1.02 -0.83 -4.99 119.74 113.46 2pqj s LYS 137 Ca 0.00 1.88 -0.10 0.00 0.02 0.00 0.00 55.97 57.77 2pqj s LYS 137 Cb 0.00 -1.84 -0.07 0.00 -0.52 0.00 0.00 37.83 35.40 2pqj s LYS 137 CO 0.00 -1.74 0.60 0.20 -0.92 0.00 0.00 175.35 173.49 2pqj s GLY 138 N -1.76 2.22 0.15 -3.33 0.00 -1.26 -4.93 107.32 98.40 2pqj s GLY 138 Ca 0.78 -0.24 0.09 0.00 0.00 0.00 0.00 44.72 45.34 2pqj s GLY 138 CO 0.43 -0.09 1.25 1.04 0.00 0.00 0.00 173.10 175.72 2pqj n LEU 139 N -0.35 0.24 0.01 0.66 4.32 -1.26 -0.49 117.00 120.13 2pqj n LEU 139 Ca 0.01 0.58 0.09 0.00 -0.02 0.00 0.00 56.01 56.67 2pqj n LEU 139 Cb 0.53 -0.60 0.40 0.00 -1.62 0.00 0.00 43.42 42.12 2pqj n LEU 139 CO 0.45 -0.66 0.80 -1.84 -1.22 0.00 0.00 177.39 174.91 2pqj n GLU 140 N -1.81 0.01 0.02 3.23 0.00 -1.26 -2.76 120.64 118.07 2pqj n GLU 140 Ca -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 57.16 57.31 2pqj n GLU 140 Cb 0.06 -1.52 -0.10 0.00 0.00 0.00 0.00 31.44 29.88 2pqj n GLU 140 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2pqj h THR 141 N 0.00 0.72 -2.99 3.84 1.35 -1.10 -3.42 112.91 111.30 2pqj h THR 141 Ca 0.00 -2.36 -0.57 0.00 -0.55 0.00 0.00 66.41 62.93 2pqj h THR 141 Cb 0.33 2.25 -0.05 0.00 -1.73 0.00 0.00 68.15 68.95 2pqj h THR 141 CO 0.00 0.41 0.89 -0.69 -0.25 0.00 0.00 175.52 175.88 2pqj s VAL 142 N -2.79 4.36 0.29 6.82 1.01 -1.11 -5.01 120.40 123.96 2pqj s VAL 142 Ca -0.03 1.63 -0.20 0.00 0.00 0.00 0.00 61.98 63.37 2pqj s VAL 142 Cb 0.08 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 2pqj s VAL 142 CO 0.81 -0.20 0.80 -0.89 0.00 0.00 0.00 175.10 175.62 2pqj s THR 143 N 3.56 4.49 0.33 3.92 2.01 -1.26 -4.73 115.64 123.96 2pqj s THR 143 Ca 0.52 1.36 0.06 0.00 0.31 0.00 0.00 61.69 63.94 2pqj s THR 143 Cb -0.19 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2pqj s THR 143 CO 0.14 0.06 0.25 -0.04 -0.69 0.00 0.00 174.62 174.34 2pqj s MET 144 N -2.32 1.74 0.00 4.92 -1.94 -0.79 -4.83 119.30 116.08 2pqj s MET 144 Ca 0.49 -2.02 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 2pqj s MET 144 Cb -0.15 0.20 0.00 0.00 2.01 0.00 0.00 34.83 36.89 2pqj s MET 144 CO 0.20 -0.61 0.00 0.41 -0.01 0.00 0.00 175.02 175.01 2pqj n GLY 145 N -0.64 3.63 0.60 -0.03 0.00 -1.26 -2.04 105.19 105.46 2pqj n GLY 145 Ca 0.05 -1.77 0.45 0.00 0.00 0.00 0.00 46.02 44.75 2pqj n GLY 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pqj h ARG 146 N 0.00 0.03 0.00 1.61 2.43 -0.92 -1.51 114.38 116.02 2pqj h ARG 146 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pqj h ARG 146 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2pqj h ARG 146 CO 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 2pqj n ALA 147 N -2.78 -0.22 0.21 2.80 0.00 -1.26 -3.17 120.51 116.09 2pqj n ALA 147 Ca 0.38 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.87 2pqj n ALA 147 Cb 1.67 0.04 0.46 0.00 0.00 0.00 0.00 19.45 21.63 2pqj n ALA 147 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pqj h GLU 148 N 0.00 0.00 0.00 0.00 4.39 -1.71 -1.57 114.58 115.69 2pqj h GLU 148 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pqj h GLU 148 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2pqj h GLU 148 CO 0.00 0.26 0.00 -0.12 -1.16 0.00 0.00 179.01 177.99 2pqj n MET 149 N -4.17 0.14 -0.10 2.33 0.00 -0.62 0.61 117.12 115.30 2pqj n MET 149 Ca -0.02 0.59 -0.19 0.00 -0.00 0.00 0.00 57.70 58.08 2pqj n MET 149 Cb 0.31 -1.92 -0.11 0.00 0.00 0.00 0.00 33.22 31.50 2pqj n MET 149 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2pqj h THR 150 N 0.00 0.97 0.00 1.12 2.02 -1.24 -3.20 112.91 112.59 2pqj h THR 150 Ca 0.00 -2.11 0.00 0.00 0.77 0.00 0.00 66.41 65.07 2pqj h THR 150 Cb 0.06 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2pqj h THR 150 CO 0.00 0.33 0.00 0.54 0.37 0.00 0.00 175.52 176.76 2pqj n ARG 151 N -4.48 0.06 -0.06 6.66 1.74 -0.62 -2.62 116.66 117.35 2pqj n ARG 151 Ca -0.27 0.29 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 2pqj n ARG 151 Cb 0.62 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 2pqj n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pqj h ALA 152 N 2.46 0.00 0.05 7.54 0.00 0.02 -3.18 119.26 126.15 2pqj h ALA 152 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pqj h ALA 152 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2pqj h ALA 152 CO 0.00 0.00 -0.11 0.28 0.00 0.00 0.00 179.25 179.42 2pqj h VAL 153 N -1.00 0.00 -0.11 0.00 2.07 -1.52 -1.52 116.25 114.16 2pqj h VAL 153 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2pqj h VAL 153 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2pqj h VAL 153 CO -0.00 0.00 -0.07 0.78 0.02 0.00 0.00 177.57 178.30 2pqj h ASN 154 N -0.17 -0.25 -1.38 0.57 -0.26 -1.71 0.48 115.58 112.86 2pqj h ASN 154 Ca -0.00 0.04 0.42 0.00 -0.56 0.00 0.00 56.30 56.19 2pqj h ASN 154 Cb 0.16 0.11 -0.10 0.00 -1.06 0.00 0.00 38.32 37.44 2pqj h ASN 154 CO -0.05 -0.03 0.93 -0.78 -1.06 0.00 0.00 177.43 176.45 2pqj h ASP 155 N -0.00 0.18 0.93 5.81 3.58 -1.55 0.23 116.42 125.60 2pqj h ASP 155 Ca 0.02 0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.33 2pqj h ASP 155 Cb 0.05 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2pqj h ASP 155 CO -0.11 -0.07 -1.11 -0.07 -2.88 0.00 0.00 179.24 175.00 2pqj h LEU 156 N 0.10 0.00 -0.96 2.28 3.38 0.89 -3.31 115.31 117.69 2pqj h LEU 156 Ca 0.76 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.65 2pqj h LEU 156 Cb 2.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 43.32 2pqj h LEU 156 CO -0.24 0.96 -0.16 0.00 0.09 0.00 0.00 178.44 179.09 2pqj h ALA 157 N 1.04 1.13 0.00 1.53 0.00 0.23 -2.15 119.26 121.03 2pqj h ALA 157 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2pqj h ALA 157 Cb 1.79 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2pqj h ALA 157 CO 0.12 0.55 0.00 0.36 0.00 0.00 0.00 179.25 180.27 2pqj n LYS 158 N -4.17 0.81 -2.47 0.00 0.00 -1.09 -4.49 118.16 106.76 2pqj n LYS 158 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.89 2pqj n LYS 158 Cb 0.36 -1.12 -0.02 0.00 -0.00 0.00 0.00 35.03 34.24 2pqj n LYS 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2pqj s LYS 159 N -1.70 4.21 0.00 -1.58 2.20 -0.81 -4.84 119.74 117.22 2pqj s LYS 159 Ca 0.00 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2pqj s LYS 159 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2pqj s LYS 159 CO 0.00 -0.73 0.00 1.63 -0.36 0.00 0.00 175.35 175.89 2pqj n LYS 160 N 6.62 2.83 -3.96 4.03 4.01 -1.26 -4.99 118.16 125.43 2pqj n LYS 160 Ca 0.14 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.61 2pqj n LYS 160 Cb 0.45 -0.31 -0.05 0.00 -0.51 0.00 0.00 35.03 34.62 2pqj n LYS 160 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2pqj s LYS 161 N -0.26 3.31 0.41 1.97 3.01 -1.26 -5.15 119.74 121.76 2pqj s LYS 161 Ca 0.00 -0.43 0.21 0.00 -1.01 0.00 0.00 55.97 54.74 2pqj s LYS 161 Cb 0.00 -2.99 1.18 0.00 -1.01 0.00 0.00 37.83 35.00 2pqj s LYS 161 CO 0.00 0.64 1.74 1.98 0.51 0.00 0.00 175.35 180.22 2pqj h MET 162 N 3.58 0.31 -0.72 1.68 4.05 -1.96 -3.50 114.93 118.36 2pqj h MET 162 Ca -0.47 -0.02 -0.34 0.00 -0.28 0.00 0.00 59.70 58.59 2pqj h MET 162 Cb 1.18 -0.07 -0.23 0.00 -0.80 0.00 0.00 31.60 31.67 2pqj h MET 162 CO 0.70 0.21 -0.71 -2.30 0.23 0.00 0.00 176.91 175.03 2pqj n PRO 190 N -4.64 0.84 -3.55 0.39 -0.01 -1.26 -4.77 135.00 122.00 2pqj n PRO 190 Ca 0.28 -2.33 0.00 0.00 -0.01 0.00 0.00 63.50 61.44 2pqj n PRO 190 Cb 1.00 -1.34 -0.06 0.00 -0.01 0.00 0.00 33.50 33.09 2pqj n PRO 190 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 175.50 176.63 2pqj s GLN 191 N -0.23 0.23 -0.78 -0.52 1.03 -1.26 -5.13 119.66 113.00 2pqj s GLN 191 Ca 0.32 0.44 -0.08 0.00 0.04 0.00 0.00 55.36 56.08 2pqj s GLN 191 Cb 0.24 0.12 0.20 0.00 0.03 0.00 0.00 33.01 33.61 2pqj s GLN 191 CO -0.15 -0.06 0.67 0.00 -2.54 0.00 0.00 175.29 173.22 2pqj s ALA 192 N 1.54 3.97 -2.52 2.60 0.00 -1.26 -4.44 121.76 121.65 2pqj s ALA 192 Ca -0.07 -3.41 0.26 0.00 0.00 0.00 0.00 51.96 48.75 2pqj s ALA 192 Cb -0.03 -3.13 0.73 0.00 0.00 0.00 0.00 23.12 20.69 2pqj s ALA 192 CO -0.14 -2.20 1.56 -3.47 0.00 0.00 0.00 175.76 171.51 2pqj n ASP 193 N 3.50 1.86 0.05 0.00 4.64 -1.26 -4.24 116.55 121.10 2pqj n ASP 193 Ca 0.13 -1.56 0.13 0.00 -1.38 0.00 0.00 54.79 52.12 2pqj n ASP 193 Cb 0.42 0.04 0.46 0.00 -1.04 0.00 0.00 41.12 41.00 2pqj n ASP 193 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2pqj n THR 194 N 0.37 0.29 0.11 5.18 -2.24 -1.26 -0.76 114.28 115.98 2pqj n THR 194 Ca 0.16 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.60 2pqj n THR 194 Cb 0.42 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.06 2pqj n THR 194 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2pqj h LYS 195 N 0.00 0.37 -0.13 -0.78 1.57 -1.91 -2.27 116.57 113.43 2pqj h LYS 195 Ca 0.00 -0.64 -0.15 0.00 -1.87 0.00 0.00 60.65 57.99 2pqj h LYS 195 Cb 0.63 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2pqj h LYS 195 CO 0.00 1.29 -0.56 1.03 -0.57 0.00 0.00 179.45 180.65 2pqj h SER 196 N 0.10 0.45 0.25 0.86 0.87 -1.44 -1.78 113.55 112.87 2pqj h SER 196 Ca -0.21 -0.24 -0.30 0.00 -1.23 0.00 0.00 61.79 59.81 2pqj h SER 196 Cb 2.06 -0.13 0.03 0.00 -0.44 0.00 0.00 62.40 63.92 2pqj h SER 196 CO 0.22 0.91 -1.30 0.11 -0.53 0.00 0.00 176.83 176.25 2pqj h LYS 197 N 0.31 0.54 -0.61 2.24 1.79 -1.06 -3.16 116.57 116.62 2pqj h LYS 197 Ca 0.00 -0.79 -0.10 0.00 -2.18 0.00 0.00 60.65 57.59 2pqj h LYS 197 Cb 1.07 0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 31.97 2pqj h LYS 197 CO 0.10 1.36 0.01 -0.07 -1.08 0.00 0.00 179.45 179.77 2pqj h LEU 198 N 0.21 1.05 -0.70 2.94 3.38 -1.38 -3.04 115.31 117.77 2pqj h LEU 198 Ca -0.20 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 2pqj h LEU 198 Cb 1.98 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2pqj h LEU 198 CO 0.24 1.09 0.04 1.62 0.09 0.00 0.00 178.44 181.52 2pqj h VAL 199 N 0.98 1.26 -0.43 1.22 3.04 -1.42 -0.21 116.25 120.69 2pqj h VAL 199 Ca 0.18 -1.09 0.06 0.00 -1.01 0.00 0.00 66.70 64.84 2pqj h VAL 199 Cb 0.55 0.74 -0.05 0.00 -2.01 0.00 0.00 31.29 30.52 2pqj h VAL 199 CO 0.03 0.40 0.14 0.11 -1.01 0.00 0.00 177.57 177.24 2pqj h LYS 200 N 0.97 0.29 -0.31 4.17 1.57 -1.50 -1.11 116.57 120.65 2pqj h LYS 200 Ca 0.18 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2pqj h LYS 200 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2pqj h LYS 200 CO 0.02 0.19 -0.19 -0.07 -0.57 0.00 0.00 179.45 178.83 2pqj h LEU 201 N 0.30 0.56 -0.82 2.94 3.38 -1.40 -0.78 115.31 119.49 2pqj h LEU 201 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2pqj h LEU 201 Cb 0.21 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2pqj h LEU 201 CO -0.22 0.76 0.48 0.58 0.09 0.00 0.00 178.44 180.13 2pqj h VAL 202 N 0.51 1.23 0.19 1.22 2.07 0.09 0.35 116.25 121.91 2pqj h VAL 202 Ca 0.08 -0.53 -0.31 0.00 0.82 0.00 0.00 66.70 66.76 2pqj h VAL 202 Cb 0.62 0.10 0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2pqj h VAL 202 CO 0.04 0.25 -1.42 0.58 0.02 0.00 0.00 177.57 177.04 2pqj h VAL 203 N 1.13 1.33 -0.32 2.57 2.07 -1.08 -0.85 116.25 121.09 2pqj h VAL 203 Ca 0.29 -2.84 -0.18 0.00 0.82 0.00 0.00 66.70 64.79 2pqj h VAL 203 Cb -0.03 2.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2pqj h VAL 203 CO -0.05 0.85 -0.50 0.24 0.02 0.00 0.00 177.57 178.13 2pqj h MET 204 N 0.11 0.91 0.00 1.57 2.07 -1.04 -2.60 114.93 115.95 2pqj h MET 204 Ca -0.21 -0.54 0.00 0.00 -2.07 0.00 0.00 59.70 56.87 2pqj h MET 204 Cb 2.08 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 31.86 2pqj h MET 204 CO 0.23 1.19 0.00 0.28 1.07 0.00 0.00 176.91 179.68 2pqj n VAL 205 N -4.02 0.00 -0.14 -2.22 0.31 0.12 -3.65 118.33 108.73 2pqj n VAL 205 Ca -0.04 0.06 -0.05 0.00 -0.01 0.00 0.00 64.34 64.30 2pqj n VAL 205 Cb 0.60 -0.79 0.01 0.00 -0.91 0.00 0.00 33.84 32.75 2pqj n VAL 205 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pqj h GLU 207 N -0.14 0.00 -0.09 0.00 4.39 -1.23 -2.31 114.58 115.19 2pqj h GLU 207 Ca 0.21 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 2pqj h GLU 207 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2pqj h GLU 207 CO -0.54 0.11 -0.09 0.78 -1.16 0.00 0.00 179.01 178.11 2pqj h GLY 208 N 1.89 0.25 0.99 -3.84 0.00 -0.21 -2.03 103.07 100.12 2pqj h GLY 208 Ca -0.00 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2pqj h GLY 208 CO 0.01 0.23 0.50 1.41 0.00 0.00 0.00 176.54 178.69 2pqj h LEU 209 N -0.19 0.86 0.46 3.11 3.38 -0.61 -3.22 115.31 119.10 2pqj h LEU 209 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2pqj h LEU 209 Cb 0.61 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2pqj h LEU 209 CO 0.02 0.62 -0.22 0.03 0.09 0.00 0.00 178.44 178.98 2pqj h ARG 210 N 1.01 -0.59 -5.11 1.13 3.08 -1.42 -3.40 114.38 109.08 2pqj h ARG 210 Ca 0.28 0.04 -0.62 0.00 0.07 0.00 0.00 59.98 59.75 2pqj h ARG 210 Cb -0.10 0.13 -0.15 0.00 0.08 0.00 0.00 29.97 29.94 2pqj h ARG 210 CO -0.07 -0.40 -0.37 -0.06 -1.07 0.00 0.00 179.97 178.01 2pqj s PHE 211 N -4.04 3.28 0.50 3.04 0.40 -0.77 0.20 117.98 120.58 2pqj s PHE 211 Ca -0.09 0.32 0.39 0.00 -0.60 0.00 0.00 56.93 56.95 2pqj s PHE 211 Cb 0.01 -2.44 2.02 0.00 0.51 0.00 0.00 43.02 43.12 2pqj s PHE 211 CO 0.27 -0.10 2.24 -0.91 0.70 0.00 0.00 175.22 177.41 2pqj h ASN 212 N 7.94 0.00 0.13 1.36 2.35 -0.95 0.21 115.58 126.61 2pqj h ASN 212 Ca -0.35 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.28 2pqj h ASN 212 Cb 1.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 2pqj h ASN 212 CO 0.63 0.02 -0.45 0.00 -1.65 0.00 0.00 177.43 175.98 2pqj h THR 213 N 0.00 1.32 0.07 2.81 1.03 -1.51 -3.11 112.91 113.52 2pqj h THR 213 Ca -0.00 -1.63 -0.24 0.00 -0.01 0.00 0.00 66.41 64.53 2pqj h THR 213 Cb 0.16 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 68.92 2pqj h THR 213 CO 0.00 0.50 -1.26 0.58 -0.01 0.00 0.00 175.52 175.33 2pqj h VAL 214 N 0.31 1.06 -0.07 0.00 2.07 -1.30 -3.26 116.25 115.06 2pqj h VAL 214 Ca 0.02 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 65.18 2pqj h VAL 214 Cb 0.91 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 2pqj h VAL 214 CO 0.08 0.61 -0.09 0.77 0.02 0.00 0.00 177.57 178.95 2pqj h SER 215 N -0.53 0.10 0.05 0.57 4.64 -1.17 -2.18 113.55 115.02 2pqj h SER 215 Ca -0.29 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 60.74 2pqj h SER 215 Cb 1.58 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 63.67 2pqj h SER 215 CO -0.01 0.21 -1.11 0.03 -0.87 0.00 0.00 176.83 175.07 2pqj h ARG 216 N 0.10 0.67 -0.01 4.77 2.47 -1.70 -2.40 114.38 118.28 2pqj h ARG 216 Ca 0.02 -0.78 -0.00 0.00 -1.26 0.00 0.00 59.98 57.96 2pqj h ARG 216 Cb 0.24 0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2pqj h ARG 216 CO 0.01 1.35 0.00 1.15 0.56 0.00 0.00 179.97 183.04 2pqj h THR 217 N 0.33 1.15 0.36 2.04 2.02 -1.56 -2.28 112.91 114.97 2pqj h THR 217 Ca -0.15 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2pqj h THR 217 Cb 1.78 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 2pqj h THR 217 CO 0.22 0.12 -0.18 0.58 0.37 0.00 0.00 175.52 176.62 2pqj h VAL 218 N -0.17 0.00 -0.91 3.16 2.07 -1.49 -2.89 116.25 116.01 2pqj h VAL 218 Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 2pqj h VAL 218 Cb 0.19 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.80 2pqj h VAL 218 CO -0.00 0.00 0.07 -0.78 0.02 0.00 0.00 177.57 176.88 2pqj h ASP 219 N -0.49 -0.34 0.40 0.57 3.58 -1.51 0.57 116.42 119.18 2pqj h ASP 219 Ca -0.05 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2pqj h ASP 219 Cb 0.38 0.41 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2pqj h ASP 219 CO 0.07 -0.27 0.00 0.00 -2.88 0.00 0.00 179.24 176.16 2pqj n ALA 220 N -3.00 1.38 -1.66 -0.78 0.00 -0.86 -2.45 120.51 113.14 2pqj n ALA 220 Ca 0.21 0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.81 2pqj n ALA 220 Cb 0.68 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.82 2pqj n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pqj n GLY 221 N -0.60 1.70 0.20 0.00 0.00 0.15 -4.90 105.19 101.75 2pqj n GLY 221 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 2pqj n GLY 221 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pqj h PHE 222 N 0.00 0.42 -2.98 1.61 -0.00 0.13 -3.26 116.94 112.87 2pqj h PHE 222 Ca 0.00 0.02 -0.81 0.00 -0.00 0.00 0.00 57.97 57.19 2pqj h PHE 222 Cb 1.25 -0.12 -0.27 0.00 -0.00 0.00 0.00 35.95 36.81 2pqj h PHE 222 CO 0.07 0.19 0.77 0.09 -0.00 0.00 0.00 178.31 179.43 2pqj n ASN 223 N -4.92 6.20 0.00 0.41 3.02 -1.26 -0.22 115.26 118.49 2pqj n ASN 223 Ca 0.04 -3.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 2pqj n ASN 223 Cb 0.14 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 2pqj n ASN 223 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2pqj n SER 224 N 1.71 0.00 -0.33 6.41 7.64 -1.23 -5.06 113.62 122.76 2pqj n SER 224 Ca 0.26 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.19 2pqj n SER 224 Cb 0.34 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.66 2pqj n SER 224 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pqj n GLN 225 N 0.00 2.60 -4.37 1.43 0.00 -1.26 -4.92 117.38 110.86 2pqj n GLN 225 Ca 0.00 -2.09 -0.23 0.00 0.00 0.00 0.00 57.00 54.69 2pqj n GLN 225 Cb 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 30.24 28.80 2pqj n GLN 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2pqj s VAL 228 N -1.68 1.47 0.18 -0.39 0.11 -0.87 -5.01 120.40 114.21 2pqj s VAL 228 Ca 0.20 -1.30 -0.00 0.00 -2.93 0.00 0.00 61.98 57.95 2pqj s VAL 228 Cb 0.15 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 2pqj s VAL 228 CO 0.06 -0.00 0.08 0.42 -3.33 0.00 0.00 175.10 172.33 2pqj s THR 229 N -1.02 0.19 0.20 5.04 -4.23 -1.26 -1.89 115.64 112.68 2pqj s THR 229 Ca 0.04 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2pqj s THR 229 Cb -0.09 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 2pqj s THR 229 CO 0.03 -0.23 0.53 -0.76 -0.54 0.00 0.00 174.62 173.65 2pqj s LEU 230 N -3.14 4.22 0.59 4.79 1.43 -1.26 -4.97 118.68 120.33 2pqj s LEU 230 Ca 0.31 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 2pqj s LEU 230 Cb 0.07 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 2pqj s LEU 230 CO 0.07 -0.02 1.05 0.42 0.23 0.00 0.00 176.35 178.11 2pqj s THR 231 N -1.72 3.87 0.21 5.49 -4.23 -1.26 -4.30 115.64 113.70 2pqj s THR 231 Ca 0.44 0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 61.73 2pqj s THR 231 Cb -0.12 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.48 2pqj s THR 231 CO 0.21 -0.53 1.68 0.58 -0.54 0.00 0.00 174.62 176.02 2pqj h VAL 232 N 0.47 0.57 -0.49 2.29 2.07 -1.97 0.16 116.25 119.34 2pqj h VAL 232 Ca -0.47 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.09 2pqj h VAL 232 Cb 1.22 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 2pqj h VAL 232 CO 0.58 0.03 -0.00 0.74 0.02 0.00 0.00 177.57 178.93 2pqj h THR 233 N 0.16 0.61 0.65 2.57 2.02 -1.96 -1.62 112.91 115.34 2pqj h THR 233 Ca 0.30 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.42 2pqj h THR 233 Cb 0.47 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2pqj h THR 233 CO -0.46 0.02 -0.38 1.56 0.37 0.00 0.00 175.52 176.63 2pqj h GLN 234 N 0.11 -0.93 -0.81 6.66 4.20 -1.24 -2.27 115.11 120.84 2pqj h GLN 234 Ca 0.25 0.06 0.07 0.00 0.06 0.00 0.00 58.65 59.09 2pqj h GLN 234 Cb 0.37 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 28.27 2pqj h GLN 234 CO -0.41 -0.62 -0.48 0.41 -0.67 0.00 0.00 178.83 177.06 2pqj n GLY 235 N -1.52 -2.31 0.17 3.46 0.00 0.31 0.14 105.19 105.43 2pqj n GLY 235 Ca -0.13 1.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.84 2pqj n GLY 235 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqj h LYS 236 N 0.00 0.22 -0.26 1.61 1.57 -1.35 -1.76 116.57 116.61 2pqj h LYS 236 Ca 0.13 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 2pqj h LYS 236 Cb 0.33 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.52 2pqj h LYS 236 CO -0.76 0.14 -0.33 1.96 -0.57 0.00 0.00 179.45 179.90 2pqj h GLN 237 N 0.22 -0.32 -0.99 3.15 4.20 0.31 0.54 115.11 122.23 2pqj h GLN 237 Ca 0.20 0.02 0.20 0.00 0.06 0.00 0.00 58.65 59.13 2pqj h GLN 237 Cb 0.23 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.98 2pqj h GLN 237 CO -0.25 -0.21 0.62 0.28 -0.67 0.00 0.00 178.83 178.60 2pqj h VAL 238 N -0.33 0.68 -0.01 -0.54 2.07 0.25 0.46 116.25 118.83 2pqj h VAL 238 Ca 0.13 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2pqj h VAL 238 Cb 0.54 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2pqj h VAL 238 CO -0.44 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.27 2pqj n GLN 239 N -4.70 1.02 -0.11 1.57 6.02 0.13 -2.89 117.38 118.42 2pqj n GLN 239 Ca 0.23 -0.03 0.05 0.00 -0.01 0.00 0.00 57.00 57.24 2pqj n GLN 239 Cb 0.63 -1.27 0.11 0.00 1.02 0.00 0.00 30.24 30.73 2pqj n GLN 239 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pqj n LYS 240 N -0.73 2.43 -0.35 -1.09 4.76 0.16 -4.79 118.16 118.55 2pqj n LYS 240 Ca 0.13 -2.11 0.10 0.00 -2.87 0.00 0.00 58.31 53.55 2pqj n LYS 240 Cb 0.07 -1.32 0.20 0.00 -1.84 0.00 0.00 35.03 32.14 2pqj n LYS 240 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2pqj n TRP 241 N -0.63 0.47 -0.14 2.13 -0.00 -1.14 -0.70 117.44 117.43 2pqj n TRP 241 Ca 0.10 1.20 -0.11 0.00 -0.00 0.00 0.00 57.50 58.70 2pqj n TRP 241 Cb 0.49 -1.15 -0.01 0.00 -0.00 0.00 0.00 31.31 30.64 2pqj n TRP 241 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 2pqj h ASP 242 N 0.00 0.77 0.56 5.87 1.82 -1.89 -2.24 116.42 121.29 2pqj h ASP 242 Ca 0.53 -0.34 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 2pqj h ASP 242 Cb 0.94 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.75 2pqj h ASP 242 CO -0.98 0.93 -0.27 0.03 -1.61 0.00 0.00 179.24 177.34 2pqj h ARG 243 N 0.59 -0.72 -1.05 0.28 2.47 -1.27 -2.36 114.38 112.32 2pqj h ARG 243 Ca 0.11 0.05 0.27 0.00 -1.26 0.00 0.00 59.98 59.15 2pqj h ARG 243 Cb 0.58 0.16 -0.09 0.00 -1.65 0.00 0.00 29.97 28.97 2pqj h ARG 243 CO 0.03 -0.45 0.69 0.82 0.56 0.00 0.00 179.97 181.62 2pqj h ILE 244 N -0.81 0.51 -0.42 2.04 2.04 -1.13 0.37 117.51 120.11 2pqj h ILE 244 Ca -0.08 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 2pqj h ILE 244 Cb 0.60 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2pqj h ILE 244 CO 0.13 0.06 -0.28 0.28 0.00 0.00 0.00 178.15 178.33 2pqj h SER 245 N 0.34 0.95 0.36 1.72 0.02 -1.14 -1.66 113.55 114.14 2pqj h SER 245 Ca 0.58 -0.39 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2pqj h SER 245 Cb 1.58 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2pqj h SER 245 CO -0.26 1.17 -0.17 0.11 -1.14 0.00 0.00 176.83 176.53 2pqj h LYS 246 N 0.78 0.00 -0.08 3.45 1.57 0.23 0.49 116.57 123.00 2pqj h LYS 246 Ca 0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 2pqj h LYS 246 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2pqj h LYS 246 CO 0.08 0.17 -0.67 0.00 -0.57 0.00 0.00 179.45 178.46 2pqj h ALA 247 N 1.83 0.70 0.44 3.86 0.00 -0.72 -1.58 119.26 123.78 2pqj h ALA 247 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2pqj h ALA 247 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pqj h ALA 247 CO 0.02 0.75 -0.21 0.00 0.00 0.00 0.00 179.25 179.81 2pqj h ALA 248 N 1.04 -0.59 0.00 0.00 0.00 -0.01 0.17 119.26 119.87 2pqj h ALA 248 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2pqj h ALA 248 Cb 1.21 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2pqj h ALA 248 CO 0.11 -0.80 -0.17 0.74 0.00 0.00 0.00 179.25 179.13 2pqj h PHE 249 N -0.65 0.00 0.00 0.00 -1.00 -1.33 -2.33 116.94 111.63 2pqj h PHE 249 Ca -0.06 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.61 2pqj h PHE 249 Cb 0.48 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 2pqj h PHE 249 CO -0.03 0.17 -0.54 1.49 -1.61 0.00 0.00 178.31 177.79 2pqj h GLU 250 N 0.00 0.00 -0.50 1.51 4.81 -0.78 -3.12 114.58 116.50 2pqj h GLU 250 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pqj h GLU 250 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2pqj h GLU 250 CO 0.02 0.54 0.00 0.91 -0.73 0.00 0.00 179.01 179.75 2pqj n TRP 251 N -3.30 0.63 0.21 0.92 8.01 0.54 -2.20 117.44 122.25 2pqj n TRP 251 Ca 0.01 -0.26 0.06 0.00 -1.31 0.00 0.00 57.50 56.00 2pqj n TRP 251 Cb 0.71 -0.10 0.10 0.00 -2.01 0.00 0.00 31.31 30.01 2pqj n TRP 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2pqj n ALA 252 N 0.42 2.36 0.00 6.99 0.00 -1.18 -3.35 120.51 125.75 2pqj n ALA 252 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2pqj n ALA 252 Cb 0.42 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2pqj n ALA 252 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pqj n ASP 253 N 0.63 2.63 -2.87 0.00 10.43 -1.12 -4.81 116.55 121.44 2pqj n ASP 253 Ca 0.09 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.33 2pqj n ASP 253 Cb 0.36 0.46 0.02 0.00 1.84 0.00 0.00 41.12 43.79 2pqj n ASP 253 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 2pqj n HIS 254 N -0.92 0.40 0.12 1.24 8.25 -0.93 -4.98 115.22 118.40 2pqj n HIS 254 Ca 0.00 -3.10 0.04 0.00 -0.26 0.00 0.00 57.72 54.40 2pqj n HIS 254 Cb 0.07 -0.19 0.06 0.00 1.12 0.00 0.00 29.99 31.04 2pqj n HIS 254 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2pqj n PRO 255 N 0.05 0.02 0.01 -0.41 -0.02 -1.21 0.83 135.00 134.27 2pqj n PRO 255 Ca 0.14 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 61.98 2pqj n PRO 255 Cb 0.76 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.60 2pqj n PRO 255 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2pqj h THR 256 N 0.00 0.67 -0.96 3.45 1.35 -1.94 -3.43 112.91 112.05 2pqj h THR 256 Ca 0.07 -2.38 -0.38 0.00 -0.55 0.00 0.00 66.41 63.17 2pqj h THR 256 Cb 1.29 2.53 0.19 0.00 -1.73 0.00 0.00 68.15 70.43 2pqj h THR 256 CO -0.00 0.88 -1.85 0.00 -0.25 0.00 0.00 175.52 174.30 2pqj n ALA 257 N -2.96 -4.45 -3.57 6.62 0.00 0.24 -4.86 120.51 111.53 2pqj n ALA 257 Ca -0.30 -0.88 -0.40 0.00 0.00 0.00 0.00 53.44 51.85 2pqj n ALA 257 Cb 1.05 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2pqj n ALA 257 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pqj s VAL 258 N -1.48 4.55 -0.89 0.00 1.01 -1.26 -4.95 120.40 117.38 2pqj s VAL 258 Ca 0.28 -3.08 -0.22 0.00 0.00 0.00 0.00 61.98 58.95 2pqj s VAL 258 Cb 0.02 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.61 2pqj s VAL 258 CO 0.53 -0.99 1.24 -0.63 0.00 0.00 0.00 175.10 175.24 2pqj s ILE 259 N -0.40 4.24 0.59 2.22 1.01 -1.26 -4.87 121.20 122.73 2pqj s ILE 259 Ca 0.21 -0.83 0.29 0.00 0.00 0.00 0.00 60.65 60.32 2pqj s ILE 259 Cb -0.14 -4.88 0.38 0.00 0.01 0.00 0.00 42.46 37.83 2pqj s ILE 259 CO -0.07 -1.70 1.89 1.55 0.00 0.00 0.00 174.94 176.60 2pqj h PRO 260 N 9.46 0.00 -0.49 2.79 0.13 -1.96 0.13 132.00 142.05 2pqj h PRO 260 Ca 0.04 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.19 2pqj h PRO 260 Cb 1.03 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2pqj h PRO 260 CO 1.26 0.00 0.30 -0.44 -0.23 0.00 0.00 178.00 178.89 2pqj h ASP 261 N 0.00 0.51 -0.01 1.44 3.45 -1.98 0.68 116.42 120.51 2pqj h ASP 261 Ca 0.21 -0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.43 2pqj h ASP 261 Cb 1.18 -0.11 0.02 0.00 -0.56 0.00 0.00 39.33 39.86 2pqj h ASP 261 CO -0.00 0.36 -0.90 0.24 -1.57 0.00 0.00 179.24 177.37 2pqj h MET 262 N 0.61 0.64 -0.62 3.56 2.86 -1.08 -3.18 114.93 117.71 2pqj h MET 262 Ca 0.19 -0.67 0.13 0.00 -2.06 0.00 0.00 59.70 57.29 2pqj h MET 262 Cb -0.02 0.18 -0.10 0.00 0.06 0.00 0.00 31.60 31.73 2pqj h MET 262 CO -0.07 1.26 0.05 1.96 1.06 0.00 0.00 176.91 181.17 2pqj h GLN 263 N 0.28 0.16 0.00 1.72 1.08 -0.89 0.11 115.11 117.57 2pqj h GLN 263 Ca -0.11 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2pqj h GLN 263 Cb 1.57 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.96 2pqj h GLN 263 CO 0.18 0.10 -0.04 0.87 -0.95 0.00 0.00 178.83 178.99 2pqj h LYS 264 N 0.16 0.00 -0.00 1.46 1.79 -0.88 -2.15 116.57 116.94 2pqj h LYS 264 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2pqj h LYS 264 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2pqj h LYS 264 CO -0.49 0.04 -0.68 1.28 -1.08 0.00 0.00 179.45 178.52 2pqj n LEU 265 N -3.45 0.80 0.00 2.94 4.77 0.25 -4.94 117.00 117.38 2pqj n LEU 265 Ca -0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2pqj n LEU 265 Cb 0.16 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2pqj n LEU 265 CO 0.26 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2pqj n GLY 266 N 1.49 1.06 3.25 -0.72 0.00 -0.77 -4.93 105.19 104.56 2pqj n GLY 266 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2pqj n GLY 266 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqj s ILE 267 N -2.00 4.79 0.01 -0.61 1.01 -0.38 -4.99 121.20 119.04 2pqj s ILE 267 Ca 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 60.65 58.38 2pqj s ILE 267 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2pqj s ILE 267 CO 0.00 -0.90 1.07 0.11 0.00 0.00 0.00 174.94 175.22 2pqj h LYS 268 N 8.00 -0.09 0.00 2.79 6.56 -1.88 -3.25 116.57 128.69 2pqj h LYS 268 Ca -0.07 0.01 -0.27 0.00 -1.06 0.00 0.00 60.65 59.25 2pqj h LYS 268 Cb 1.04 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.66 2pqj h LYS 268 CO 0.82 -0.06 -0.22 -0.40 -2.06 0.00 0.00 179.45 177.53 2pqj n ASP 269 N -2.82 1.28 0.17 0.86 5.68 -1.26 -4.75 116.55 115.71 2pqj n ASP 269 Ca -0.01 -2.05 0.13 0.00 -0.50 0.00 0.00 54.79 52.36 2pqj n ASP 269 Cb 0.05 0.46 0.68 0.00 -1.14 0.00 0.00 41.12 41.17 2pqj n ASP 269 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2pqj h LYS 270 N 0.00 0.00 0.10 0.11 5.09 -1.91 -2.59 116.57 117.36 2pqj h LYS 270 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.58 2pqj h LYS 270 Cb 0.59 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.92 2pqj h LYS 270 CO 0.25 0.00 -0.06 -0.97 -2.09 0.00 0.00 179.45 176.58 2pqj h ASN 271 N 0.00 -0.15 0.00 7.07 -1.24 -1.95 -1.37 115.58 117.94 2pqj h ASN 271 Ca 0.09 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2pqj h ASN 271 Cb 0.37 0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2pqj h ASN 271 CO -0.00 -0.09 0.07 1.21 -1.29 0.00 0.00 177.43 177.32 2pqj n GLU 272 N -2.54 0.00 -0.08 6.67 2.13 -1.00 -0.19 120.64 125.64 2pqj n GLU 272 Ca -0.02 0.37 -0.08 0.00 0.66 0.00 0.00 57.16 58.09 2pqj n GLU 272 Cb 0.06 -1.57 -0.15 0.00 0.27 0.00 0.00 31.44 30.05 2pqj n GLU 272 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pqj n ALA 273 N -1.36 1.61 0.28 4.31 0.00 -1.06 -3.82 120.51 120.47 2pqj n ALA 273 Ca 0.00 -1.16 0.16 0.00 0.00 0.00 0.00 53.44 52.44 2pqj n ALA 273 Cb 0.07 -0.36 0.80 0.00 0.00 0.00 0.00 19.45 19.96 2pqj n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqj h ALA 274 N 1.09 1.11 0.00 0.00 0.00 0.58 -1.83 119.26 120.22 2pqj h ALA 274 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2pqj h ALA 274 Cb 2.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2pqj h ALA 274 CO 0.04 0.08 -1.36 2.89 0.00 0.00 0.00 179.25 180.90 2pqj n ARG 275 N -3.33 0.33 -0.03 0.00 1.85 -1.15 -4.41 116.66 109.92 2pqj n ARG 275 Ca -0.01 -0.07 -0.22 0.00 -1.00 0.00 0.00 57.85 56.55 2pqj n ARG 275 Cb 0.24 -1.54 -0.13 0.00 -1.05 0.00 0.00 32.46 29.98 2pqj n ARG 275 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2pqj h ILE 276 N 0.00 0.83 -3.26 8.89 2.04 -1.55 -3.38 117.51 121.08 2pqj h ILE 276 Ca 0.00 -2.31 -0.62 0.00 1.00 0.00 0.00 64.86 62.94 2pqj h ILE 276 Cb 0.75 2.48 -0.15 0.00 -0.74 0.00 0.00 36.82 39.16 2pqj h ILE 276 CO 0.00 0.66 -0.54 0.68 0.00 0.00 0.00 178.15 178.95 2pqj s VAL 277 N -2.47 4.94 -0.11 1.67 -7.23 -0.73 -0.39 120.40 116.09 2pqj s VAL 277 Ca -0.24 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 59.75 2pqj s VAL 277 Cb 0.06 -3.23 -0.17 0.00 0.56 0.00 0.00 36.38 33.60 2pqj s VAL 277 CO 0.71 0.47 0.63 0.00 -0.31 0.00 0.00 175.10 176.60 2pqj h ALA 278 N 6.58 -0.04 -0.63 1.32 0.00 0.19 -3.44 119.26 123.25 2pqj h ALA 278 Ca -0.39 -0.31 -0.67 0.00 0.00 0.00 0.00 54.91 53.54 2pqj h ALA 278 Cb 1.17 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 2pqj h ALA 278 CO 0.71 -0.07 -0.53 -0.51 0.00 0.00 0.00 179.25 178.85 2pqj s LEU 279 N -8.50 2.42 0.18 0.00 1.43 -1.01 -4.28 118.68 108.92 2pqj s LEU 279 Ca -0.13 -1.59 -0.09 0.00 -1.03 0.00 0.00 54.13 51.29 2pqj s LEU 279 Cb -0.01 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2pqj s LEU 279 CO 0.48 -0.78 0.29 0.68 0.23 0.00 0.00 176.35 177.26 2pqj s VAL 280 N -2.84 0.05 0.59 -1.59 -7.23 -1.10 -4.91 120.40 103.38 2pqj s VAL 280 Ca 0.12 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 2pqj s VAL 280 Cb 0.03 -1.95 0.07 0.00 0.56 0.00 0.00 36.38 35.09 2pqj s VAL 280 CO 0.06 -0.23 0.82 -0.75 -0.31 0.00 0.00 175.10 174.69 2pqj s LYS 281 N -3.99 2.26 0.00 4.82 2.20 -1.26 -1.29 119.74 122.48 2pqj s LYS 281 Ca 0.20 -1.08 0.09 0.00 -0.36 0.00 0.00 55.97 54.82 2pqj s LYS 281 Cb 0.03 -2.49 0.07 0.00 -1.51 0.00 0.00 37.83 33.93 2pqj s LYS 281 CO 0.02 -0.92 0.79 0.27 -0.36 0.00 0.00 175.35 175.15