#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bnj s THR 38 N 0.00 2.28 -2.06 0.58 -4.23 -1.26 -4.97 115.64 105.98 3bnj s THR 38 Ca 0.00 -0.67 0.25 0.00 -1.18 0.00 0.00 61.69 60.09 3bnj s THR 38 Cb 0.00 -2.62 0.67 0.00 1.34 0.00 0.00 72.50 71.90 3bnj s THR 38 CO 0.00 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 175.98 3bnj n ALA 39 N -2.62 2.63 -2.62 3.99 0.00 -1.26 -3.72 120.51 116.90 3bnj n ALA 39 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 3bnj n ALA 39 Cb 0.60 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.73 3bnj n ALA 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3bnj n HIS 40 N -0.71 1.67 0.30 0.00 1.44 -1.26 -4.94 115.22 111.73 3bnj n HIS 40 Ca 0.18 -2.40 0.18 0.00 -2.01 0.00 0.00 57.72 53.67 3bnj n HIS 40 Cb 0.13 -0.27 0.89 0.00 0.12 0.00 0.00 29.99 30.85 3bnj n HIS 40 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3bnj h SER 41 N 2.63 0.00 -0.07 4.39 4.64 -1.70 0.71 113.55 124.16 3bnj h SER 41 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3bnj h SER 41 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3bnj h SER 41 CO 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 3bnj n GLN 42 N -2.90 1.91 0.00 4.77 3.00 -1.26 -4.77 117.38 118.13 3bnj n GLN 42 Ca -0.01 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 3bnj n GLN 42 Cb 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.94 3bnj n GLN 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bnj n GLY 43 N 1.24 1.12 3.17 1.08 0.00 0.24 -4.96 105.19 107.08 3bnj n GLY 43 Ca 0.17 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 3bnj n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bnj s ILE 44 N -1.53 2.37 0.09 -0.61 1.01 -1.23 -4.88 121.20 116.41 3bnj s ILE 44 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 60.65 59.50 3bnj s ILE 44 Cb 0.00 -2.01 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 3bnj s ILE 44 CO 0.00 0.52 1.54 -0.70 0.00 0.00 0.00 174.94 176.30 3bnj s GLU 45 N 1.25 4.24 -0.38 2.79 2.12 -1.26 -2.13 118.70 125.33 3bnj s GLU 45 Ca 0.03 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.60 3bnj s GLU 45 Cb -0.14 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.84 3bnj s GLU 45 CO -0.09 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 3bnj n GLY 46 N 3.79 0.43 0.50 -1.50 0.00 -1.26 -4.94 105.19 102.21 3bnj n GLY 46 Ca 0.14 -0.80 0.33 0.00 0.00 0.00 0.00 46.02 45.69 3bnj n GLY 46 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bnj h LYS 47 N 0.00 0.11 0.00 1.61 2.10 -1.83 0.88 116.57 119.44 3bnj h LYS 47 Ca -0.09 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 3bnj h LYS 47 Cb 0.69 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3bnj h LYS 47 CO 0.11 0.07 -0.06 0.00 -2.00 0.00 0.00 179.45 177.58 3bnj h ALA 48 N 1.46 1.05 -2.25 0.07 0.00 -1.88 -3.40 119.26 114.31 3bnj h ALA 48 Ca 0.62 -0.05 -0.63 0.00 0.00 0.00 0.00 54.91 54.84 3bnj h ALA 48 Cb 2.18 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.83 3bnj h ALA 48 CO -0.12 0.07 0.19 -1.64 0.00 0.00 0.00 179.25 177.76 3bnj s MET 49 N -3.82 3.58 0.57 0.00 -1.94 0.30 -4.63 119.30 113.37 3bnj s MET 49 Ca -0.00 -0.01 0.25 0.00 -1.71 0.00 0.00 55.69 54.21 3bnj s MET 49 Cb 0.10 -3.85 1.64 0.00 2.01 0.00 0.00 34.83 34.73 3bnj s MET 49 CO 0.55 -0.85 2.22 0.77 -0.01 0.00 0.00 175.02 177.70 3bnj h SER 50 N 8.60 0.00 -0.02 3.03 0.02 -1.84 -0.23 113.55 123.12 3bnj h SER 50 Ca -0.26 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3bnj h SER 50 Cb 1.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3bnj h SER 50 CO 0.87 0.00 0.03 1.05 -1.14 0.00 0.00 176.83 177.64 3bnj h GLU 51 N 0.00 0.00 0.00 3.45 9.09 -1.92 0.29 114.58 125.49 3bnj h GLU 51 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3bnj h GLU 51 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3bnj h GLU 51 CO -0.00 0.00 0.00 0.93 0.05 0.00 0.00 179.01 179.99 3bnj h GLU 52 N 0.00 0.00 0.00 1.06 4.39 -1.31 -2.69 114.58 116.04 3bnj h GLU 52 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3bnj h GLU 52 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3bnj h GLU 52 CO -0.00 0.00 -0.87 0.91 -1.16 0.00 0.00 179.01 177.89 3bnj n TRP 53 N -2.73 0.25 0.14 4.33 7.02 0.09 -4.27 117.44 122.26 3bnj n TRP 53 Ca 0.01 0.07 0.06 0.00 -1.02 0.00 0.00 57.50 56.62 3bnj n TRP 53 Cb 0.27 -0.41 0.54 0.00 -2.42 0.00 0.00 31.31 29.29 3bnj n TRP 53 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3bnj h ALA 54 N 2.65 1.86 0.00 6.99 0.00 -1.50 -1.24 119.26 128.02 3bnj h ALA 54 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3bnj h ALA 54 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3bnj h ALA 54 CO 0.00 0.13 -0.21 0.07 0.00 0.00 0.00 179.25 179.24 3bnj h ARG 55 N 0.26 0.00 0.03 0.00 0.11 -1.77 -2.61 114.38 110.40 3bnj h ARG 55 Ca 0.07 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.80 3bnj h ARG 55 Cb -0.02 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.01 3bnj h ARG 55 CO -0.01 0.21 -2.13 0.66 0.10 0.00 0.00 179.97 178.80 3bnj n TYR 56 N -3.64 0.56 -3.18 4.08 4.01 -0.60 -4.72 117.16 113.67 3bnj n TYR 56 Ca -0.01 0.16 -0.23 0.00 -0.16 0.00 0.00 57.90 57.66 3bnj n TYR 56 Cb 0.34 -1.09 -0.05 0.00 -0.31 0.00 0.00 39.34 38.23 3bnj n TYR 56 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3bnj n TYR 57 N -3.11 1.21 0.14 -0.72 4.01 -0.57 -4.95 117.16 113.17 3bnj n TYR 57 Ca -0.31 -3.82 0.06 0.00 -0.16 0.00 0.00 57.90 53.66 3bnj n TYR 57 Cb 1.07 -0.43 0.52 0.00 -0.31 0.00 0.00 39.34 40.19 3bnj n TYR 57 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3bnj h PRO 58 N 3.49 0.23 0.06 -0.72 0.13 -1.72 -0.96 132.00 132.51 3bnj h PRO 58 Ca 0.11 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3bnj h PRO 58 Cb 0.81 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3bnj h PRO 58 CO 0.59 0.19 -0.03 -0.09 -0.23 0.00 0.00 178.00 178.44 3bnj h ARG 59 N 0.23 -0.08 -0.43 0.86 9.65 -1.92 -0.77 114.38 121.92 3bnj h ARG 59 Ca 0.06 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.88 3bnj h ARG 59 Cb 0.05 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 3bnj h ARG 59 CO -0.01 0.39 -0.02 1.96 2.80 0.00 0.00 179.97 185.09 3bnj h GLN 60 N -0.59 0.71 -0.52 0.20 7.50 -1.86 -1.72 115.11 118.83 3bnj h GLN 60 Ca -0.01 -0.19 -0.00 0.00 0.50 0.00 0.00 58.65 58.95 3bnj h GLN 60 Cb 0.51 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.93 3bnj h GLN 60 CO 0.01 0.74 0.32 0.35 -1.50 0.00 0.00 178.83 178.76 3bnj h PHE 61 N 0.66 0.68 -0.48 2.96 3.57 -1.13 0.62 116.94 123.82 3bnj h PHE 61 Ca 0.13 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3bnj h PHE 61 Cb 0.45 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3bnj h PHE 61 CO 0.02 0.47 0.18 0.22 -2.23 0.00 0.00 178.31 176.97 3bnj h ASP 62 N 0.70 0.67 -0.13 0.41 3.58 -0.70 -1.23 116.42 119.73 3bnj h ASP 62 Ca 0.19 -0.18 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 3bnj h ASP 62 Cb -0.03 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.85 3bnj h ASP 62 CO -0.04 0.67 -0.65 0.77 -2.88 0.00 0.00 179.24 177.11 3bnj h SER 63 N 0.64 0.86 -0.82 2.28 4.64 -1.20 -3.00 113.55 116.94 3bnj h SER 63 Ca 0.16 -0.51 0.09 0.00 -0.47 0.00 0.00 61.79 61.06 3bnj h SER 63 Cb 0.21 -0.25 -0.07 0.00 -0.31 0.00 0.00 62.40 61.98 3bnj h SER 63 CO -0.01 1.29 0.47 -0.25 -0.87 0.00 0.00 176.83 177.45 3bnj h TRP 64 N 0.54 0.85 0.00 4.77 7.01 -0.70 -1.40 115.95 127.02 3bnj h TRP 64 Ca -0.02 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 3bnj h TRP 64 Cb 1.26 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 28.05 3bnj h TRP 64 CO 0.07 0.35 -0.08 -0.22 -2.79 0.00 0.00 178.44 175.77 3bnj h LYS 65 N 0.79 0.00 0.00 2.65 3.64 -1.09 -2.96 116.57 119.59 3bnj h LYS 65 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3bnj h LYS 65 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3bnj h LYS 65 CO -0.24 0.08 0.00 1.63 -2.27 0.00 0.00 179.45 178.65 3bnj n LYS 66 N -3.32 0.26 0.03 1.90 5.02 -0.54 -1.81 118.16 119.70 3bnj n LYS 66 Ca -0.01 0.11 0.05 0.00 -2.02 0.00 0.00 58.31 56.45 3bnj n LYS 66 Cb 0.28 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.03 3bnj n LYS 66 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3bnj n THR 67 N -1.29 1.33 0.04 -0.18 -2.24 -1.12 -0.77 114.28 110.05 3bnj n THR 67 Ca 0.09 0.37 0.21 0.00 -2.27 0.00 0.00 64.05 62.45 3bnj n THR 67 Cb 0.15 -1.24 0.73 0.00 -2.10 0.00 0.00 70.33 67.87 3bnj n THR 67 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3bnj h LYS 68 N 0.00 0.00 0.00 -0.78 3.64 -1.63 -1.75 116.57 116.05 3bnj h LYS 68 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3bnj h LYS 68 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3bnj h LYS 68 CO 0.00 0.00 -0.22 0.93 -2.27 0.00 0.00 179.45 177.89 3bnj h GLU 69 N 0.00 0.00 -4.50 1.90 5.08 -1.21 -3.33 114.58 112.52 3bnj h GLU 69 Ca 0.23 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.85 3bnj h GLU 69 Cb 1.11 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.16 3bnj h GLU 69 CO -0.00 0.22 1.04 0.45 -1.00 0.00 0.00 179.01 179.72 3bnj s SER 70 N -6.46 7.06 0.00 1.42 0.15 -0.66 -4.76 113.70 110.46 3bnj s SER 70 Ca -0.02 -2.99 0.13 0.00 0.70 0.00 0.00 55.95 53.76 3bnj s SER 70 Cb 0.13 -2.35 0.21 0.00 -1.71 0.00 0.00 66.02 62.30 3bnj s SER 70 CO 0.64 -0.68 1.07 -0.90 1.20 0.00 0.00 173.24 174.57 3bnj n ASP 71 N 5.06 2.48 -4.73 5.45 5.75 -1.25 -0.88 116.55 128.43 3bnj n ASP 71 Ca 0.31 -1.73 -0.42 0.00 -0.01 0.00 0.00 54.79 52.95 3bnj n ASP 71 Cb 0.43 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 3bnj n ASP 71 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3bnj s ASN 72 N -1.04 6.84 -0.39 -1.12 2.47 -1.26 -4.98 114.94 115.45 3bnj s ASN 72 Ca 0.20 2.40 -0.13 0.00 0.42 0.00 0.00 52.86 55.76 3bnj s ASN 72 Cb 0.12 -2.60 0.03 0.00 -1.45 0.00 0.00 41.25 37.35 3bnj s ASN 72 CO 0.17 -0.60 0.25 -0.63 -3.72 0.00 0.00 177.10 172.57 3bnj s ILE 73 N 0.49 4.84 -0.34 -5.21 -1.09 -1.26 -4.66 121.20 113.97 3bnj s ILE 73 Ca 0.60 -0.81 -0.11 0.00 -2.23 0.00 0.00 60.65 58.10 3bnj s ILE 73 Cb -0.37 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 3bnj s ILE 73 CO 0.36 -0.28 0.19 -0.89 -1.23 0.00 0.00 174.94 173.09 3bnj s THR 74 N 1.60 4.76 -0.54 2.92 2.01 -1.26 -5.01 115.64 120.13 3bnj s THR 74 Ca 0.03 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 3bnj s THR 74 Cb -0.19 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.84 3bnj s THR 74 CO 0.08 -0.05 1.18 -0.62 -0.69 0.00 0.00 174.62 174.52 3bnj s ASP 75 N 1.62 6.51 0.43 3.53 -1.08 -1.26 -0.72 116.67 125.70 3bnj s ASP 75 Ca 0.04 0.27 0.24 0.00 -0.52 0.00 0.00 52.55 52.58 3bnj s ASP 75 Cb -0.18 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.45 3bnj s ASP 75 CO 0.07 -1.40 1.74 0.24 0.52 0.00 0.00 175.17 176.34 3bnj h MET 76 N 9.49 0.00 -0.03 4.34 2.86 -1.27 -1.89 114.93 128.43 3bnj h MET 76 Ca -0.24 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.27 3bnj h MET 76 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3bnj h MET 76 CO 1.16 0.18 -0.57 -0.07 1.06 0.00 0.00 176.91 178.68 3bnj h LEU 77 N 0.00 0.10 -0.18 1.22 3.38 -1.79 0.29 115.31 118.33 3bnj h LEU 77 Ca -0.00 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 3bnj h LEU 77 Cb 0.87 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.60 3bnj h LEU 77 CO 0.02 0.65 -0.57 0.50 0.09 0.00 0.00 178.44 179.13 3bnj h LYS 78 N 0.07 0.71 -0.32 1.13 3.64 -1.80 -2.73 116.57 117.26 3bnj h LYS 78 Ca -0.00 -0.52 -0.16 0.00 -1.27 0.00 0.00 60.65 58.69 3bnj h LYS 78 Cb 1.03 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3bnj h LYS 78 CO 0.08 1.14 -0.44 0.93 -2.27 0.00 0.00 179.45 178.88 3bnj h GLU 79 N 0.41 0.87 -2.29 1.90 4.39 -1.20 -3.38 114.58 115.27 3bnj h GLU 79 Ca -0.02 -0.50 -0.59 0.00 0.34 0.00 0.00 59.36 58.59 3bnj h GLU 79 Cb 1.19 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.48 3bnj h GLU 79 CO 0.12 1.14 -0.86 1.63 -1.16 0.00 0.00 179.01 179.89 3bnj n LYS 80 N -4.08 1.28 0.29 2.33 4.76 0.10 -4.95 118.16 117.89 3bnj n LYS 80 Ca -0.04 -3.81 0.20 0.00 -2.87 0.00 0.00 58.31 51.79 3bnj n LYS 80 Cb 0.57 -1.76 1.01 0.00 -1.84 0.00 0.00 35.03 33.01 3bnj n LYS 80 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3bnj h PRO 81 N 4.59 0.00 -0.29 1.97 0.13 -1.67 0.12 132.00 136.85 3bnj h PRO 81 Ca 0.16 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.37 3bnj h PRO 81 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3bnj h PRO 81 CO 0.59 0.00 0.22 0.00 -0.23 0.00 0.00 178.00 178.57 3bnj h ALA 82 N 2.01 2.20 -0.10 -0.56 0.00 -1.86 -0.54 119.26 120.41 3bnj h ALA 82 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3bnj h ALA 82 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3bnj h ALA 82 CO 0.00 -0.37 -0.07 -0.07 0.00 0.00 0.00 179.25 178.74 3bnj h LEU 83 N 0.00 0.14 -0.48 0.00 3.38 -1.31 -1.05 115.31 115.97 3bnj h LEU 83 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3bnj h LEU 83 Cb 0.57 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3bnj h LEU 83 CO -0.00 0.23 0.17 0.58 0.09 0.00 0.00 178.44 179.51 3bnj h VAL 84 N 0.15 1.22 -0.52 1.22 2.07 -1.25 0.30 116.25 119.44 3bnj h VAL 84 Ca 0.03 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 3bnj h VAL 84 Cb 0.23 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3bnj h VAL 84 CO 0.01 0.26 0.09 0.58 0.02 0.00 0.00 177.57 178.54 3bnj h VAL 85 N 0.65 1.25 -0.92 2.57 2.07 -1.45 -1.28 116.25 119.13 3bnj h VAL 85 Ca 0.16 -0.93 0.09 0.00 0.82 0.00 0.00 66.70 66.84 3bnj h VAL 85 Cb 0.24 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 3bnj h VAL 85 CO -0.01 0.33 0.59 0.00 0.02 0.00 0.00 177.57 178.51 3bnj h ALA 86 N 0.98 1.58 -0.47 1.67 0.00 -0.89 -2.64 119.26 119.49 3bnj h ALA 86 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bnj h ALA 86 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bnj h ALA 86 CO 0.01 0.24 0.00 0.91 0.00 0.00 0.00 179.25 180.41 3bnj n TRP 87 N -4.53 1.47 -1.68 0.00 8.01 0.07 -4.98 117.44 115.79 3bnj n TRP 87 Ca 0.16 -0.74 -0.45 0.00 -1.31 0.00 0.00 57.50 55.16 3bnj n TRP 87 Cb 0.29 -0.36 -0.04 0.00 -2.01 0.00 0.00 31.31 29.20 3bnj n TRP 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3bnj n ALA 88 N 0.34 1.45 -0.34 6.99 0.00 -0.51 -0.75 120.51 127.69 3bnj n ALA 88 Ca 0.24 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.11 3bnj n ALA 88 Cb 0.98 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3bnj n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bnj n GLY 89 N 3.01 0.73 3.19 0.00 0.00 -1.26 -0.87 105.19 109.99 3bnj n GLY 89 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3bnj n GLY 89 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bnj s TYR 90 N -2.72 1.32 0.60 1.61 5.04 0.07 -4.81 117.35 118.46 3bnj s TYR 90 Ca 0.00 -0.45 0.31 0.00 -2.44 0.00 0.00 57.07 54.49 3bnj s TYR 90 Cb 0.00 -0.74 1.85 0.00 0.35 0.00 0.00 41.96 43.43 3bnj s TYR 90 CO 0.00 0.08 2.22 -1.35 -1.34 0.00 0.00 175.55 175.16 3bnj h PRO 91 N 4.24 0.00 0.00 4.97 0.11 -1.95 -1.10 132.00 138.27 3bnj h PRO 91 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3bnj h PRO 91 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bnj h PRO 91 CO 0.40 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.38 3bnj n PHE 92 N -3.71 0.66 0.88 0.65 3.01 -1.26 -0.84 117.46 116.86 3bnj n PHE 92 Ca -0.02 0.30 0.12 0.00 1.01 0.00 0.00 57.45 58.86 3bnj n PHE 92 Cb 0.16 -0.98 0.55 0.00 -0.01 0.00 0.00 39.48 39.20 3bnj n PHE 92 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3bnj n SER 93 N -2.14 0.00 -0.07 4.37 3.41 -0.41 -3.53 113.62 115.25 3bnj n SER 93 Ca 0.01 0.50 -0.22 0.00 -0.26 0.00 0.00 58.87 58.89 3bnj n SER 93 Cb 0.14 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.46 3bnj n SER 93 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bnj n LYS 94 N -1.50 0.65 -3.65 4.33 5.02 -0.02 -4.91 118.16 118.08 3bnj n LYS 94 Ca 0.06 0.41 -0.04 0.00 -2.02 0.00 0.00 58.31 56.72 3bnj n LYS 94 Cb 0.30 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 3bnj n LYS 94 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bnj s ASP 95 N -6.96 -1.00 -0.28 4.39 -1.08 -1.18 -4.93 116.67 105.63 3bnj s ASP 95 Ca -0.27 1.51 -0.03 0.00 -0.52 0.00 0.00 52.55 53.24 3bnj s ASP 95 Cb 0.07 1.78 0.16 0.00 -1.46 0.00 0.00 42.92 43.47 3bnj s ASP 95 CO 0.65 -0.23 0.53 -0.47 0.52 0.00 0.00 175.17 176.17 3bnj s TYR 96 N 2.23 -1.30 0.27 -5.34 5.04 -1.26 -4.50 117.35 112.49 3bnj s TYR 96 Ca -0.08 1.51 0.11 0.00 -2.44 0.00 0.00 57.07 56.17 3bnj s TYR 96 Cb -0.08 0.42 -0.05 0.00 0.35 0.00 0.00 41.96 42.59 3bnj s TYR 96 CO -0.19 -0.79 -0.11 -0.80 -1.34 0.00 0.00 175.55 172.33 3bnj s ASN 97 N 2.76 4.05 0.78 4.32 0.02 -1.26 -0.77 114.94 124.83 3bnj s ASN 97 Ca 0.14 -0.84 -0.12 0.00 -1.02 0.00 0.00 52.86 51.03 3bnj s ASN 97 Cb -0.15 -0.57 0.06 0.00 0.02 0.00 0.00 41.25 40.62 3bnj s ASN 97 CO -0.19 0.02 1.13 0.00 0.02 0.00 0.00 177.10 178.09 3bnj s ALA 98 N -2.39 2.07 0.65 0.60 0.00 0.10 -4.83 121.76 117.96 3bnj s ALA 98 Ca 0.30 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 3bnj s ALA 98 Cb -0.06 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3bnj s ALA 98 CO 0.17 -1.94 1.16 -2.14 0.00 0.00 0.00 175.76 173.01 3bnj s PRO 99 N -4.49 2.76 0.00 0.00 0.02 -1.26 -4.65 135.00 127.38 3bnj s PRO 99 Ca 0.66 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3bnj s PRO 99 Cb -0.21 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3bnj s PRO 99 CO 0.51 -1.32 0.00 2.89 -0.33 0.00 0.00 177.00 178.75 3bnj n ARG 100 N -2.15 1.21 -1.88 5.54 1.85 -1.26 -4.95 116.66 115.03 3bnj n ARG 100 Ca 0.12 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.61 3bnj n ARG 100 Cb 0.51 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.97 3bnj n ARG 100 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3bnj s GLY 101 N -0.16 2.69 0.51 2.89 0.00 -0.06 -4.86 107.32 108.33 3bnj s GLY 101 Ca 0.00 1.02 0.26 0.00 0.00 0.00 0.00 44.72 46.00 3bnj s GLY 101 CO 0.00 1.42 1.94 0.45 0.00 0.00 0.00 173.10 176.90 3bnj h HIS 102 N 0.64 0.10 -1.05 1.90 3.86 -1.84 0.26 115.15 119.02 3bnj h HIS 102 Ca -0.50 0.00 0.30 0.00 -1.16 0.00 0.00 60.37 59.01 3bnj h HIS 102 Cb 1.30 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.70 3bnj h HIS 102 CO 0.46 0.03 0.75 -0.92 0.86 0.00 0.00 177.93 179.11 3bnj h TYR 103 N 0.08 0.03 -0.16 2.45 3.20 -1.88 -1.32 116.97 119.37 3bnj h TYR 103 Ca 0.35 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3bnj h TYR 103 Cb 1.27 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3bnj h TYR 103 CO -0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 3bnj n TYR 104 N -4.24 0.18 -0.01 -3.82 4.01 0.08 -4.67 117.16 108.69 3bnj n TYR 104 Ca 0.22 -0.10 -0.11 0.00 -0.16 0.00 0.00 57.90 57.75 3bnj n TYR 104 Cb 1.10 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.08 3bnj n TYR 104 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3bnj h ALA 105 N 4.12 0.15 -0.34 -0.72 0.00 -1.30 0.24 119.26 121.42 3bnj h ALA 105 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3bnj h ALA 105 Cb 0.90 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3bnj h ALA 105 CO 0.00 -0.37 0.04 1.25 0.00 0.00 0.00 179.25 180.16 3bnj h LEU 106 N 0.15 0.55 -0.95 0.00 7.12 -1.80 -1.62 115.31 118.76 3bnj h LEU 106 Ca 0.05 -0.28 -0.09 0.00 0.13 0.00 0.00 57.88 57.69 3bnj h LEU 106 Cb -0.00 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 39.96 3bnj h LEU 106 CO -0.02 0.69 -0.18 -0.61 -0.13 0.00 0.00 178.44 178.19 3bnj h GLN 107 N 0.39 0.56 -0.18 1.25 5.75 -1.74 -1.60 115.11 119.54 3bnj h GLN 107 Ca 0.10 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 3bnj h GLN 107 Cb 0.39 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3bnj h GLN 107 CO 0.01 0.72 -0.37 -0.44 -2.65 0.00 0.00 178.83 176.10 3bnj h ASP 108 N 0.51 0.41 -0.93 -0.69 3.32 -0.33 0.26 116.42 118.97 3bnj h ASP 108 Ca 0.08 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3bnj h ASP 108 Cb 0.60 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 3bnj h ASP 108 CO 0.04 0.75 0.57 -1.13 -1.72 0.00 0.00 179.24 177.75 3bnj h ASN 109 N 0.34 1.11 -0.14 6.45 -0.73 -0.74 0.27 115.58 122.14 3bnj h ASN 109 Ca 0.04 -0.06 -0.20 0.00 1.87 0.00 0.00 56.30 57.94 3bnj h ASN 109 Cb 0.80 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 39.12 3bnj h ASN 109 CO 0.06 0.84 -0.68 0.40 -0.37 0.00 0.00 177.43 177.69 3bnj h ILE 110 N 1.29 1.29 0.00 2.57 2.04 -0.61 -3.33 117.51 120.75 3bnj h ILE 110 Ca 0.34 -1.90 -0.21 0.00 1.00 0.00 0.00 64.86 64.09 3bnj h ILE 110 Cb -0.07 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3bnj h ILE 110 CO -0.07 0.60 -1.00 0.78 0.00 0.00 0.00 178.15 178.47 3bnj h ASN 111 N 0.55 0.01 -3.51 1.72 2.35 -0.09 -3.47 115.58 113.15 3bnj h ASN 111 Ca -0.02 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.15 3bnj h ASN 111 Cb 1.29 -0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.78 3bnj h ASN 111 CO 0.14 1.00 0.48 1.07 -1.65 0.00 0.00 177.43 178.47 3bnj n THR 112 N -3.37 2.53 0.29 2.81 5.66 0.05 -4.81 114.28 117.44 3bnj n THR 112 Ca -0.00 -0.50 0.16 0.00 -3.05 0.00 0.00 64.05 60.66 3bnj n THR 112 Cb 0.93 -1.55 0.78 0.00 -1.55 0.00 0.00 70.33 68.95 3bnj n THR 112 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3bnj h LEU 113 N 2.08 0.00 -1.32 1.09 3.38 -1.89 -2.69 115.31 115.95 3bnj h LEU 113 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3bnj h LEU 113 Cb 1.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 3bnj h LEU 113 CO 0.60 0.00 0.30 0.03 0.09 0.00 0.00 178.44 179.46 3bnj h ARG 114 N 0.00 0.76 -0.00 1.13 3.08 -1.84 -0.68 114.38 116.83 3bnj h ARG 114 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3bnj h ARG 114 Cb 0.20 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3bnj h ARG 114 CO 0.00 0.56 -0.02 0.25 -1.07 0.00 0.00 179.97 179.69 3bnj n THR 115 N -4.40 0.00 -4.91 2.04 -2.24 -1.01 -4.67 114.28 99.09 3bnj n THR 115 Ca 0.05 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3bnj n THR 115 Cb 0.10 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3bnj n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bnj n GLY 116 N 1.30 0.90 2.40 3.38 0.00 -0.26 -4.25 105.19 108.66 3bnj n GLY 116 Ca 0.14 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3bnj n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bnj n ALA 117 N 4.98 2.90 -1.49 4.61 0.00 -1.26 -4.81 120.51 125.44 3bnj n ALA 117 Ca 0.00 -3.51 -0.36 0.00 0.00 0.00 0.00 53.44 49.57 3bnj n ALA 117 Cb 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 19.45 18.73 3bnj n ALA 117 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3bnj n PRO 118 N 2.13 0.76 -0.00 0.00 -0.02 -1.26 -4.67 135.00 131.94 3bnj n PRO 118 Ca 0.26 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 62.12 3bnj n PRO 118 Cb 0.47 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 3bnj n PRO 118 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3bnj n VAL 119 N -2.44 0.00 -3.40 -1.45 0.24 -1.26 -4.84 118.33 105.18 3bnj n VAL 119 Ca 0.15 -0.23 -0.02 0.00 -2.04 0.00 0.00 64.34 62.20 3bnj n VAL 119 Cb 0.49 0.86 0.01 0.00 -1.47 0.00 0.00 33.84 33.73 3bnj n VAL 119 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3bnj n ASP 120 N -1.40 -0.63 0.00 -1.34 5.68 -1.26 -4.98 116.55 112.63 3bnj n ASP 120 Ca 0.01 -1.39 0.09 0.00 -0.50 0.00 0.00 54.79 53.00 3bnj n ASP 120 Cb 0.21 1.03 0.46 0.00 -1.14 0.00 0.00 41.12 41.69 3bnj n ASP 120 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bnj n GLY 121 N -0.19 -0.85 0.32 6.12 0.00 -1.26 -3.06 105.19 106.26 3bnj n GLY 121 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.95 3bnj n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bnj n LYS 122 N -1.26 1.70 -3.93 1.61 4.76 -1.26 -2.93 118.16 116.85 3bnj n LYS 122 Ca 0.09 -1.44 -0.22 0.00 -2.87 0.00 0.00 58.31 53.86 3bnj n LYS 122 Cb 0.14 -1.14 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 3bnj n LYS 122 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3bnj n THR 123 N 0.20 0.00 0.00 -0.18 -2.24 -1.17 -4.94 114.28 105.94 3bnj n THR 123 Ca 0.06 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 3bnj n THR 123 Cb 0.27 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3bnj n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bnj n GLY 124 N 0.29 0.27 0.14 3.38 0.00 -1.26 -4.37 105.19 103.64 3bnj n GLY 124 Ca -0.12 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3bnj n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bnj h PRO 125 N 0.00 0.00 -6.26 1.61 0.13 -1.88 -3.47 132.00 122.13 3bnj h PRO 125 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 3bnj h PRO 125 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 3bnj h PRO 125 CO 0.00 0.61 -0.63 -0.51 -0.23 0.00 0.00 178.00 177.24 3bnj s LEU 126 N -7.58 3.34 0.71 1.56 1.43 -1.26 -5.03 118.68 111.84 3bnj s LEU 126 Ca -0.01 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3bnj s LEU 126 Cb 0.13 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.51 3bnj s LEU 126 CO 0.76 0.03 1.00 -2.16 0.23 0.00 0.00 176.35 176.21 3bnj s PRO 127 N -3.37 1.95 0.58 1.29 0.04 -1.26 -0.60 135.00 133.63 3bnj s PRO 127 Ca 0.30 -0.59 0.31 0.00 0.04 0.00 0.00 61.00 61.05 3bnj s PRO 127 Cb -0.08 -2.23 1.80 0.00 0.04 0.00 0.00 34.50 34.03 3bnj s PRO 127 CO 0.20 -1.33 2.22 0.66 0.04 0.00 0.00 177.00 178.80 3bnj h SER 128 N -0.57 0.00 -0.01 6.66 4.64 -1.20 -1.92 113.55 121.15 3bnj h SER 128 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3bnj h SER 128 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3bnj h SER 128 CO 0.51 0.03 0.12 0.00 -0.87 0.00 0.00 176.83 176.62 3bnj h ALA 129 N 1.97 1.17 0.00 5.18 0.00 -1.83 -1.94 119.26 123.81 3bnj h ALA 129 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bnj h ALA 129 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bnj h ALA 129 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.13 3bnj h TRP 131 N 0.00 0.00 -0.89 0.00 4.06 -1.59 -3.42 115.95 114.12 3bnj h TRP 131 Ca 0.00 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.05 3bnj h TRP 131 Cb 0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.34 3bnj h TRP 131 CO 0.00 0.00 0.57 1.15 -3.56 0.00 0.00 178.44 176.60 3bnj h THR 132 N 0.00 0.95 -0.48 1.49 2.02 -1.53 -0.84 112.91 114.52 3bnj h THR 132 Ca 0.00 -0.29 -0.23 0.00 0.77 0.00 0.00 66.41 66.66 3bnj h THR 132 Cb 0.84 0.02 -0.14 0.00 -1.74 0.00 0.00 68.15 67.13 3bnj h THR 132 CO 0.00 0.16 0.08 0.00 0.37 0.00 0.00 175.52 176.13 3bnj n LYS 134 N -1.03 3.48 -3.62 0.00 4.76 -0.32 -4.95 118.16 116.48 3bnj n LYS 134 Ca 0.37 -0.14 -0.14 0.00 -2.87 0.00 0.00 58.31 55.54 3bnj n LYS 134 Cb 1.16 -0.57 -0.07 0.00 -1.84 0.00 0.00 35.03 33.71 3bnj n LYS 134 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3bnj s SER 135 N -0.54 -0.69 0.00 4.39 0.15 -1.25 -2.19 113.70 113.58 3bnj s SER 135 Ca 0.00 1.26 0.21 0.00 0.70 0.00 0.00 55.95 58.13 3bnj s SER 135 Cb 0.00 1.26 0.94 0.00 -1.71 0.00 0.00 66.02 66.50 3bnj s SER 135 CO 0.00 -0.28 1.69 -0.81 1.20 0.00 0.00 173.24 175.04 3bnj n PRO 136 N 2.38 0.04 0.23 5.44 -0.04 -1.26 -2.26 135.00 139.53 3bnj n PRO 136 Ca -0.14 0.13 0.15 0.00 -0.04 0.00 0.00 63.50 63.60 3bnj n PRO 136 Cb 0.55 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.11 3bnj n PRO 136 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3bnj h ASP 137 N 0.00 0.00 0.75 3.54 3.32 -1.82 -3.11 116.42 119.10 3bnj h ASP 137 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3bnj h ASP 137 Cb 0.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 3bnj h ASP 137 CO 0.00 0.00 -0.36 0.58 -1.72 0.00 0.00 179.24 177.74 3bnj h VAL 138 N 0.00 0.14 -0.28 -1.35 2.07 -1.79 0.64 116.25 115.68 3bnj h VAL 138 Ca 0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3bnj h VAL 138 Cb 0.50 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3bnj h VAL 138 CO 0.00 0.01 0.15 1.55 0.02 0.00 0.00 177.57 179.30 3bnj h PRO 139 N -1.16 0.37 -0.34 1.57 0.13 -1.76 0.11 132.00 130.92 3bnj h PRO 139 Ca -0.10 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.06 3bnj h PRO 139 Cb 0.79 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 31.79 3bnj h PRO 139 CO 0.17 0.28 -0.03 -0.09 -0.23 0.00 0.00 178.00 178.10 3bnj h ARG 140 N 0.38 0.06 -0.21 0.86 2.43 -1.44 0.84 114.38 117.30 3bnj h ARG 140 Ca 0.10 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.07 3bnj h ARG 140 Cb 0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3bnj h ARG 140 CO -0.02 0.04 -0.64 0.82 -1.51 0.00 0.00 179.97 178.66 3bnj h ILE 141 N 0.06 1.29 -0.69 1.20 2.04 -0.00 -2.61 117.51 118.79 3bnj h ILE 141 Ca 0.16 -1.86 0.01 0.00 1.00 0.00 0.00 64.86 64.17 3bnj h ILE 141 Cb 0.23 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3bnj h ILE 141 CO -0.30 0.59 0.46 0.40 0.00 0.00 0.00 178.15 179.30 3bnj h ILE 142 N 0.56 1.18 0.00 -0.67 2.04 -0.61 0.88 117.51 120.89 3bnj h ILE 142 Ca -0.01 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3bnj h ILE 142 Cb 1.25 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3bnj h ILE 142 CO 0.13 0.17 0.00 -0.33 0.00 0.00 0.00 178.15 178.13 3bnj h GLU 143 N 0.94 0.00 0.00 2.37 5.08 -0.73 0.66 114.58 122.89 3bnj h GLU 143 Ca 0.25 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 58.22 3bnj h GLU 143 Cb -0.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3bnj h GLU 143 CO -0.05 0.00 -2.33 0.94 -1.00 0.00 0.00 179.01 176.57 3bnj n GLN 144 N -3.01 0.51 0.08 2.33 7.27 -0.81 -4.67 117.38 119.08 3bnj n GLN 144 Ca -0.00 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.29 3bnj n GLN 144 Cb 0.24 -1.35 -0.04 0.00 2.41 0.00 0.00 30.24 31.50 3bnj n GLN 144 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3bnj h ASP 145 N -0.80 0.00 -4.62 1.69 3.45 0.68 -3.51 116.42 113.31 3bnj h ASP 145 Ca -0.60 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.86 3bnj h ASP 145 Cb 1.55 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.32 3bnj h ASP 145 CO -0.35 0.58 0.00 0.61 -1.57 0.00 0.00 179.24 178.51 3bnj n GLY 146 N 1.32 0.34 0.10 2.75 0.00 0.22 -4.44 105.19 105.48 3bnj n GLY 146 Ca -0.04 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 3bnj n GLY 146 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3bnj h GLU 147 N 0.00 0.19 -0.45 1.61 4.81 -1.90 -1.11 114.58 117.74 3bnj h GLU 147 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3bnj h GLU 147 Cb 0.00 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3bnj h GLU 147 CO 0.00 0.13 0.14 -0.07 -0.73 0.00 0.00 179.01 178.48 3bnj h LEU 148 N 0.20 0.65 -0.49 1.64 3.38 -1.95 -0.48 115.31 118.27 3bnj h LEU 148 Ca 0.07 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3bnj h LEU 148 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3bnj h LEU 148 CO -0.04 0.68 0.31 -0.08 0.09 0.00 0.00 178.44 179.40 3bnj h GLU 149 N 0.58 0.61 -0.84 1.13 4.57 -1.76 -2.01 114.58 116.87 3bnj h GLU 149 Ca 0.14 -0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.39 3bnj h GLU 149 Cb 0.27 -0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 28.64 3bnj h GLU 149 CO -0.00 0.40 0.48 -0.92 -1.18 0.00 0.00 179.01 177.79 3bnj h TYR 150 N 0.63 0.86 -0.09 0.92 3.20 -0.71 -0.93 116.97 120.85 3bnj h TYR 150 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3bnj h TYR 150 Cb -0.04 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 37.97 3bnj h TYR 150 CO -0.05 0.34 0.00 1.19 -1.64 0.00 0.00 178.16 178.00 3bnj n PHE 151 N -4.75 0.12 -4.10 -3.82 3.72 -0.23 -4.66 117.46 103.74 3bnj n PHE 151 Ca 0.14 -0.06 -0.35 0.00 -0.05 0.00 0.00 57.45 57.14 3bnj n PHE 151 Cb 0.29 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 3bnj n PHE 151 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3bnj s THR 152 N -1.88 4.68 0.00 4.37 2.01 -0.36 -0.41 115.64 124.05 3bnj s THR 152 Ca 0.15 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.07 3bnj s THR 152 Cb 0.08 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.51 3bnj s THR 152 CO 0.11 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 3bnj n GLY 153 N 3.18 -2.58 3.87 4.40 0.00 -1.26 -4.80 105.19 107.99 3bnj n GLY 153 Ca -0.17 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 3bnj n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bnj s LYS 154 N -0.51 3.79 0.28 1.61 -0.14 -1.26 -1.17 119.74 122.35 3bnj s LYS 154 Ca 0.00 0.66 0.01 0.00 -1.36 0.00 0.00 55.97 55.29 3bnj s LYS 154 Cb 0.00 -2.25 0.67 0.00 -1.68 0.00 0.00 37.83 34.57 3bnj s LYS 154 CO 0.00 -0.22 1.66 2.35 -0.76 0.00 0.00 175.35 178.38 3bnj h TRP 155 N 0.80 0.40 0.00 3.18 7.01 -0.76 -0.88 115.95 125.70 3bnj h TRP 155 Ca -0.47 0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.58 3bnj h TRP 155 Cb 1.19 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 3bnj h TRP 155 CO 0.62 -0.15 0.00 0.00 -2.79 0.00 0.00 178.44 176.12 3bnj h ALA 156 N 1.74 1.00 -0.97 2.65 0.00 -1.80 -2.76 119.26 119.12 3bnj h ALA 156 Ca 0.53 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.62 3bnj h ALA 156 Cb 1.03 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3bnj h ALA 156 CO -0.60 0.00 0.61 -0.22 0.00 0.00 0.00 179.25 179.04 3bnj h LYS 157 N 0.00 0.67 -0.34 0.00 3.64 -1.03 -2.70 116.57 116.82 3bnj h LYS 157 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3bnj h LYS 157 Cb 0.09 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3bnj h LYS 157 CO 0.00 0.45 0.00 0.66 -2.27 0.00 0.00 179.45 178.29 3bnj n TYR 158 N -4.66 0.89 -0.16 1.91 4.01 -1.04 -4.71 117.16 113.39 3bnj n TYR 158 Ca 0.21 -0.72 0.17 0.00 -0.16 0.00 0.00 57.90 57.41 3bnj n TYR 158 Cb 0.58 -0.22 0.54 0.00 -0.31 0.00 0.00 39.34 39.92 3bnj n TYR 158 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3bnj h GLY 159 N 2.20 0.61 -2.84 2.72 0.00 -1.61 0.52 103.07 104.68 3bnj h GLY 159 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3bnj h GLY 159 CO 0.16 0.04 0.00 2.09 0.00 0.00 0.00 176.54 178.83 3bnj n ASP 160 N -4.46 4.26 -0.02 0.19 5.75 -1.26 -4.36 116.55 116.65 3bnj n ASP 160 Ca 0.15 -2.16 -0.02 0.00 -0.01 0.00 0.00 54.79 52.74 3bnj n ASP 160 Cb 0.58 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 40.13 3bnj n ASP 160 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bnj n GLU 161 N 1.47 1.08 -3.30 0.11 -0.58 -0.10 -4.21 120.64 115.11 3bnj n GLU 161 Ca 0.25 0.01 -0.47 0.00 -0.42 0.00 0.00 57.16 56.54 3bnj n GLU 161 Cb 0.72 -1.07 -0.03 0.00 -0.57 0.00 0.00 31.44 30.49 3bnj n GLU 161 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3bnj s ILE 162 N -2.07 5.44 0.00 -3.67 1.01 -0.02 -4.74 121.20 117.15 3bnj s ILE 162 Ca -0.04 -2.09 0.00 0.00 0.00 0.00 0.00 60.65 58.52 3bnj s ILE 162 Cb 0.01 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 38.04 3bnj s ILE 162 CO 0.09 -1.00 0.05 1.33 0.00 0.00 0.00 174.94 175.42 3bnj n VAL 163 N 4.47 0.00 -4.07 2.92 0.24 -1.26 -4.84 118.33 115.79 3bnj n VAL 163 Ca 0.05 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.34 61.91 3bnj n VAL 163 Cb 0.45 1.34 -0.07 0.00 -1.47 0.00 0.00 33.84 34.09 3bnj n VAL 163 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3bnj s ASN 164 N -0.13 5.70 0.51 -1.34 0.01 -1.26 -4.95 114.94 113.48 3bnj s ASN 164 Ca 0.00 0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.26 3bnj s ASN 164 Cb 0.00 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 40.05 3bnj s ASN 164 CO 0.00 0.23 0.75 0.28 -1.51 0.00 0.00 177.10 176.85 3bnj s THR 165 N -1.28 3.51 -0.19 1.60 -1.32 -1.26 -4.06 115.64 112.63 3bnj s THR 165 Ca 0.26 -0.46 -0.18 0.00 -1.21 0.00 0.00 61.69 60.10 3bnj s THR 165 Cb -0.12 -3.32 -0.08 0.00 -1.51 0.00 0.00 72.50 67.47 3bnj s THR 165 CO 0.18 -0.25 0.66 -0.38 -2.21 0.00 0.00 174.62 172.62 3bnj n ILE 166 N -2.26 0.00 -4.29 5.08 5.41 -0.93 -4.28 119.36 118.09 3bnj n ILE 166 Ca 0.04 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.60 3bnj n ILE 166 Cb 0.58 -0.19 -0.09 0.00 -0.71 0.00 0.00 39.64 39.24 3bnj n ILE 166 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3bnj s GLY 167 N 1.40 2.18 0.30 7.39 0.00 -1.26 -4.86 107.32 112.47 3bnj s GLY 167 Ca 0.41 -1.93 0.06 0.00 0.00 0.00 0.00 44.72 43.26 3bnj s GLY 167 CO 0.30 -1.49 1.76 0.00 0.00 0.00 0.00 173.10 173.66 3bnj h TYR 169 N 0.67 0.00 0.00 0.00 3.20 -1.80 0.30 116.97 119.34 3bnj h TYR 169 Ca 0.58 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.44 3bnj h TYR 169 Cb 0.96 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 3bnj h TYR 169 CO -0.03 0.00 -0.07 -0.91 -1.64 0.00 0.00 178.16 175.51 3bnj h ASN 170 N 0.00 0.00 0.00 -2.11 4.21 -1.05 -3.37 115.58 113.26 3bnj h ASN 170 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3bnj h ASN 170 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3bnj h ASN 170 CO 0.00 0.07 -0.28 0.00 -1.29 0.00 0.00 177.43 175.93 3bnj s HIS 172 N -0.96 1.90 0.15 0.00 3.76 -0.01 -0.64 115.29 119.49 3bnj s HIS 172 Ca 0.00 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 3bnj s HIS 172 Cb 0.00 -1.15 -0.08 0.00 1.11 0.00 0.00 32.58 32.46 3bnj s HIS 172 CO 0.00 0.07 1.23 0.34 -0.85 0.00 0.00 174.74 175.53 3bnj s ASP 173 N -1.04 7.03 0.00 1.40 -1.08 -0.01 -4.55 116.67 118.42 3bnj s ASP 173 Ca 0.08 2.21 0.32 0.00 -0.52 0.00 0.00 52.55 54.64 3bnj s ASP 173 Cb -0.09 -2.60 1.80 0.00 -1.46 0.00 0.00 42.92 40.58 3bnj s ASP 173 CO 0.01 -0.45 2.18 -0.90 0.52 0.00 0.00 175.17 176.54 3bnj n ASP 174 N 3.03 0.03 -0.11 -0.34 5.75 -1.26 -0.36 116.55 123.28 3bnj n ASP 174 Ca 0.06 -0.82 -0.22 0.00 -0.01 0.00 0.00 54.79 53.80 3bnj n ASP 174 Cb 0.45 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.39 3bnj n ASP 174 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3bnj n LYS 175 N -1.04 0.50 -0.00 0.11 5.02 -1.26 -3.56 118.16 117.92 3bnj n LYS 175 Ca 0.22 0.19 0.10 0.00 -2.02 0.00 0.00 58.31 56.80 3bnj n LYS 175 Cb 0.14 -1.35 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 3bnj n LYS 175 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3bnj n SER 176 N -3.81 0.64 0.00 4.39 3.41 -1.24 -4.03 113.62 112.98 3bnj n SER 176 Ca -0.44 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 3bnj n SER 176 Cb 0.84 1.37 0.00 0.00 -0.26 0.00 0.00 64.21 66.16 3bnj n SER 176 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bnj n ALA 177 N -1.78 0.00 -1.53 7.33 0.00 0.51 -4.82 120.51 120.23 3bnj n ALA 177 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 3bnj n ALA 177 Cb 0.42 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.86 3bnj n ALA 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3bnj s GLU 178 N -1.31 2.72 0.32 0.00 -1.05 -1.26 -4.47 118.70 113.65 3bnj s GLU 178 Ca 0.00 1.55 -0.29 0.00 -0.15 0.00 0.00 54.97 56.08 3bnj s GLU 178 Cb 0.00 -1.93 -0.11 0.00 -0.44 0.00 0.00 34.13 31.65 3bnj s GLU 178 CO 0.00 -1.34 1.57 1.28 0.95 0.00 0.00 175.26 177.72 3bnj n LEU 179 N -2.27 4.51 -3.85 1.83 4.77 -1.26 -0.83 117.00 119.91 3bnj n LEU 179 Ca 0.12 1.17 -0.12 0.00 -0.03 0.00 0.00 56.01 57.15 3bnj n LEU 179 Cb 0.51 -1.60 -0.11 0.00 -2.33 0.00 0.00 43.42 39.89 3bnj n LEU 179 CO 0.47 0.17 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.98 3bnj s LYS 180 N -0.99 0.35 -0.01 3.23 1.02 0.19 -4.81 119.74 118.71 3bnj s LYS 180 Ca 0.61 -0.12 -0.25 0.00 0.02 0.00 0.00 55.97 56.23 3bnj s LYS 180 Cb -0.49 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 3bnj s LYS 180 CO 0.53 -0.07 0.77 0.45 -0.92 0.00 0.00 175.35 176.11 3bnj s SER 181 N -0.72 7.13 0.00 2.83 0.15 -1.26 -4.37 113.70 117.46 3bnj s SER 181 Ca -0.08 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.10 3bnj s SER 181 Cb -0.05 -2.46 0.12 0.00 -1.71 0.00 0.00 66.02 61.93 3bnj s SER 181 CO 0.01 -0.09 1.01 0.29 1.20 0.00 0.00 173.24 175.66 3bnj n LYS 182 N 3.44 1.35 -4.81 5.44 4.76 -1.26 -4.92 118.16 122.14 3bnj n LYS 182 Ca -0.00 -1.44 -0.33 0.00 -2.87 0.00 0.00 58.31 53.67 3bnj n LYS 182 Cb 0.51 -1.32 -0.16 0.00 -1.84 0.00 0.00 35.03 32.22 3bnj n LYS 182 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3bnj s VAL 183 N -1.43 2.26 0.44 -0.18 -7.23 -1.26 -4.72 120.40 108.28 3bnj s VAL 183 Ca 0.19 -0.93 0.23 0.00 -1.81 0.00 0.00 61.98 59.66 3bnj s VAL 183 Cb 0.14 -1.90 0.26 0.00 0.56 0.00 0.00 36.38 35.43 3bnj s VAL 183 CO 0.22 0.54 2.06 -0.65 -0.31 0.00 0.00 175.10 176.96 3bnj h PRO 184 N 7.09 0.00 0.00 4.82 0.11 -1.99 -3.06 132.00 138.97 3bnj h PRO 184 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3bnj h PRO 184 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3bnj h PRO 184 CO 0.53 0.14 -0.09 0.10 -0.21 0.00 0.00 178.00 178.47 3bnj h TYR 185 N 0.00 0.00 0.33 0.65 -0.00 -1.96 -2.91 116.97 113.08 3bnj h TYR 185 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 3bnj h TYR 185 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.04 3bnj h TYR 185 CO 0.00 0.09 -0.16 1.25 -0.00 0.00 0.00 178.16 179.34 3bnj h LEU 186 N 0.00 -0.37 -1.07 0.10 5.85 -1.90 -0.17 115.31 117.75 3bnj h LEU 186 Ca -0.00 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3bnj h LEU 186 Cb 0.49 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3bnj h LEU 186 CO 0.01 -0.00 0.62 0.44 -0.34 0.00 0.00 178.44 179.17 3bnj h ASP 187 N -0.80 0.97 -0.51 1.25 3.32 -1.74 0.19 116.42 119.10 3bnj h ASP 187 Ca -0.05 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.07 3bnj h ASP 187 Cb 0.52 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 3bnj h ASP 187 CO 0.07 0.61 0.24 -0.09 -1.72 0.00 0.00 179.24 178.35 3bnj h ARG 188 N 1.09 0.46 -0.26 3.56 2.43 -1.39 0.11 114.38 120.37 3bnj h ARG 188 Ca 0.42 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.49 3bnj h ARG 188 Cb 0.22 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3bnj h ARG 188 CO -0.17 0.30 -0.13 0.78 -1.51 0.00 0.00 179.97 179.24 3bnj h GLY 189 N 0.47 0.60 0.70 2.80 0.00 0.04 -1.55 103.07 106.13 3bnj h GLY 189 Ca 0.23 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3bnj h GLY 189 CO -0.17 0.49 0.03 1.41 0.00 0.00 0.00 176.54 178.30 3bnj h LEU 190 N 0.28 -0.02 -0.68 3.11 3.38 -0.27 -1.27 115.31 119.84 3bnj h LEU 190 Ca 0.06 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3bnj h LEU 190 Cb 0.64 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3bnj h LEU 190 CO 0.04 0.02 0.31 0.28 0.09 0.00 0.00 178.44 179.18 3bnj h SER 191 N 0.12 0.91 -0.24 -0.43 0.02 -0.81 0.17 113.55 113.28 3bnj h SER 191 Ca 0.11 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3bnj h SER 191 Cb 0.12 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3bnj h SER 191 CO -0.16 0.81 0.16 0.00 -1.14 0.00 0.00 176.83 176.49 3bnj h ALA 192 N 1.14 1.80 -0.01 3.77 0.00 -0.80 -1.43 119.26 123.73 3bnj h ALA 192 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bnj h ALA 192 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3bnj h ALA 192 CO -0.03 0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 3bnj n ALA 193 N -2.50 2.69 -0.89 0.00 0.00 -0.52 -4.37 120.51 114.92 3bnj n ALA 193 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3bnj n ALA 193 Cb 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3bnj n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bnj n GLY 194 N 1.21 0.54 3.89 0.00 0.00 -0.54 -4.79 105.19 105.51 3bnj n GLY 194 Ca 0.17 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3bnj n GLY 194 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bnj s PHE 195 N -2.00 3.47 0.48 1.61 0.08 0.52 -4.98 117.98 117.15 3bnj s PHE 195 Ca 0.00 1.00 -0.23 0.00 0.12 0.00 0.00 56.93 57.82 3bnj s PHE 195 Cb 0.00 -2.72 -0.07 0.00 -0.57 0.00 0.00 43.02 39.66 3bnj s PHE 195 CO 0.00 -0.75 1.25 0.15 -0.10 0.00 0.00 175.22 175.77 3bnj s LYS 196 N -5.09 3.61 1.04 0.44 1.02 -1.26 -3.93 119.74 115.57 3bnj s LYS 196 Ca 0.54 1.98 -0.12 0.00 0.02 0.00 0.00 55.97 58.39 3bnj s LYS 196 Cb -0.11 -2.43 0.22 0.00 -0.52 0.00 0.00 37.83 34.99 3bnj s LYS 196 CO 0.50 -0.73 1.07 0.95 -0.92 0.00 0.00 175.35 176.22 3bnj s THR 197 N -1.42 2.14 0.15 2.17 -4.23 -1.26 -4.76 115.64 108.43 3bnj s THR 197 Ca 0.65 0.05 -0.22 0.00 -1.18 0.00 0.00 61.69 60.98 3bnj s THR 197 Cb -0.34 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.18 3bnj s THR 197 CO 0.41 -0.06 1.64 0.15 -0.54 0.00 0.00 174.62 176.22 3bnj h PHE 198 N -2.13 -0.54 -0.14 3.99 3.04 -1.94 -1.73 116.94 117.48 3bnj h PHE 198 Ca -0.56 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.41 3bnj h PHE 198 Cb 1.32 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 40.10 3bnj h PHE 198 CO 0.31 -0.28 0.04 0.00 -2.02 0.00 0.00 178.31 176.36 3bnj h ALA 199 N 0.86 1.81 0.00 2.41 0.00 -1.98 -1.71 119.26 120.65 3bnj h ALA 199 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bnj h ALA 199 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3bnj h ALA 199 CO -0.35 0.15 -0.11 0.39 0.00 0.00 0.00 179.25 179.34 3bnj n GLU 200 N -4.46 0.05 -2.33 0.00 1.02 -0.79 -4.91 120.64 109.22 3bnj n GLU 200 Ca -0.01 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 3bnj n GLU 200 Cb 0.12 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 3bnj n GLU 200 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3bnj s SER 201 N -3.28 6.16 0.86 1.62 0.01 -0.64 -4.88 113.70 113.55 3bnj s SER 201 Ca 0.13 1.08 -0.11 0.00 1.31 0.00 0.00 55.95 58.36 3bnj s SER 201 Cb 0.18 -2.26 0.11 0.00 0.21 0.00 0.00 66.02 64.25 3bnj s SER 201 CO 0.58 -0.75 1.09 0.42 0.41 0.00 0.00 173.24 174.99 3bnj s THR 202 N -2.93 2.86 0.21 1.44 -4.23 -1.26 -4.81 115.64 106.92 3bnj s THR 202 Ca 0.51 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 61.20 3bnj s THR 202 Cb -0.11 -2.78 0.15 0.00 1.34 0.00 0.00 72.50 71.11 3bnj s THR 202 CO 0.48 -0.37 1.84 -0.74 -0.54 0.00 0.00 174.62 175.29 3bnj h HIS 203 N -1.41 0.79 -0.56 3.99 2.76 -1.97 -0.42 115.15 118.33 3bnj h HIS 203 Ca -0.48 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 57.66 3bnj h HIS 203 Cb 1.27 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.95 3bnj h HIS 203 CO 0.47 0.43 0.12 0.37 -1.30 0.00 0.00 177.93 178.02 3bnj h GLN 204 N 0.81 0.87 -0.63 5.26 5.75 -1.97 -1.43 115.11 123.77 3bnj h GLN 204 Ca 0.29 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3bnj h GLN 204 Cb 0.08 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3bnj h GLN 204 CO -0.14 0.79 0.19 0.93 -2.65 0.00 0.00 178.83 177.96 3bnj h GLU 205 N 0.83 0.98 -0.13 1.69 5.08 -1.78 -2.60 114.58 118.65 3bnj h GLU 205 Ca 0.18 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3bnj h GLU 205 Cb 0.32 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3bnj h GLU 205 CO 0.00 0.86 0.05 0.87 -1.00 0.00 0.00 179.01 179.79 3bnj h LYS 206 N 0.90 0.17 0.00 2.33 1.57 -0.24 0.11 116.57 121.41 3bnj h LYS 206 Ca 0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3bnj h LYS 206 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3bnj h LYS 206 CO -0.01 0.15 0.00 0.54 -0.57 0.00 0.00 179.45 179.56 3bnj n ARG 207 N -4.48 0.21 -0.06 3.15 1.74 -0.62 -1.46 116.66 115.14 3bnj n ARG 207 Ca -0.01 0.14 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 3bnj n ARG 207 Cb 0.11 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 3bnj n ARG 207 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3bnj n SER 208 N -1.29 2.81 0.17 0.55 7.64 -0.35 -2.68 113.62 120.47 3bnj n SER 208 Ca 0.07 -0.04 0.05 0.00 1.01 0.00 0.00 58.87 59.95 3bnj n SER 208 Cb 0.12 0.15 0.48 0.00 -1.01 0.00 0.00 64.21 63.96 3bnj n SER 208 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3bnj h LEU 209 N 0.00 0.12 -1.55 -3.43 3.38 -0.63 -0.66 115.31 112.54 3bnj h LEU 209 Ca -0.28 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.68 3bnj h LEU 209 Cb 1.51 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 3bnj h LEU 209 CO -0.02 0.24 0.31 -0.37 0.09 0.00 0.00 178.44 178.69 3bnj h VAL 210 N 0.13 1.11 -0.10 1.22 -1.51 -1.52 -1.15 116.25 114.43 3bnj h VAL 210 Ca 0.03 -0.21 -0.17 0.00 -1.23 0.00 0.00 66.70 65.12 3bnj h VAL 210 Cb 0.25 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 29.84 3bnj h VAL 210 CO 0.01 0.11 -0.65 0.00 -1.23 0.00 0.00 177.57 175.82 3bnj n ALA 212 N -2.50 1.79 0.16 0.00 0.00 -0.47 -1.03 120.51 118.46 3bnj n ALA 212 Ca -0.03 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.47 3bnj n ALA 212 Cb 0.66 -1.24 0.67 0.00 0.00 0.00 0.00 19.45 19.53 3bnj n ALA 212 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3bnj h GLN 213 N 0.00 0.00 0.00 0.00 4.20 -1.42 -3.37 115.11 114.52 3bnj h GLN 213 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3bnj h GLN 213 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3bnj h GLN 213 CO 0.00 0.00 -0.81 0.00 -0.67 0.00 0.00 178.83 177.35 3bnj n HIS 215 N -2.20 2.54 -4.00 0.00 8.25 -0.20 -4.84 115.22 114.77 3bnj n HIS 215 Ca 0.00 -2.81 -0.08 0.00 -0.26 0.00 0.00 57.72 54.56 3bnj n HIS 215 Cb 0.40 -1.88 -0.09 0.00 1.12 0.00 0.00 29.99 29.55 3bnj n HIS 215 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3bnj s VAL 216 N -0.89 0.15 0.29 1.59 -7.23 -0.92 -1.02 120.40 112.37 3bnj s VAL 216 Ca 0.56 -1.56 -0.28 0.00 -1.81 0.00 0.00 61.98 58.89 3bnj s VAL 216 Cb 0.19 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 35.44 3bnj s VAL 216 CO -0.10 -0.69 0.96 -0.70 -0.31 0.00 0.00 175.10 174.26 3bnj s GLU 217 N -3.93 4.66 0.19 4.82 2.56 -1.13 -4.54 118.70 121.34 3bnj s GLU 217 Ca 0.11 1.44 -0.11 0.00 0.00 0.00 0.00 54.97 56.41 3bnj s GLU 217 Cb 0.06 -2.99 -0.00 0.00 2.00 0.00 0.00 34.13 33.20 3bnj s GLU 217 CO -0.07 0.33 0.37 -0.59 -0.56 0.00 0.00 175.26 174.75 3bnj s PHE 218 N -1.42 0.31 0.28 5.30 -0.71 -1.26 -4.35 117.98 116.13 3bnj s PHE 218 Ca 0.47 -0.66 0.04 0.00 -1.04 0.00 0.00 56.93 55.73 3bnj s PHE 218 Cb -0.23 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 3bnj s PHE 218 CO 0.29 -0.82 0.20 1.52 -1.34 0.00 0.00 175.22 175.07 3bnj s TYR 219 N -3.96 1.52 -0.25 3.49 1.13 0.05 -4.78 117.35 114.55 3bnj s TYR 219 Ca 0.17 -1.49 -0.08 0.00 -1.41 0.00 0.00 57.07 54.26 3bnj s TYR 219 Cb 0.02 -0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 3bnj s TYR 219 CO 0.02 -0.70 0.09 -0.06 -2.51 0.00 0.00 175.55 172.38 3bnj s PHE 220 N -3.72 3.12 -0.29 -3.49 0.08 -1.26 -0.91 117.98 111.52 3bnj s PHE 220 Ca 0.39 -0.28 -0.16 0.00 0.12 0.00 0.00 56.93 56.99 3bnj s PHE 220 Cb 0.05 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 3bnj s PHE 220 CO 0.20 -0.28 0.42 0.21 -0.10 0.00 0.00 175.22 175.67 3bnj s LYS 221 N 1.51 3.92 0.04 0.44 2.20 -0.04 -4.78 119.74 123.05 3bnj s LYS 221 Ca 0.06 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 3bnj s LYS 221 Cb -0.15 -3.69 -0.08 0.00 -1.51 0.00 0.00 37.83 32.40 3bnj s LYS 221 CO 0.05 -0.37 1.69 0.21 -0.36 0.00 0.00 175.35 176.57 3bnj s LYS 222 N 2.15 4.19 -0.16 4.03 2.20 -1.26 -1.28 119.74 129.61 3bnj s LYS 222 Ca 0.16 2.34 -0.02 0.00 -0.36 0.00 0.00 55.97 58.09 3bnj s LYS 222 Cb -0.16 -3.72 0.05 0.00 -1.51 0.00 0.00 37.83 32.49 3bnj s LYS 222 CO 0.10 -0.78 -0.00 0.99 -0.36 0.00 0.00 175.35 175.31 3bnj s THR 223 N 3.07 0.71 0.13 3.43 2.01 0.11 -4.97 115.64 120.13 3bnj s THR 223 Ca 0.75 -0.45 -0.27 0.00 0.31 0.00 0.00 61.69 62.02 3bnj s THR 223 Cb -0.39 -1.03 -0.07 0.00 0.01 0.00 0.00 72.50 71.02 3bnj s THR 223 CO 0.33 0.00 0.86 -1.61 -0.69 0.00 0.00 174.62 173.51 3bnj s GLU 224 N 1.80 4.64 0.27 4.92 0.41 -1.26 0.01 118.70 129.49 3bnj s GLU 224 Ca 0.01 1.28 -0.15 0.00 -0.41 0.00 0.00 54.97 55.70 3bnj s GLU 224 Cb -0.16 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 3bnj s GLU 224 CO -0.07 0.38 0.55 1.67 -0.49 0.00 0.00 175.26 177.31 3bnj s TRP 225 N -0.54 0.24 -0.05 1.61 1.48 -0.44 -4.96 118.94 116.29 3bnj s TRP 225 Ca 0.41 -0.64 0.03 0.00 -1.06 0.00 0.00 56.10 54.83 3bnj s TRP 225 Cb -0.23 0.34 0.01 0.00 -1.16 0.00 0.00 33.47 32.43 3bnj s TRP 225 CO 0.28 -1.09 -0.12 0.21 -4.06 0.00 0.00 176.95 172.16 3bnj s LYS 226 N -3.87 1.57 0.15 3.25 2.20 -1.26 -0.34 119.74 121.43 3bnj s LYS 226 Ca 0.20 -0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 55.36 3bnj s LYS 226 Cb -0.02 -1.33 0.03 0.00 -1.51 0.00 0.00 37.83 35.00 3bnj s LYS 226 CO 0.09 0.08 0.20 -0.40 -0.36 0.00 0.00 175.35 174.97 3bnj n ASP 227 N 3.59 0.06 0.24 1.43 5.68 -0.62 -4.86 116.55 122.07 3bnj n ASP 227 Ca -0.21 -1.10 0.17 0.00 -0.50 0.00 0.00 54.79 53.15 3bnj n ASP 227 Cb 0.52 -0.15 0.80 0.00 -1.14 0.00 0.00 41.12 41.16 3bnj n ASP 227 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3bnj h ASP 228 N -0.24 0.00 -0.62 -1.12 3.45 -2.01 -1.75 116.42 114.14 3bnj h ASP 228 Ca -0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.39 3bnj h ASP 228 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3bnj h ASP 228 CO 0.05 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 178.01 3bnj n LYS 229 N -2.74 2.94 -1.11 3.56 5.02 -1.26 -4.95 118.16 119.62 3bnj n LYS 229 Ca -0.01 -2.57 -0.04 0.00 -2.02 0.00 0.00 58.31 53.68 3bnj n LYS 229 Cb 0.15 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 3bnj n LYS 229 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bnj n GLY 230 N 1.26 0.57 3.71 0.72 0.00 -0.66 -4.99 105.19 105.80 3bnj n GLY 230 Ca 0.22 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3bnj n GLY 230 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bnj s VAL 231 N -1.80 4.69 -0.00 1.61 1.01 -1.26 -4.76 120.40 119.88 3bnj s VAL 231 Ca 0.00 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 3bnj s VAL 231 Cb 0.00 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3bnj s VAL 231 CO 0.00 0.13 1.30 -1.81 0.00 0.00 0.00 175.10 174.72 3bnj s ASP 232 N 1.05 6.95 0.15 3.32 1.01 -1.26 -1.59 116.67 126.30 3bnj s ASP 232 Ca 0.53 2.01 0.03 0.00 0.71 0.00 0.00 52.55 55.83 3bnj s ASP 232 Cb -0.22 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.10 3bnj s ASP 232 CO 0.27 -0.64 -0.05 -0.54 0.21 0.00 0.00 175.17 174.42 3bnj s LYS 233 N 2.08 1.06 -0.16 8.23 1.02 0.53 -5.00 119.74 127.50 3bnj s LYS 233 Ca 0.60 -1.48 0.01 0.00 0.02 0.00 0.00 55.97 55.13 3bnj s LYS 233 Cb -0.29 -0.43 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 3bnj s LYS 233 CO 0.25 -0.03 -0.19 0.99 -0.92 0.00 0.00 175.35 175.46 3bnj s THR 234 N -3.50 1.95 0.07 2.17 2.01 -1.26 -1.32 115.64 115.75 3bnj s THR 234 Ca 0.19 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.32 3bnj s THR 234 Cb 0.05 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3bnj s THR 234 CO 0.01 0.52 0.19 0.00 -0.69 0.00 0.00 174.62 174.66 3bnj s ALA 235 N 1.20 3.91 -0.37 7.40 0.00 0.10 -4.29 121.76 129.72 3bnj s ALA 235 Ca 0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3bnj s ALA 235 Cb -0.14 -1.74 0.09 0.00 0.00 0.00 0.00 23.12 21.33 3bnj s ALA 235 CO -0.10 0.79 0.12 -1.64 0.00 0.00 0.00 175.76 174.94 3bnj s MET 236 N -2.55 2.08 -0.22 0.00 -1.94 0.45 0.07 119.30 117.19 3bnj s MET 236 Ca 0.34 -1.65 -0.09 0.00 -1.71 0.00 0.00 55.69 52.58 3bnj s MET 236 Cb -0.13 -3.42 -0.04 0.00 2.01 0.00 0.00 34.83 33.25 3bnj s MET 236 CO 0.27 -0.91 0.11 0.08 -0.01 0.00 0.00 175.02 174.55 3bnj s VAL 237 N 1.15 4.98 0.11 -6.03 1.01 -0.41 -4.56 120.40 116.66 3bnj s VAL 237 Ca 0.04 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 3bnj s VAL 237 Cb -0.21 -3.29 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 3bnj s VAL 237 CO -0.04 0.39 1.84 0.52 0.00 0.00 0.00 175.10 177.82 3bnj n VAL 238 N 4.05 0.38 -3.98 2.92 0.31 -1.26 -0.86 118.33 119.90 3bnj n VAL 238 Ca -0.16 -0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 3bnj n VAL 238 Cb 0.52 -2.10 -0.15 0.00 -0.91 0.00 0.00 33.84 31.20 3bnj n VAL 238 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3bnj s THR 239 N 2.82 0.20 -0.20 2.52 2.01 -0.09 -4.76 115.64 118.13 3bnj s THR 239 Ca 0.83 -0.02 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 3bnj s THR 239 Cb -0.50 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3bnj s THR 239 CO 0.38 0.10 0.46 -0.76 -0.69 0.00 0.00 174.62 174.11 3bnj s LEU 240 N 0.46 4.16 -0.76 4.42 1.43 -1.26 -0.77 118.68 126.35 3bnj s LEU 240 Ca -0.04 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 3bnj s LEU 240 Cb -0.07 -2.62 -0.14 0.00 0.03 0.00 0.00 46.19 43.39 3bnj s LEU 240 CO -0.01 -0.12 3.20 -0.81 0.23 0.00 0.00 176.35 178.84 3bnj n PRO 241 N 4.58 2.89 -0.18 1.29 -0.04 -1.26 -4.51 135.00 137.77 3bnj n PRO 241 Ca -0.07 -1.77 0.08 0.00 -0.04 0.00 0.00 63.50 61.70 3bnj n PRO 241 Cb 0.51 -2.37 0.17 0.00 -0.04 0.00 0.00 33.50 31.77 3bnj n PRO 241 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3bnj n TRP 242 N 2.70 0.47 0.34 0.54 8.01 -1.26 -4.53 117.44 123.70 3bnj n TRP 242 Ca 0.59 -0.37 0.14 0.00 -1.31 0.00 0.00 57.50 56.55 3bnj n TRP 242 Cb 0.57 -0.01 0.60 0.00 -2.01 0.00 0.00 31.31 30.46 3bnj n TRP 242 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3bnj h SER 243 N 2.81 0.00 -0.32 -0.99 4.64 -1.79 0.12 113.55 118.01 3bnj h SER 243 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bnj h SER 243 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3bnj h SER 243 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3bnj n LYS 244 N -2.55 2.30 0.00 4.77 5.02 -1.26 -4.70 118.16 121.74 3bnj n LYS 244 Ca 0.01 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.19 3bnj n LYS 244 Cb 0.23 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3bnj n LYS 244 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bnj n GLY 245 N 1.27 1.11 0.81 0.72 0.00 0.42 -4.83 105.19 104.69 3bnj n GLY 245 Ca 0.17 -2.25 0.07 0.00 0.00 0.00 0.00 46.02 44.01 3bnj n GLY 245 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3bnj n ILE 246 N -0.70 0.90 -1.95 -0.61 -5.35 -1.26 -4.31 119.36 106.08 3bnj n ILE 246 Ca 0.00 -0.95 -0.32 0.00 -0.27 0.00 0.00 62.75 61.21 3bnj n ILE 246 Cb 0.00 0.58 0.01 0.00 -1.74 0.00 0.00 39.64 38.49 3bnj n ILE 246 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3bnj s SER 247 N -1.02 5.88 0.25 7.28 1.04 -1.26 -4.78 113.70 121.08 3bnj s SER 247 Ca 0.29 1.66 -0.04 0.00 0.48 0.00 0.00 55.95 58.34 3bnj s SER 247 Cb 0.15 -2.51 0.37 0.00 0.10 0.00 0.00 66.02 64.13 3bnj s SER 247 CO 0.20 -1.10 1.85 0.74 0.98 0.00 0.00 173.24 175.91 3bnj h THR 248 N 0.10 1.02 -0.17 2.02 2.02 -1.97 -0.46 112.91 115.48 3bnj h THR 248 Ca -0.46 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 3bnj h THR 248 Cb 1.21 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 3bnj h THR 248 CO 0.58 0.18 -0.42 -0.33 0.37 0.00 0.00 175.52 175.90 3bnj h GLU 249 N 0.98 0.39 -0.34 6.66 3.07 -1.98 0.71 114.58 124.07 3bnj h GLU 249 Ca 0.40 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 58.96 3bnj h GLU 249 Cb 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3bnj h GLU 249 CO -0.19 0.75 -0.17 1.96 -1.40 0.00 0.00 179.01 179.95 3bnj h GLN 250 N 0.32 0.73 -0.35 2.33 4.20 -1.71 -0.82 115.11 119.81 3bnj h GLN 250 Ca 0.03 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.31 3bnj h GLN 250 Cb 0.88 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3bnj h GLN 250 CO 0.07 0.93 -0.20 0.52 -0.67 0.00 0.00 178.83 179.48 3bnj h MET 251 N 0.50 0.66 -0.44 1.46 2.86 -0.93 0.36 114.93 119.41 3bnj h MET 251 Ca 0.08 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3bnj h MET 251 Cb 0.72 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3bnj h MET 251 CO 0.05 0.82 0.28 1.49 1.06 0.00 0.00 176.91 180.61 3bnj h GLU 252 N 0.59 0.58 -0.88 1.72 4.81 -0.70 0.06 114.58 120.76 3bnj h GLU 252 Ca 0.09 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3bnj h GLU 252 Cb 0.66 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 3bnj h GLU 252 CO 0.05 0.40 0.47 0.00 -0.73 0.00 0.00 179.01 179.19 3bnj h ALA 253 N 1.15 1.13 0.26 2.92 0.00 -0.68 0.33 119.26 124.37 3bnj h ALA 253 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bnj h ALA 253 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3bnj h ALA 253 CO -0.03 0.65 -0.23 -0.92 0.00 0.00 0.00 179.25 178.72 3bnj h TYR 254 N 1.24 -0.60 -0.36 0.00 5.03 -0.37 0.10 116.97 122.00 3bnj h TYR 254 Ca 0.31 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.53 3bnj h TYR 254 Cb 0.05 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 3bnj h TYR 254 CO 0.01 -0.34 -0.14 1.88 -1.32 0.00 0.00 178.16 178.25 3bnj h TYR 255 N -0.51 0.71 -0.53 -3.82 0.05 -0.74 -2.67 116.97 109.45 3bnj h TYR 255 Ca -0.01 -0.13 -0.10 0.00 0.05 0.00 0.00 58.73 58.54 3bnj h TYR 255 Cb 0.46 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 3bnj h TYR 255 CO -0.14 0.75 -0.05 -0.44 -1.05 0.00 0.00 178.16 177.23 3bnj h ASP 256 N 0.59 0.94 -0.59 3.88 3.32 -0.75 -0.41 116.42 123.39 3bnj h ASP 256 Ca 0.10 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3bnj h ASP 256 Cb 0.58 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3bnj h ASP 256 CO 0.04 1.02 0.33 -0.08 -1.72 0.00 0.00 179.24 178.84 3bnj h GLU 257 N 0.87 0.85 -0.50 3.56 4.81 -0.64 -0.94 114.58 122.57 3bnj h GLU 257 Ca 0.15 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3bnj h GLU 257 Cb 0.58 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3bnj h GLU 257 CO 0.04 0.63 0.00 0.44 -0.73 0.00 0.00 179.01 179.38 3bnj n ILE 258 N -4.38 0.66 -3.74 2.32 -5.35 -1.09 -4.94 119.36 102.85 3bnj n ILE 258 Ca 0.06 -0.75 -0.28 0.00 -0.27 0.00 0.00 62.75 61.50 3bnj n ILE 258 Cb 0.10 0.57 0.03 0.00 -1.74 0.00 0.00 39.64 38.60 3bnj n ILE 258 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3bnj n ASN 259 N 1.26 -4.92 -4.80 7.28 3.02 -0.36 -4.92 115.26 111.82 3bnj n ASN 259 Ca 0.20 -0.66 -0.37 0.00 -0.03 0.00 0.00 54.58 53.72 3bnj n ASN 259 Cb 0.53 -3.94 -0.06 0.00 -0.61 0.00 0.00 39.78 35.69 3bnj n ASN 259 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3bnj s PHE 260 N -3.23 3.70 -0.01 3.10 5.36 -0.25 -5.03 117.98 121.63 3bnj s PHE 260 Ca 0.59 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 58.07 3bnj s PHE 260 Cb -0.30 -2.70 0.01 0.00 -0.34 0.00 0.00 43.02 39.70 3bnj s PHE 260 CO 0.73 0.35 -0.01 0.00 -1.46 0.00 0.00 175.22 174.83 3bnj s ALA 261 N -1.47 0.18 0.23 11.12 0.00 -1.26 -4.80 121.76 125.76 3bnj s ALA 261 Ca 0.43 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.46 3bnj s ALA 261 Cb -0.18 -0.14 0.23 0.00 0.00 0.00 0.00 23.12 23.04 3bnj s ALA 261 CO 0.22 -0.01 1.56 -0.44 0.00 0.00 0.00 175.76 177.09 3bnj h ASP 262 N 6.55 0.33 -5.00 0.00 3.32 -0.77 -3.48 116.42 117.37 3bnj h ASP 262 Ca -0.33 -0.18 0.07 0.00 0.02 0.00 0.00 57.03 56.61 3bnj h ASP 262 Cb 1.17 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.53 3bnj h ASP 262 CO 0.50 0.84 0.33 -1.66 -1.72 0.00 0.00 179.24 177.53 3bnj s TRP 263 N -3.81 -0.31 -0.24 4.55 -2.14 -1.20 -5.03 118.94 110.76 3bnj s TRP 263 Ca -0.05 0.02 -0.13 0.00 2.66 0.00 0.00 56.10 58.61 3bnj s TRP 263 Cb 0.12 0.62 -0.04 0.00 -3.10 0.00 0.00 33.47 31.06 3bnj s TRP 263 CO 0.80 -0.90 0.26 0.99 -2.66 0.00 0.00 176.95 175.44 3bnj s THR 264 N -3.58 5.28 0.29 0.66 2.01 -1.26 -0.81 115.64 118.23 3bnj s THR 264 Ca 0.07 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 3bnj s THR 264 Cb -0.03 -3.60 -0.12 0.00 0.01 0.00 0.00 72.50 68.77 3bnj s THR 264 CO -0.03 0.28 1.57 1.57 -0.69 0.00 0.00 174.62 177.32 3bnj n HIS 265 N 4.59 2.78 0.28 4.92 -0.00 0.38 -4.79 115.22 123.38 3bnj n HIS 265 Ca -0.12 0.28 0.17 0.00 0.46 0.00 0.00 57.72 58.51 3bnj n HIS 265 Cb 0.52 -2.58 0.71 0.00 -0.12 0.00 0.00 29.99 28.51 3bnj n HIS 265 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3bnj h GLY 266 N 4.65 0.00 0.00 1.57 0.00 -1.32 -0.19 103.07 107.78 3bnj h GLY 266 Ca -0.47 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.54 3bnj h GLY 266 CO 0.78 0.00 -2.04 1.39 0.00 0.00 0.00 176.54 176.68 3bnj n ILE 267 N -3.13 1.23 1.02 2.60 5.41 -1.26 -4.74 119.36 120.50 3bnj n ILE 267 Ca 0.00 -0.24 0.11 0.00 1.00 0.00 0.00 62.75 63.62 3bnj n ILE 267 Cb 0.30 -1.85 0.03 0.00 -0.71 0.00 0.00 39.64 37.41 3bnj n ILE 267 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3bnj n SER 268 N -4.01 1.12 -2.08 4.38 3.41 -1.24 -3.95 113.62 111.25 3bnj n SER 268 Ca -0.39 -0.95 -0.21 0.00 -0.26 0.00 0.00 58.87 57.07 3bnj n SER 268 Cb 0.75 0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 65.32 3bnj n SER 268 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bnj n LYS 269 N -1.10 -1.57 -2.67 4.33 4.01 -0.08 -4.80 118.16 116.28 3bnj n LYS 269 Ca 0.06 1.08 -0.39 0.00 -0.51 0.00 0.00 58.31 58.56 3bnj n LYS 269 Cb 0.36 -5.63 -0.05 0.00 -0.51 0.00 0.00 35.03 29.20 3bnj n LYS 269 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3bnj s THR 270 N -2.94 3.94 -0.48 -0.18 2.01 -1.26 -4.54 115.64 112.19 3bnj s THR 270 Ca 0.00 1.78 -0.28 0.00 0.31 0.00 0.00 61.69 63.50 3bnj s THR 270 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.45 3bnj s THR 270 CO 0.00 0.30 1.52 -2.16 -0.69 0.00 0.00 174.62 173.59 3bnj s PRO 271 N -1.67 3.33 0.10 4.92 0.04 -1.26 -0.47 135.00 139.98 3bnj s PRO 271 Ca 0.47 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.31 3bnj s PRO 271 Cb -0.25 -4.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 3bnj s PRO 271 CO 0.31 -1.88 0.25 -1.64 0.04 0.00 0.00 177.00 174.07 3bnj s MET 272 N 5.50 3.45 -0.08 4.56 -1.94 0.01 -4.73 119.30 126.06 3bnj s MET 272 Ca 0.61 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 54.12 3bnj s MET 272 Cb -0.14 -3.00 -0.02 0.00 2.01 0.00 0.00 34.83 33.68 3bnj s MET 272 CO 0.29 0.56 -0.14 -0.51 -0.01 0.00 0.00 175.02 175.20 3bnj s LEU 273 N -2.85 2.69 -0.23 -0.03 1.43 -1.26 0.03 118.68 118.46 3bnj s LEU 273 Ca 0.35 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3bnj s LEU 273 Cb -0.12 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 3bnj s LEU 273 CO 0.28 0.27 0.13 -0.75 0.23 0.00 0.00 176.35 176.51 3bnj s LYS 274 N -0.25 4.01 0.06 1.70 2.47 -1.26 -4.49 119.74 121.97 3bnj s LYS 274 Ca 0.01 -0.31 -0.22 0.00 -1.56 0.00 0.00 55.97 53.90 3bnj s LYS 274 Cb -0.13 -3.45 -0.06 0.00 -1.46 0.00 0.00 37.83 32.72 3bnj s LYS 274 CO 0.03 0.07 0.64 0.00 0.16 0.00 0.00 175.35 176.26 3bnj s ALA 275 N 0.99 3.50 -0.15 3.13 0.00 -1.26 -4.91 121.76 123.06 3bnj s ALA 275 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3bnj s ALA 275 Cb -0.13 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.22 3bnj s ALA 275 CO 0.04 0.25 -0.17 -0.65 0.00 0.00 0.00 175.76 175.23 3bnj s GLN 276 N -0.64 2.53 -0.07 0.00 1.11 -1.26 -4.90 119.66 116.42 3bnj s GLN 276 Ca 0.32 -0.66 -0.00 0.00 0.01 0.00 0.00 55.36 55.03 3bnj s GLN 276 Cb -0.20 -2.22 0.00 0.00 -1.01 0.00 0.00 33.01 29.59 3bnj s GLN 276 CO 0.20 -0.18 0.05 -2.39 0.01 0.00 0.00 175.29 172.99 3bnj n HIS 277 N 4.56 -0.19 -0.98 0.91 1.44 -1.20 -2.84 115.22 116.92 3bnj n HIS 277 Ca -0.19 0.08 -0.22 0.00 -2.01 0.00 0.00 57.72 55.39 3bnj n HIS 277 Cb 0.50 -0.24 -0.09 0.00 0.12 0.00 0.00 29.99 30.29 3bnj n HIS 277 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3bnj n PRO 278 N -0.63 2.42 -0.04 -1.40 -0.04 -1.26 -2.15 135.00 131.90 3bnj n PRO 278 Ca -0.03 -1.39 -0.12 0.00 -0.04 0.00 0.00 63.50 61.92 3bnj n PRO 278 Cb 0.06 -2.30 -0.07 0.00 -0.04 0.00 0.00 33.50 31.16 3bnj n PRO 278 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3bnj h ASP 279 N 4.43 0.20 -0.26 3.54 3.32 -1.77 -1.76 116.42 124.12 3bnj h ASP 279 Ca 0.45 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 3bnj h ASP 279 Cb 0.78 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3bnj h ASP 279 CO 0.96 0.45 -0.13 -0.25 -1.72 0.00 0.00 179.24 178.54 3bnj h TRP 280 N -0.04 0.64 -0.57 4.55 7.01 -1.34 -0.75 115.95 125.45 3bnj h TRP 280 Ca 0.04 -0.16 0.04 0.00 2.11 0.00 0.00 58.89 60.92 3bnj h TRP 280 Cb 0.34 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 3bnj h TRP 280 CO 0.03 0.81 0.31 0.93 -2.79 0.00 0.00 178.44 177.73 3bnj h GLU 281 N 0.29 0.58 -0.10 2.65 3.07 -1.78 -0.84 114.58 118.44 3bnj h GLU 281 Ca 0.06 -0.03 -0.23 0.00 -0.50 0.00 0.00 59.36 58.66 3bnj h GLU 281 Cb 0.64 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3bnj h GLU 281 CO 0.04 0.38 -0.84 -0.07 -1.40 0.00 0.00 179.01 177.12 3bnj h LEU 282 N 0.59 0.82 -1.40 1.33 4.07 -1.32 -3.06 115.31 116.35 3bnj h LEU 282 Ca 0.25 -0.57 0.16 0.00 0.08 0.00 0.00 57.88 57.79 3bnj h LEU 282 Cb 0.12 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.55 3bnj h LEU 282 CO -0.15 1.36 0.56 0.22 -1.08 0.00 0.00 178.44 179.35 3bnj h TYR 283 N 0.44 0.68 0.00 1.13 3.20 -0.67 0.31 116.97 122.06 3bnj h TYR 283 Ca -0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 3bnj h TYR 283 Cb 1.46 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.52 3bnj h TYR 283 CO 0.08 0.24 -0.01 0.87 -1.64 0.00 0.00 178.16 177.70 3bnj h LYS 284 N 0.57 0.00 -0.00 1.82 1.79 -1.06 -2.19 116.57 117.50 3bnj h LYS 284 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 3bnj h LYS 284 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 3bnj h LYS 284 CO -0.18 0.01 -0.41 0.25 -1.08 0.00 0.00 179.45 178.04 3bnj n THR 285 N -3.26 0.00 -3.05 -0.16 -2.24 0.11 -4.39 114.28 101.28 3bnj n THR 285 Ca -0.02 -0.06 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 3bnj n THR 285 Cb 0.12 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3bnj n THR 285 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3bnj s GLY 286 N -2.79 1.48 0.24 3.38 0.00 -0.82 -4.89 107.32 103.92 3bnj s GLY 286 Ca 0.17 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 3bnj s GLY 286 CO 0.63 -0.78 1.77 1.19 0.00 0.00 0.00 173.10 175.90 3bnj h ILE 287 N 0.48 1.25 -0.34 0.90 2.10 -1.85 0.17 117.51 120.22 3bnj h ILE 287 Ca -0.47 -0.91 -0.01 0.00 1.08 0.00 0.00 64.86 64.54 3bnj h ILE 287 Cb 1.23 0.61 -0.02 0.00 -1.09 0.00 0.00 36.82 37.55 3bnj h ILE 287 CO 0.59 0.35 0.15 0.45 -1.08 0.00 0.00 178.15 178.61 3bnj h HIS 288 N 0.95 0.50 -0.75 2.19 3.86 -1.87 0.47 115.15 120.50 3bnj h HIS 288 Ca 0.20 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.43 3bnj h HIS 288 Cb 0.34 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.61 3bnj h HIS 288 CO 0.02 0.44 0.45 0.78 0.86 0.00 0.00 177.93 180.49 3bnj h GLY 289 N 0.41 1.11 1.28 2.45 0.00 -1.54 -1.10 103.07 105.68 3bnj h GLY 289 Ca 0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3bnj h GLY 289 CO -0.01 0.23 0.16 1.46 0.00 0.00 0.00 176.54 178.37 3bnj h GLN 290 N 0.84 0.90 0.00 4.80 4.20 -0.40 -2.25 115.11 123.20 3bnj h GLN 290 Ca 0.32 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3bnj h GLN 290 Cb 0.14 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3bnj h GLN 290 CO -0.16 0.80 0.00 1.63 -0.67 0.00 0.00 178.83 180.43 3bnj n LYS 291 N -4.27 0.81 -0.79 1.46 4.76 0.11 -4.91 118.16 115.32 3bnj n LYS 291 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3bnj n LYS 291 Cb 0.23 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3bnj n LYS 291 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bnj n GLY 292 N 0.99 0.58 3.69 0.72 0.00 -0.84 -5.03 105.19 105.30 3bnj n GLY 292 Ca 0.20 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3bnj n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bnj s VAL 293 N -2.00 4.07 0.49 1.61 1.01 -0.48 -4.97 120.40 120.13 3bnj s VAL 293 Ca 0.00 1.41 -0.04 0.00 0.00 0.00 0.00 61.98 63.36 3bnj s VAL 293 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3bnj s VAL 293 CO 0.00 0.00 0.77 -0.94 0.00 0.00 0.00 175.10 174.93 3bnj s SER 294 N 1.59 6.04 0.29 3.32 1.04 -1.26 -4.29 113.70 120.43 3bnj s SER 294 Ca 0.59 0.73 0.03 0.00 0.48 0.00 0.00 55.95 57.77 3bnj s SER 294 Cb -0.27 -1.98 0.68 0.00 0.10 0.00 0.00 66.02 64.54 3bnj s SER 294 CO 0.24 -0.68 1.74 0.00 0.98 0.00 0.00 173.24 175.51 3bnj h ALA 296 N 1.64 1.27 -0.96 0.00 0.00 -1.87 0.06 119.26 119.41 3bnj h ALA 296 Ca 0.54 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3bnj h ALA 296 Cb 0.89 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3bnj h ALA 296 CO -0.43 0.43 0.63 -0.44 0.00 0.00 0.00 179.25 179.45 3bnj h ASP 297 N 0.00 1.08 0.19 0.00 3.32 -1.47 0.18 116.42 119.71 3bnj h ASP 297 Ca -0.00 -0.02 -0.35 0.00 0.02 0.00 0.00 57.03 56.68 3bnj h ASP 297 Cb 0.68 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3bnj h ASP 297 CO 0.04 0.76 -2.01 0.00 -1.72 0.00 0.00 179.24 176.32 3bnj n HIS 299 N -3.31 0.39 -3.12 0.00 8.25 -0.02 -4.41 115.22 112.99 3bnj n HIS 299 Ca -0.30 0.11 -0.21 0.00 -0.26 0.00 0.00 57.72 57.06 3bnj n HIS 299 Cb 1.05 -0.64 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 3bnj n HIS 299 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3bnj n MET 300 N -2.34 1.68 -1.25 -0.41 2.81 0.62 -4.36 117.12 113.87 3bnj n MET 300 Ca -0.01 -3.85 -0.33 0.00 -1.81 0.00 0.00 57.70 51.70 3bnj n MET 300 Cb 0.53 -1.86 0.11 0.00 -0.71 0.00 0.00 33.22 31.29 3bnj n MET 300 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3bnj s PRO 301 N -2.67 1.96 0.33 0.03 0.04 -1.19 -4.03 135.00 129.46 3bnj s PRO 301 Ca 0.42 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 62.78 3bnj s PRO 301 Cb 0.31 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.92 3bnj s PRO 301 CO -0.10 -1.93 0.89 0.71 0.04 0.00 0.00 177.00 176.61 3bnj s TYR 302 N -2.38 3.58 -0.16 0.56 2.02 -1.26 -1.16 117.35 118.55 3bnj s TYR 302 Ca 0.69 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 59.02 3bnj s TYR 302 Cb -0.24 -2.82 0.00 0.00 -0.40 0.00 0.00 41.96 38.50 3bnj s TYR 302 CO 0.50 0.16 -0.16 0.99 -1.57 0.00 0.00 175.55 175.47 3bnj s THR 303 N -1.74 2.60 -0.23 -0.71 2.01 0.73 -4.94 115.64 113.35 3bnj s THR 303 Ca 0.51 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.56 3bnj s THR 303 Cb -0.16 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3bnj s THR 303 CO 0.20 0.51 0.47 -1.58 -0.69 0.00 0.00 174.62 173.54 3bnj s GLN 304 N 0.90 4.12 -0.44 4.92 2.00 -1.26 -0.93 119.66 128.97 3bnj s GLN 304 Ca -0.04 0.28 0.03 0.00 -2.00 0.00 0.00 55.36 53.63 3bnj s GLN 304 Cb -0.15 -3.60 0.13 0.00 0.80 0.00 0.00 33.01 30.18 3bnj s GLN 304 CO -0.02 -0.22 0.21 -1.21 -0.50 0.00 0.00 175.29 173.56 3bnj s GLU 305 N 1.88 1.48 7.93 1.67 2.02 0.12 -5.01 118.70 128.78 3bnj s GLU 305 Ca 0.21 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 53.09 3bnj s GLU 305 Cb -0.15 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3bnj s GLU 305 CO 0.09 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.67 3bnj n GLY 306 N 3.59 3.87 0.01 -1.39 0.00 -1.26 -1.81 105.19 108.20 3bnj n GLY 306 Ca 0.06 0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3bnj n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bnj n ALA 307 N 12.25 2.55 -2.85 4.61 0.00 -1.26 -4.83 120.51 130.98 3bnj n ALA 307 Ca 0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 53.44 52.94 3bnj n ALA 307 Cb 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.92 3bnj n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3bnj s VAL 308 N -2.80 4.19 -0.11 0.00 1.01 -0.75 -5.10 120.40 116.83 3bnj s VAL 308 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3bnj s VAL 308 Cb 0.19 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3bnj s VAL 308 CO 0.52 0.52 -0.12 -0.75 0.00 0.00 0.00 175.10 175.27 3bnj s LYS 309 N 0.04 3.22 -0.04 2.72 2.20 -1.26 0.12 119.74 126.74 3bnj s LYS 309 Ca 0.02 -0.65 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 3bnj s LYS 309 Cb -0.13 -2.62 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 3bnj s LYS 309 CO 0.02 0.32 -0.21 0.71 -0.36 0.00 0.00 175.35 175.83 3bnj s TYR 310 N 0.07 2.00 -0.10 4.03 2.02 -0.10 -4.96 117.35 120.30 3bnj s TYR 310 Ca -0.04 -0.50 -0.19 0.00 -0.37 0.00 0.00 57.07 55.96 3bnj s TYR 310 Cb -0.14 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 3bnj s TYR 310 CO 0.04 -0.13 0.53 -1.12 -1.57 0.00 0.00 175.55 173.30 3bnj s SER 311 N -0.24 6.76 -0.24 2.29 0.01 -1.26 -0.19 113.70 120.83 3bnj s SER 311 Ca 0.01 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 57.89 3bnj s SER 311 Cb -0.11 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 3bnj s SER 311 CO 0.01 -0.01 1.64 -0.62 0.41 0.00 0.00 173.24 174.67 3bnj s ASP 312 N 0.59 6.31 0.00 2.44 -1.08 -0.31 -4.85 116.67 119.76 3bnj s ASP 312 Ca 0.28 1.55 0.22 0.00 -0.52 0.00 0.00 52.55 54.09 3bnj s ASP 312 Cb -0.16 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.54 3bnj s ASP 312 CO 0.12 -1.33 1.57 1.41 0.52 0.00 0.00 175.17 177.46 3bnj n HIS 313 N 8.72 0.19 -2.59 -5.34 8.25 -1.26 -4.29 115.22 118.91 3bnj n HIS 313 Ca 0.19 -0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3bnj n HIS 313 Cb 0.45 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 3bnj n HIS 313 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3bnj s LYS 314 N -1.81 3.84 -0.07 -0.41 2.20 -1.13 -3.91 119.74 118.45 3bnj s LYS 314 Ca 0.33 -1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 53.97 3bnj s LYS 314 Cb 0.18 -5.45 -0.04 0.00 -1.51 0.00 0.00 37.83 31.01 3bnj s LYS 314 CO 0.28 -2.22 1.38 0.08 -0.36 0.00 0.00 175.35 174.51 3bnj s VAL 315 N 4.42 3.93 0.00 4.02 1.01 -1.26 -4.86 120.40 127.66 3bnj s VAL 315 Ca 0.50 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3bnj s VAL 315 Cb 0.02 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3bnj s VAL 315 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3bnj n GLY 316 N 3.69 3.15 3.55 4.51 0.00 -1.26 -4.69 105.19 114.13 3bnj n GLY 316 Ca 0.14 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3bnj n GLY 316 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bnj s ASN 317 N 2.00 6.42 0.64 1.61 3.84 -1.26 -4.92 114.94 123.27 3bnj s ASN 317 Ca 0.00 -0.06 0.39 0.00 0.21 0.00 0.00 52.86 53.39 3bnj s ASN 317 Cb 0.00 -2.38 2.18 0.00 -0.55 0.00 0.00 41.25 40.50 3bnj s ASN 317 CO 0.00 -0.88 2.31 -0.65 -2.79 0.00 0.00 177.10 175.08 3bnj h PRO 318 N 8.91 0.00 0.00 0.43 0.11 -1.94 -0.71 132.00 138.80 3bnj h PRO 318 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3bnj h PRO 318 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3bnj h PRO 318 CO 0.95 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.67 3bnj h LEU 319 N 0.00 0.00 -0.24 2.35 3.38 -1.93 -1.57 115.31 117.31 3bnj h LEU 319 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bnj h LEU 319 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3bnj h LEU 319 CO -0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3bnj n ASP 320 N -2.39 0.57 -2.76 -0.43 8.00 -0.27 -4.21 116.55 115.06 3bnj n ASP 320 Ca 0.02 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 56.01 3bnj n ASP 320 Cb 0.27 -0.73 0.04 0.00 -0.02 0.00 0.00 41.12 40.68 3bnj n ASP 320 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3bnj n ASN 321 N -2.07 0.64 0.02 -2.24 5.15 -0.60 -4.99 115.26 111.16 3bnj n ASN 321 Ca 0.04 -2.77 -0.06 0.00 -0.60 0.00 0.00 54.58 51.19 3bnj n ASN 321 Cb 0.32 -0.19 0.12 0.00 -0.53 0.00 0.00 39.78 39.50 3bnj n ASN 321 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 3bnj h MET 322 N 2.84 0.48 -0.96 1.20 2.86 -1.71 -0.18 114.93 119.47 3bnj h MET 322 Ca -0.09 -0.26 0.11 0.00 -2.06 0.00 0.00 59.70 57.40 3bnj h MET 322 Cb 1.16 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.75 3bnj h MET 322 CO 0.39 0.83 0.59 0.22 1.06 0.00 0.00 176.91 180.01 3bnj h ASP 323 N 0.39 0.87 0.45 1.22 1.82 -1.94 0.22 116.42 119.45 3bnj h ASP 323 Ca 0.03 0.04 -0.31 0.00 -0.39 0.00 0.00 57.03 56.41 3bnj h ASP 323 Cb 0.93 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 3bnj h ASP 323 CO 0.08 0.48 -1.55 0.11 -1.61 0.00 0.00 179.24 176.75 3bnj h LYS 324 N 0.96 0.24 0.00 0.28 1.79 -1.87 -3.26 116.57 114.71 3bnj h LYS 324 Ca 0.47 -0.40 -0.26 0.00 -2.18 0.00 0.00 60.65 58.27 3bnj h LYS 324 Cb 0.42 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 3bnj h LYS 324 CO -0.25 1.09 -1.41 0.77 -1.08 0.00 0.00 179.45 178.57 3bnj h SER 325 N 0.06 0.01 0.00 0.86 0.02 -0.59 -3.43 113.55 110.48 3bnj h SER 325 Ca -0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3bnj h SER 325 Cb 2.01 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 3bnj h SER 325 CO 0.15 1.01 -0.87 0.00 -1.14 0.00 0.00 176.83 175.98 3bnj n MET 327 N -2.31 0.68 0.16 0.00 2.81 -0.67 -1.93 117.12 115.86 3bnj n MET 327 Ca 0.00 -0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.01 3bnj n MET 327 Cb 0.44 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 31.91 3bnj n MET 327 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3bnj h ASN 328 N 0.04 0.00 0.00 7.83 -0.26 -1.84 -3.34 115.58 118.01 3bnj h ASN 328 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3bnj h ASN 328 Cb 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 3bnj h ASN 328 CO 0.00 0.00 -0.67 0.00 -1.06 0.00 0.00 177.43 175.70 3bnj s HIS 330 N -1.49 2.55 0.63 0.00 3.76 -0.81 -5.13 115.29 114.79 3bnj s HIS 330 Ca 0.00 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.51 3bnj s HIS 330 Cb 0.00 -1.62 0.11 0.00 1.11 0.00 0.00 32.58 32.19 3bnj s HIS 330 CO 0.00 -0.04 0.87 0.54 -0.85 0.00 0.00 174.74 175.25 3bnj n ARG 331 N 2.69 0.35 -1.45 1.40 1.74 -1.26 -4.50 116.66 115.63 3bnj n ARG 331 Ca -0.17 -2.95 0.18 0.00 -0.77 0.00 0.00 57.85 54.14 3bnj n ARG 331 Cb 0.52 -0.39 -0.08 0.00 -1.02 0.00 0.00 32.46 31.49 3bnj n ARG 331 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3bnj n GLU 332 N -2.47 -3.17 -0.98 5.56 -0.00 -1.26 -4.98 120.64 113.34 3bnj n GLU 332 Ca 0.16 2.45 -0.33 0.00 -0.00 0.00 0.00 57.16 59.45 3bnj n GLU 332 Cb 0.59 -3.78 0.14 0.00 -0.00 0.00 0.00 31.44 28.39 3bnj n GLU 332 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3bnj s SER 333 N -7.19 3.37 0.17 -1.84 1.04 -1.26 -4.89 113.70 103.10 3bnj s SER 333 Ca 0.00 2.32 -0.12 0.00 0.48 0.00 0.00 55.95 58.63 3bnj s SER 333 Cb 0.00 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.60 3bnj s SER 333 CO 0.00 -2.81 1.70 -0.33 0.98 0.00 0.00 173.24 172.78 3bnj h GLU 334 N -1.21 0.91 -0.79 4.02 5.08 -1.99 -2.94 114.58 117.66 3bnj h GLU 334 Ca -0.45 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 57.69 3bnj h GLU 334 Cb 1.29 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3bnj h GLU 334 CO 0.45 0.81 0.41 0.37 -1.00 0.00 0.00 179.01 180.05 3bnj h GLN 335 N 0.83 1.11 -0.54 2.33 5.75 -1.98 0.93 115.11 123.54 3bnj h GLN 335 Ca 0.19 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 3bnj h GLN 335 Cb 0.28 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3bnj h GLN 335 CO -0.01 0.84 0.15 0.87 -2.65 0.00 0.00 178.83 178.04 3bnj h LYS 336 N 1.10 0.86 -0.43 1.69 1.57 -1.92 0.82 116.57 120.26 3bnj h LYS 336 Ca 0.28 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3bnj h LYS 336 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3bnj h LYS 336 CO -0.04 0.79 0.05 1.25 -0.57 0.00 0.00 179.45 180.93 3bnj h LEU 337 N 0.76 0.70 -0.97 2.94 5.85 -1.29 -1.30 115.31 121.99 3bnj h LEU 337 Ca 0.17 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3bnj h LEU 337 Cb 0.31 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3bnj h LEU 337 CO -0.00 0.80 0.63 0.11 -0.34 0.00 0.00 178.44 179.64 3bnj h LYS 338 N 0.57 1.13 -0.66 1.25 1.57 -0.60 -1.41 116.57 118.42 3bnj h LYS 338 Ca 0.13 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3bnj h LYS 338 Cb 0.41 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3bnj h LYS 338 CO 0.01 0.75 0.10 -0.44 -0.57 0.00 0.00 179.45 179.31 3bnj h ASP 339 N 1.17 1.06 -0.54 0.86 3.32 -0.43 -0.84 116.42 121.02 3bnj h ASP 339 Ca 0.41 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3bnj h ASP 339 Cb 0.11 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3bnj h ASP 339 CO -0.16 1.05 0.19 0.40 -1.72 0.00 0.00 179.24 179.01 3bnj h ILE 340 N 1.02 1.23 -0.77 0.35 2.04 -0.74 -1.07 117.51 119.57 3bnj h ILE 340 Ca 0.20 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3bnj h ILE 340 Cb 0.45 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3bnj h ILE 340 CO 0.01 0.28 0.31 0.58 0.00 0.00 0.00 178.15 179.34 3bnj h VAL 341 N 0.74 1.26 -0.62 1.67 2.07 -1.04 -1.99 116.25 118.34 3bnj h VAL 341 Ca 0.18 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3bnj h VAL 341 Cb 0.24 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3bnj h VAL 341 CO -0.01 0.32 0.37 0.50 0.02 0.00 0.00 177.57 178.77 3bnj h LYS 342 N 1.10 0.85 -0.91 1.57 3.64 -0.78 -0.51 116.57 121.53 3bnj h LYS 342 Ca 0.26 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 3bnj h LYS 342 Cb 0.20 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3bnj h LYS 342 CO -0.02 0.61 0.58 1.96 -2.27 0.00 0.00 179.45 180.31 3bnj h GLN 343 N 0.84 1.07 -0.63 1.90 4.20 -0.82 0.10 115.11 121.77 3bnj h GLN 343 Ca 0.22 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3bnj h GLN 343 Cb -0.01 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 3bnj h GLN 343 CO -0.04 0.71 0.32 0.87 -0.67 0.00 0.00 178.83 180.02 3bnj h LYS 344 N 1.10 0.90 -0.56 1.46 1.57 -0.61 -1.09 116.57 119.35 3bnj h LYS 344 Ca 0.37 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3bnj h LYS 344 Cb 0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3bnj h LYS 344 CO -0.14 0.71 0.31 0.35 -0.57 0.00 0.00 179.45 180.11 3bnj h PHE 345 N 0.87 0.76 -0.54 -1.35 3.57 -0.20 -1.76 116.94 118.28 3bnj h PHE 345 Ca 0.22 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3bnj h PHE 345 Cb 0.09 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3bnj h PHE 345 CO -0.00 0.54 0.09 0.93 -2.23 0.00 0.00 178.31 177.64 3bnj h GLU 346 N 0.75 0.85 -0.40 1.11 5.08 -0.66 0.62 114.58 121.93 3bnj h GLU 346 Ca 0.20 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3bnj h GLU 346 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3bnj h GLU 346 CO -0.03 0.80 -0.05 0.00 -1.00 0.00 0.00 179.01 178.73 3bnj h ARG 347 N 0.81 0.75 -0.31 2.33 3.08 -0.92 -1.61 114.38 118.51 3bnj h ARG 347 Ca 0.17 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3bnj h ARG 347 Cb 0.36 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3bnj h ARG 347 CO 0.01 0.86 0.20 -0.22 -1.07 0.00 0.00 179.97 179.74 3bnj h LYS 348 N 0.57 0.40 -0.83 0.04 3.11 -0.99 -2.37 116.57 116.51 3bnj h LYS 348 Ca 0.11 -0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.96 3bnj h LYS 348 Cb 0.55 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 3bnj h LYS 348 CO 0.03 0.28 0.53 0.93 -2.81 0.00 0.00 179.45 178.41 3bnj h GLU 349 N 0.41 0.98 -0.01 1.90 4.39 -0.68 0.23 114.58 121.80 3bnj h GLU 349 Ca 0.11 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.77 3bnj h GLU 349 Cb -0.03 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 3bnj h GLU 349 CO -0.02 0.65 -0.07 0.35 -1.16 0.00 0.00 179.01 178.76 3bnj h PHE 350 N 1.01 -0.17 -0.01 4.33 3.57 -1.08 -0.46 116.94 124.12 3bnj h PHE 350 Ca 0.34 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.67 3bnj h PHE 350 Cb 0.05 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3bnj h PHE 350 CO -0.03 -0.11 -0.77 -0.07 -2.23 0.00 0.00 178.31 175.11 3bnj h LEU 351 N -0.12 0.18 -0.36 0.59 3.38 -1.02 -2.78 115.31 115.18 3bnj h LEU 351 Ca 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3bnj h LEU 351 Cb 0.16 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3bnj h LEU 351 CO -0.08 0.87 0.12 -0.61 0.09 0.00 0.00 178.44 178.83 3bnj h GLN 352 N 0.09 0.55 -0.56 1.13 4.15 -0.32 -0.56 115.11 119.60 3bnj h GLN 352 Ca -0.02 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.19 3bnj h GLN 352 Cb 1.34 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3bnj h GLN 352 CO 0.11 0.56 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.13 3bnj h ASP 353 N 0.43 0.94 0.12 -0.69 3.32 -1.05 -0.09 116.42 119.40 3bnj h ASP 353 Ca 0.12 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3bnj h ASP 353 Cb 0.23 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3bnj h ASP 353 CO -0.01 1.00 -0.06 0.40 -1.72 0.00 0.00 179.24 178.86 3bnj h ILE 354 N 0.89 0.96 -0.51 0.35 2.04 -1.38 -1.49 117.51 118.38 3bnj h ILE 354 Ca 0.16 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3bnj h ILE 354 Cb 0.53 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3bnj h ILE 354 CO 0.03 0.07 0.29 0.00 0.00 0.00 0.00 178.15 178.54 3bnj h ALA 355 N 0.58 0.65 0.00 1.87 0.00 -0.79 -1.80 119.26 119.76 3bnj h ALA 355 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bnj h ALA 355 Cb 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3bnj h ALA 355 CO 0.03 0.14 -0.01 0.74 0.00 0.00 0.00 179.25 180.15 3bnj h PHE 356 N 0.67 0.00 -0.17 0.00 0.04 -1.02 0.55 116.94 117.01 3bnj h PHE 356 Ca 0.18 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 3bnj h PHE 356 Cb 0.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 3bnj h PHE 356 CO -0.02 0.01 -0.18 0.22 -0.60 0.00 0.00 178.31 177.73 3bnj h ASP 357 N 0.00 0.46 -0.16 2.17 3.58 -0.86 -0.02 116.42 121.59 3bnj h ASP 357 Ca -0.00 -0.48 -0.13 0.00 0.42 0.00 0.00 57.03 56.84 3bnj h ASP 357 Cb 0.85 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 3bnj h ASP 357 CO 0.00 0.85 -0.34 0.78 -2.88 0.00 0.00 179.24 177.65 3bnj h ASN 358 N 0.08 0.70 -0.36 2.28 2.35 -1.06 -0.80 115.58 118.76 3bnj h ASN 358 Ca 0.03 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 3bnj h ASN 358 Cb 0.72 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3bnj h ASN 358 CO 0.04 0.98 0.19 0.40 -1.65 0.00 0.00 177.43 177.39 3bnj h ILE 359 N 0.56 1.14 -0.46 2.81 2.04 -0.89 0.84 117.51 123.55 3bnj h ILE 359 Ca 0.06 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3bnj h ILE 359 Cb 0.85 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3bnj h ILE 359 CO 0.07 0.15 0.16 1.23 0.00 0.00 0.00 178.15 179.76 3bnj h GLY 360 N 0.45 0.75 1.02 5.37 0.00 -0.76 -0.55 103.07 109.36 3bnj h GLY 360 Ca 0.12 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3bnj h GLY 360 CO -0.02 0.40 0.45 0.50 0.00 0.00 0.00 176.54 177.87 3bnj h LYS 361 N 0.60 1.18 -0.62 4.80 1.57 -1.02 -1.22 116.57 121.86 3bnj h LYS 361 Ca 0.15 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3bnj h LYS 361 Cb 0.24 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3bnj h LYS 361 CO -0.01 0.87 0.24 0.00 -0.57 0.00 0.00 179.45 179.99 3bnj h ALA 362 N 1.24 0.80 -0.33 3.86 0.00 -0.27 0.20 119.26 124.76 3bnj h ALA 362 Ca 0.29 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3bnj h ALA 362 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3bnj h ALA 362 CO -0.05 0.42 0.20 0.45 0.00 0.00 0.00 179.25 180.27 3bnj h HIS 363 N 0.86 0.37 -0.48 0.00 3.86 -0.76 -0.73 115.15 118.27 3bnj h HIS 363 Ca 0.20 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 3bnj h HIS 363 Cb 0.21 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3bnj h HIS 363 CO 0.01 0.22 -0.09 -0.07 0.86 0.00 0.00 177.93 178.86 3bnj h LEU 364 N 0.41 0.92 -1.12 2.43 3.38 -0.75 -0.48 115.31 120.10 3bnj h LEU 364 Ca 0.13 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3bnj h LEU 364 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3bnj h LEU 364 CO -0.05 1.05 0.05 -0.33 0.09 0.00 0.00 178.44 179.25 3bnj h GLU 365 N 0.77 0.67 -0.41 1.13 5.08 -0.52 -0.07 114.58 121.22 3bnj h GLU 365 Ca 0.12 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3bnj h GLU 365 Cb 0.64 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3bnj h GLU 365 CO 0.04 0.65 -0.11 1.15 -1.00 0.00 0.00 179.01 179.74 3bnj h THR 366 N 0.64 1.27 -1.00 1.13 2.02 -0.74 -0.19 112.91 116.06 3bnj h THR 366 Ca 0.14 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 66.12 3bnj h THR 366 Cb 0.33 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 3bnj h THR 366 CO 0.01 0.41 0.66 1.23 0.37 0.00 0.00 175.52 178.20 3bnj h GLY 367 N 0.63 1.42 0.92 2.16 0.00 -0.62 0.81 103.07 108.38 3bnj h GLY 367 Ca 0.10 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 3bnj h GLY 367 CO 0.04 0.49 -0.01 1.70 0.00 0.00 0.00 176.54 178.76 3bnj h LYS 368 N 1.33 0.63 -0.90 4.80 1.63 -0.76 -0.84 116.57 122.46 3bnj h LYS 368 Ca 0.37 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3bnj h LYS 368 Cb -0.12 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.41 3bnj h LYS 368 CO -0.09 0.75 0.60 0.00 -3.45 0.00 0.00 179.45 177.26 3bnj h ALA 369 N 0.86 1.14 -0.56 5.00 0.00 -0.41 -1.21 119.26 124.08 3bnj h ALA 369 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3bnj h ALA 369 Cb 0.47 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3bnj h ALA 369 CO 0.02 0.54 0.36 0.52 0.00 0.00 0.00 179.25 180.70 3bnj h MET 370 N 1.22 0.72 -0.53 0.00 2.86 -0.56 -0.05 114.93 118.59 3bnj h MET 370 Ca 0.33 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3bnj h MET 370 Cb -0.14 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.33 3bnj h MET 370 CO -0.07 0.48 0.34 1.49 1.06 0.00 0.00 176.91 180.21 3bnj h GLU 371 N 0.74 0.70 0.00 1.72 4.81 -0.11 -1.09 114.58 121.36 3bnj h GLU 371 Ca 0.21 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3bnj h GLU 371 Cb -0.07 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.15 3bnj h GLU 371 CO -0.05 0.47 0.00 1.28 -0.73 0.00 0.00 179.01 179.98 3bnj n LEU 372 N -4.45 0.22 0.00 1.64 4.77 -0.56 -4.90 117.00 113.73 3bnj n LEU 372 Ca 0.05 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3bnj n LEU 372 Cb 0.06 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3bnj n LEU 372 CO 0.36 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3bnj n GLY 373 N 1.36 1.29 3.78 -0.72 0.00 -0.41 -5.01 105.19 105.47 3bnj n GLY 373 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3bnj n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bnj s ALA 374 N -2.00 3.60 0.47 4.61 0.00 -0.09 -4.96 121.76 123.38 3bnj s ALA 374 Ca 0.00 1.59 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 3bnj s ALA 374 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3bnj s ALA 374 CO 0.00 -1.07 0.80 0.95 0.00 0.00 0.00 175.76 176.44 3bnj s THR 375 N -1.00 4.86 0.30 0.00 -4.23 -1.26 -4.62 115.64 109.70 3bnj s THR 375 Ca 0.54 0.38 0.04 0.00 -1.18 0.00 0.00 61.69 61.47 3bnj s THR 375 Cb -0.47 -3.82 0.30 0.00 1.34 0.00 0.00 72.50 69.84 3bnj s THR 375 CO 0.62 -0.77 1.82 0.44 -0.54 0.00 0.00 174.62 176.20 3bnj h ASP 376 N 0.51 0.84 -0.72 3.99 3.32 -1.96 -1.17 116.42 121.22 3bnj h ASP 376 Ca -0.47 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 3bnj h ASP 376 Cb 1.20 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 3bnj h ASP 376 CO 0.62 0.40 0.33 0.00 -1.72 0.00 0.00 179.24 178.88 3bnj h ALA 377 N 1.58 0.93 0.00 3.45 0.00 -2.00 -0.23 119.26 123.00 3bnj h ALA 377 Ca 0.51 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3bnj h ALA 377 Cb 0.66 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3bnj h ALA 377 CO -0.29 0.51 -0.18 0.93 0.00 0.00 0.00 179.25 180.23 3bnj h GLU 378 N 1.02 0.00 -0.02 0.00 5.08 -1.69 -3.02 114.58 115.95 3bnj h GLU 378 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3bnj h GLU 378 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3bnj h GLU 378 CO -0.03 0.18 -0.09 1.28 -1.00 0.00 0.00 179.01 179.35 3bnj n LEU 379 N -3.44 2.45 0.06 1.33 4.77 -0.54 -4.68 117.00 116.95 3bnj n LEU 379 Ca -0.00 -0.95 -0.12 0.00 -0.03 0.00 0.00 56.01 54.90 3bnj n LEU 379 Cb 0.36 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3bnj n LEU 379 CO 0.32 0.43 0.84 0.50 -1.33 0.00 0.00 177.39 178.14 3bnj h LYS 380 N 3.46 -0.06 -0.53 3.23 3.64 -0.93 0.63 116.57 126.01 3bnj h LYS 380 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3bnj h LYS 380 Cb 0.78 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3bnj h LYS 380 CO 0.00 -0.01 0.08 0.93 -2.27 0.00 0.00 179.45 178.19 3bnj h GLU 381 N -0.10 0.88 -0.33 1.90 5.08 -1.83 -1.09 114.58 119.09 3bnj h GLU 381 Ca -0.01 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3bnj h GLU 381 Cb 0.08 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3bnj h GLU 381 CO 0.01 0.86 -0.02 0.82 -1.00 0.00 0.00 179.01 179.68 3bnj h ILE 382 N 0.76 0.73 -0.65 3.13 2.04 -1.79 -0.80 117.51 120.93 3bnj h ILE 382 Ca 0.16 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 3bnj h ILE 382 Cb 0.41 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3bnj h ILE 382 CO 0.01 0.01 0.23 0.03 0.00 0.00 0.00 178.15 178.44 3bnj h ARG 383 N 0.07 0.97 -0.59 2.37 3.08 -0.53 0.07 114.38 119.82 3bnj h ARG 383 Ca 0.16 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3bnj h ARG 383 Cb 0.23 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3bnj h ARG 383 CO -0.29 0.81 0.20 1.15 -1.07 0.00 0.00 179.97 180.77 3bnj h THR 384 N 0.95 1.24 -0.82 2.04 2.02 -0.70 0.76 112.91 118.39 3bnj h THR 384 Ca 0.22 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3bnj h THR 384 Cb 0.22 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3bnj h THR 384 CO -0.01 0.30 0.52 0.45 0.37 0.00 0.00 175.52 177.14 3bnj h HIS 385 N 0.83 1.07 -0.41 3.16 3.86 -0.46 -1.42 115.15 121.78 3bnj h HIS 385 Ca 0.19 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.32 3bnj h HIS 385 Cb 0.25 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3bnj h HIS 385 CO 0.02 0.70 -0.09 0.82 0.86 0.00 0.00 177.93 180.23 3bnj h ILE 386 N 1.12 1.27 -0.38 2.45 2.04 -0.45 0.23 117.51 123.79 3bnj h ILE 386 Ca 0.30 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 65.03 3bnj h ILE 386 Cb -0.08 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3bnj h ILE 386 CO -0.06 0.40 0.14 -0.09 0.00 0.00 0.00 178.15 178.54 3bnj h ARG 387 N 0.60 0.30 -0.30 2.37 2.43 -0.57 -0.29 114.38 118.93 3bnj h ARG 387 Ca 0.11 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 3bnj h ARG 387 Cb 0.61 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3bnj h ARG 387 CO 0.04 0.20 -0.53 0.45 -1.51 0.00 0.00 179.97 178.61 3bnj h HIS 388 N 0.31 1.10 -0.17 2.20 3.86 -1.08 -0.25 115.15 121.12 3bnj h HIS 388 Ca 0.17 -0.39 0.04 0.00 -1.16 0.00 0.00 60.37 59.04 3bnj h HIS 388 Cb 0.14 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 3bnj h HIS 388 CO -0.14 1.21 -0.10 0.00 0.86 0.00 0.00 177.93 179.77 3bnj h ALA 389 N 0.71 0.04 0.01 2.45 0.00 -0.21 -1.20 119.26 121.06 3bnj h ALA 389 Ca 0.02 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 3bnj h ALA 389 Cb 1.14 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3bnj h ALA 389 CO 0.12 -0.53 -0.90 0.37 0.00 0.00 0.00 179.25 178.31 3bnj h GLN 390 N -0.09 0.21 -0.43 0.00 4.15 -0.97 -0.94 115.11 117.05 3bnj h GLN 390 Ca 0.10 -0.24 0.03 0.00 0.77 0.00 0.00 58.65 59.31 3bnj h GLN 390 Cb 0.23 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3bnj h GLN 390 CO -0.22 0.97 0.23 2.35 -1.93 0.00 0.00 178.83 180.24 3bnj h TRP 391 N 0.11 0.44 -0.27 3.99 2.91 -0.84 0.28 115.95 122.57 3bnj h TRP 391 Ca -0.05 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.89 3bnj h TRP 391 Cb 1.53 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 30.04 3bnj h TRP 391 CO 0.03 0.24 -0.21 0.00 -1.03 0.00 0.00 178.44 177.47 3bnj h ARG 392 N 0.47 0.62 -0.41 2.65 3.08 -1.08 0.41 114.38 120.13 3bnj h ARG 392 Ca 0.18 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 3bnj h ARG 392 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3bnj h ARG 392 CO -0.10 0.90 -0.32 0.00 -1.07 0.00 0.00 179.97 179.38 3bnj h ALA 393 N 0.71 0.66 -0.36 0.04 0.00 -1.06 -1.73 119.26 117.52 3bnj h ALA 393 Ca 0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3bnj h ALA 393 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3bnj h ALA 393 CO 0.06 0.67 0.01 0.22 0.00 0.00 0.00 179.25 180.21 3bnj h ASP 394 N 0.76 0.62 -0.49 0.00 3.58 -0.39 -2.15 116.42 118.35 3bnj h ASP 394 Ca 0.08 -0.30 0.04 0.00 0.42 0.00 0.00 57.03 57.27 3bnj h ASP 394 Cb 0.89 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 3bnj h ASP 394 CO 0.08 0.76 0.33 0.24 -2.88 0.00 0.00 179.24 177.77 3bnj h MET 395 N 0.45 0.49 -0.42 0.28 2.86 -0.81 0.34 114.93 118.11 3bnj h MET 395 Ca 0.10 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 3bnj h MET 395 Cb 0.44 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3bnj h MET 395 CO 0.02 0.32 -0.18 0.00 1.06 0.00 0.00 176.91 178.13 3bnj h ALA 396 N 1.72 0.90 0.00 6.32 0.00 -0.84 -3.35 119.26 124.01 3bnj h ALA 396 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3bnj h ALA 396 Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3bnj h ALA 396 CO -0.05 0.63 -1.21 0.44 0.00 0.00 0.00 179.25 179.05 3bnj n ILE 397 N -4.13 0.00 0.19 0.00 -5.35 -0.78 -4.52 119.36 104.77 3bnj n ILE 397 Ca 0.01 -0.25 0.06 0.00 -0.27 0.00 0.00 62.75 62.29 3bnj n ILE 397 Cb 0.41 0.56 0.37 0.00 -1.74 0.00 0.00 39.64 39.24 3bnj n ILE 397 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bnj h ALA 398 N 1.75 1.05 -2.19 -1.28 0.00 -0.49 -3.36 119.26 114.74 3bnj h ALA 398 Ca 0.00 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.96 3bnj h ALA 398 Cb 0.53 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 3bnj h ALA 398 CO 0.00 0.44 0.26 0.20 0.00 0.00 0.00 179.25 180.15 3bnj s GLY 399 N -4.34 1.68 0.24 0.00 0.00 -1.26 -3.26 107.32 100.38 3bnj s GLY 399 Ca -0.00 -0.89 0.23 0.00 0.00 0.00 0.00 44.72 44.06 3bnj s GLY 399 CO 0.68 1.64 1.70 1.42 0.00 0.00 0.00 173.10 178.55 3bnj n HIS 400 N 6.35 0.77 0.96 1.90 -0.00 -1.26 -1.51 115.22 122.43 3bnj n HIS 400 Ca 0.01 0.30 0.11 0.00 -0.00 0.00 0.00 57.72 58.13 3bnj n HIS 400 Cb 0.48 -0.98 0.01 0.00 -0.00 0.00 0.00 29.99 29.50 3bnj n HIS 400 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3bnj n GLY 401 N 0.07 0.15 0.25 -1.41 0.00 -1.26 -4.59 105.19 98.40 3bnj n GLY 401 Ca 0.02 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.46 3bnj n GLY 401 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3bnj h SER 402 N 2.66 0.15 -0.15 1.61 0.02 -1.58 0.19 113.55 116.45 3bnj h SER 402 Ca 0.00 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3bnj h SER 402 Cb 0.76 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3bnj h SER 402 CO 0.00 0.24 0.19 2.19 -1.14 0.00 0.00 176.83 178.31 3bnj h PHE 403 N 0.16 0.00 0.00 3.45 -0.00 -1.81 0.12 116.94 118.86 3bnj h PHE 403 Ca 0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 57.97 57.65 3bnj h PHE 403 Cb 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.11 3bnj h PHE 403 CO 0.00 0.00 -2.33 0.34 -0.00 0.00 0.00 178.31 176.33 3bnj n PHE 404 N -3.65 0.00 -0.03 6.09 7.35 0.03 -3.79 117.46 123.47 3bnj n PHE 404 Ca 0.01 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.68 3bnj n PHE 404 Cb 0.30 -0.88 0.25 0.00 0.35 0.00 0.00 39.48 39.49 3bnj n PHE 404 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3bnj h HIS 405 N -0.20 0.62 -1.19 -5.13 3.86 -0.33 -3.35 115.15 109.42 3bnj h HIS 405 Ca -0.54 -0.08 -0.41 0.00 -1.16 0.00 0.00 60.37 58.19 3bnj h HIS 405 Cb 1.74 -0.17 -0.29 0.00 1.06 0.00 0.00 27.41 29.74 3bnj h HIS 405 CO 0.00 0.62 -0.87 0.00 0.86 0.00 0.00 177.93 178.54 3bnj n ALA 406 N -2.48 0.87 -0.21 2.45 0.00 0.37 -4.03 120.51 117.48 3bnj n ALA 406 Ca 0.01 -2.60 -0.06 0.00 0.00 0.00 0.00 53.44 50.80 3bnj n ALA 406 Cb 0.28 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.74 3bnj n ALA 406 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3bnj h PRO 407 N 3.61 0.79 -0.32 0.00 0.11 -1.65 -1.00 132.00 133.54 3bnj h PRO 407 Ca -0.00 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.92 3bnj h PRO 407 Cb 0.97 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3bnj h PRO 407 CO 0.38 0.53 -0.33 0.93 -0.21 0.00 0.00 178.00 179.30 3bnj h GLU 408 N 0.81 0.71 -0.52 1.05 5.08 -1.91 -1.36 114.58 118.45 3bnj h GLU 408 Ca 0.22 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3bnj h GLU 408 Cb -0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3bnj h GLU 408 CO -0.05 0.94 -0.03 1.49 -1.00 0.00 0.00 179.01 180.37 3bnj h GLU 409 N 0.60 0.94 -0.37 2.33 4.57 -1.85 -0.94 114.58 119.86 3bnj h GLU 409 Ca 0.06 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 57.94 3bnj h GLU 409 Cb 0.85 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 3bnj h GLU 409 CO 0.07 0.97 0.22 0.28 -1.18 0.00 0.00 179.01 179.38 3bnj h VAL 410 N 0.81 1.05 -0.53 0.32 2.07 -0.88 0.13 116.25 119.22 3bnj h VAL 410 Ca 0.14 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3bnj h VAL 410 Cb 0.57 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3bnj h VAL 410 CO 0.03 0.08 0.18 -0.07 0.02 0.00 0.00 177.57 177.82 3bnj h LEU 411 N 0.46 0.76 -0.82 2.57 3.38 -1.14 -0.64 115.31 119.87 3bnj h LEU 411 Ca 0.14 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3bnj h LEU 411 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3bnj h LEU 411 CO -0.06 0.75 0.44 -0.09 0.09 0.00 0.00 178.44 179.57 3bnj h ARG 412 N 0.72 1.15 -0.47 1.13 2.43 -0.79 -0.94 114.38 117.61 3bnj h ARG 412 Ca 0.17 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3bnj h ARG 412 Cb 0.25 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3bnj h ARG 412 CO -0.01 0.85 0.05 -0.07 -1.51 0.00 0.00 179.97 179.28 3bnj h LEU 413 N 1.14 0.78 -0.94 3.80 3.38 -0.34 0.95 115.31 124.08 3bnj h LEU 413 Ca 0.29 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3bnj h LEU 413 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3bnj h LEU 413 CO -0.05 0.86 -0.06 -0.07 0.09 0.00 0.00 178.44 179.22 3bnj h LEU 414 N 0.67 0.68 -0.47 1.67 3.38 -0.90 0.15 115.31 120.49 3bnj h LEU 414 Ca 0.14 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3bnj h LEU 414 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3bnj h LEU 414 CO 0.01 0.79 -0.22 0.00 0.09 0.00 0.00 178.44 179.12 3bnj h ALA 415 N 1.28 0.66 -0.27 1.53 0.00 -0.90 -0.45 119.26 121.10 3bnj h ALA 415 Ca 0.12 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3bnj h ALA 415 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3bnj h ALA 415 CO 0.03 0.65 -0.10 1.03 0.00 0.00 0.00 179.25 180.86 3bnj h SER 416 N 0.83 0.57 -0.53 0.00 0.87 -0.52 -1.07 113.55 113.70 3bnj h SER 416 Ca 0.11 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 3bnj h SER 416 Cb 0.80 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3bnj h SER 416 CO 0.07 0.83 0.23 1.23 -0.53 0.00 0.00 176.83 178.66 3bnj h GLY 417 N 0.30 0.84 1.09 5.77 0.00 -0.68 -1.76 103.07 108.64 3bnj h GLY 417 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3bnj h GLY 417 CO 0.03 0.42 0.34 -0.57 0.00 0.00 0.00 176.54 176.76 3bnj h ASN 418 N 0.72 1.06 -0.59 0.19 -0.00 -0.96 -0.95 115.58 115.04 3bnj h ASN 418 Ca 0.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 3bnj h ASN 418 Cb 0.16 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 38.18 3bnj h ASN 418 CO -0.02 0.92 0.34 -0.08 -0.00 0.00 0.00 177.43 178.59 3bnj h GLU 419 N 1.14 0.82 -0.83 6.67 4.57 -0.75 0.67 114.58 126.86 3bnj h GLU 419 Ca 0.27 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3bnj h GLU 419 Cb 0.17 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3bnj h GLU 419 CO -0.03 0.61 0.51 0.93 -1.18 0.00 0.00 179.01 179.84 3bnj h GLU 420 N 0.80 1.13 -0.65 1.92 4.39 -0.90 -0.10 114.58 121.18 3bnj h GLU 420 Ca 0.21 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3bnj h GLU 420 Cb 0.01 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 3bnj h GLU 420 CO -0.04 0.79 0.13 0.00 -1.16 0.00 0.00 179.01 178.73 3bnj h ALA 421 N 1.27 0.86 -0.25 3.43 0.00 -0.56 -1.62 119.26 122.40 3bnj h ALA 421 Ca 0.30 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3bnj h ALA 421 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3bnj h ALA 421 CO -0.06 0.60 -0.37 1.96 0.00 0.00 0.00 179.25 181.38 3bnj h GLN 422 N 0.98 0.55 -0.83 0.00 1.08 -0.55 -0.28 115.11 116.05 3bnj h GLN 422 Ca 0.20 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3bnj h GLN 422 Cb 0.40 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 3bnj h GLN 422 CO 0.01 0.84 0.54 0.87 -0.95 0.00 0.00 178.83 180.14 3bnj h LYS 423 N 0.46 1.05 -0.62 1.46 1.57 -0.75 0.14 116.57 119.88 3bnj h LYS 423 Ca 0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3bnj h LYS 423 Cb 0.86 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3bnj h LYS 423 CO 0.07 0.70 0.34 0.00 -0.57 0.00 0.00 179.45 179.99 3bnj h ALA 424 N 1.32 0.80 -0.29 3.86 0.00 -0.83 -2.34 119.26 121.78 3bnj h ALA 424 Ca 0.31 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3bnj h ALA 424 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3bnj h ALA 424 CO -0.08 0.33 -0.37 0.00 0.00 0.00 0.00 179.25 179.12 3bnj h ARG 425 N 0.85 0.65 -0.56 0.00 3.08 -0.26 0.16 114.38 118.31 3bnj h ARG 425 Ca 0.22 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3bnj h ARG 425 Cb 0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3bnj h ARG 425 CO -0.03 0.92 0.36 0.82 -1.07 0.00 0.00 179.97 180.96 3bnj h ILE 426 N 0.54 1.15 -0.30 2.04 2.04 -0.90 -1.49 117.51 120.59 3bnj h ILE 426 Ca 0.05 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3bnj h ILE 426 Cb 0.88 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3bnj h ILE 426 CO 0.08 0.15 -0.19 0.11 0.00 0.00 0.00 178.15 178.30 3bnj h LYS 427 N 0.75 0.55 -0.22 2.37 1.57 -0.99 -2.86 116.57 117.74 3bnj h LYS 427 Ca 0.20 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3bnj h LYS 427 Cb -0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3bnj h LYS 427 CO -0.04 0.72 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.37 3bnj h LEU 428 N 0.50 0.35 -1.10 2.94 3.38 -0.17 -2.23 115.31 118.97 3bnj h LEU 428 Ca 0.08 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3bnj h LEU 428 Cb 0.61 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3bnj h LEU 428 CO 0.04 0.50 0.61 0.58 0.09 0.00 0.00 178.44 180.26 3bnj h VAL 429 N 0.34 1.23 -0.35 1.22 2.07 -1.04 0.16 116.25 119.87 3bnj h VAL 429 Ca 0.07 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 3bnj h VAL 429 Cb 0.42 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3bnj h VAL 429 CO 0.02 0.23 -0.38 0.11 0.02 0.00 0.00 177.57 177.57 3bnj h LYS 430 N 1.24 0.85 -0.23 1.57 1.57 -1.47 0.90 116.57 121.01 3bnj h LYS 430 Ca 0.34 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3bnj h LYS 430 Cb -0.14 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3bnj h LYS 430 CO -0.07 1.08 -0.04 0.28 -0.57 0.00 0.00 179.45 180.12 3bnj h VAL 431 N 0.70 1.28 -0.77 0.50 2.07 -0.97 -1.01 116.25 118.04 3bnj h VAL 431 Ca 0.06 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3bnj h VAL 431 Cb 0.96 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 3bnj h VAL 431 CO 0.09 0.32 0.49 -0.07 0.02 0.00 0.00 177.57 178.41 3bnj h LEU 432 N 0.17 0.79 -0.83 2.57 3.38 -0.57 -1.94 115.31 118.88 3bnj h LEU 432 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3bnj h LEU 432 Cb 0.49 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3bnj h LEU 432 CO 0.02 0.54 0.47 0.00 0.09 0.00 0.00 178.44 179.56 3bnj h ALA 433 N 1.34 1.06 -0.59 1.53 0.00 -0.62 0.12 119.26 122.09 3bnj h ALA 433 Ca 0.32 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3bnj h ALA 433 Cb 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3bnj h ALA 433 CO -0.12 0.55 0.39 -0.22 0.00 0.00 0.00 179.25 179.85 3bnj h LYS 434 N 1.15 0.55 -0.65 0.00 3.64 -0.43 -1.53 116.57 119.30 3bnj h LYS 434 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3bnj h LYS 434 Cb 0.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3bnj h LYS 434 CO -0.05 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.16 3bnj n TYR 435 N -4.47 1.59 -1.34 1.91 4.01 -0.69 -4.93 117.16 113.24 3bnj n TYR 435 Ca 0.08 -0.62 -0.00 0.00 -0.16 0.00 0.00 57.90 57.21 3bnj n TYR 435 Cb 0.24 -0.29 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3bnj n TYR 435 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bnj n GLY 436 N 1.06 0.38 2.44 2.72 0.00 -0.57 -4.95 105.19 106.27 3bnj n GLY 436 Ca 0.26 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 3bnj n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bnj n ALA 437 N 0.34 3.80 0.26 4.61 0.00 0.32 -4.86 120.51 124.98 3bnj n ALA 437 Ca -0.00 -3.28 0.10 0.00 0.00 0.00 0.00 53.44 50.26 3bnj n ALA 437 Cb 0.17 -0.61 0.68 0.00 0.00 0.00 0.00 19.45 19.69 3bnj n ALA 437 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3bnj h ILE 438 N 3.87 0.77 -0.47 0.00 2.10 -1.85 -1.56 117.51 120.38 3bnj h ILE 438 Ca 0.11 -0.44 0.00 0.00 1.08 0.00 0.00 64.86 65.61 3bnj h ILE 438 Cb 1.39 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 38.38 3bnj h ILE 438 CO 0.48 0.11 0.00 0.47 -1.08 0.00 0.00 178.15 178.13 3bnj n ASP 439 N -3.96 2.75 -4.75 2.19 8.00 -1.26 -4.89 116.55 114.63 3bnj n ASP 439 Ca -0.02 -2.08 -0.42 0.00 0.71 0.00 0.00 54.79 52.99 3bnj n ASP 439 Cb 0.20 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.93 3bnj n ASP 439 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bnj n TYR 440 N 0.84 2.88 -3.96 1.24 9.36 -0.59 -4.99 117.16 121.94 3bnj n TYR 440 Ca 0.16 0.27 -0.34 0.00 3.32 0.00 0.00 57.90 61.31 3bnj n TYR 440 Cb 0.46 -2.59 -0.14 0.00 -0.63 0.00 0.00 39.34 36.44 3bnj n TYR 440 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3bnj s VAL 441 N -0.12 2.87 0.40 2.97 1.01 -1.26 -5.09 120.40 121.18 3bnj s VAL 441 Ca 0.63 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 3bnj s VAL 441 Cb -0.49 -2.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 3bnj s VAL 441 CO 0.50 0.25 1.41 0.00 0.00 0.00 0.00 175.10 177.26 3bnj n ALA 442 N 4.68 1.97 -0.97 5.51 0.00 -1.26 -4.92 120.51 125.52 3bnj n ALA 442 Ca -0.17 0.31 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 3bnj n ALA 442 Cb 0.48 -2.37 0.13 0.00 0.00 0.00 0.00 19.45 17.69 3bnj n ALA 442 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bnj s PRO 443 N -2.16 1.55 0.44 0.00 0.04 -1.26 -4.98 135.00 128.62 3bnj s PRO 443 Ca 0.56 1.50 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 3bnj s PRO 443 Cb -0.49 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 3bnj s PRO 443 CO 0.61 -2.23 0.93 -0.51 0.04 0.00 0.00 177.00 175.84 3bnj s ASP 444 N -2.71 6.84 -0.32 6.66 1.01 -1.26 -4.98 116.67 121.91 3bnj s ASP 444 Ca 0.67 1.60 0.18 0.00 0.71 0.00 0.00 52.55 55.71 3bnj s ASP 444 Cb -0.23 -2.51 0.46 0.00 1.01 0.00 0.00 42.92 41.66 3bnj s ASP 444 CO 0.55 -0.39 1.01 2.22 0.21 0.00 0.00 175.17 178.77 3bnj n PHE 445 N -0.84 0.87 1.21 4.23 -1.74 -1.26 -4.73 117.46 115.21 3bnj n PHE 445 Ca 0.06 -2.61 0.13 0.00 -0.56 0.00 0.00 57.45 54.47 3bnj n PHE 445 Cb 0.54 -0.19 0.37 0.00 1.52 0.00 0.00 39.48 41.72 3bnj n PHE 445 CO 0.00 0.00 0.00 -0.85 -0.56 0.00 0.00 176.76 175.35 3bnj n GLU 446 N -0.20 0.69 -4.31 3.97 0.00 -1.26 -4.06 120.64 115.46 3bnj n GLU 446 Ca 0.07 -0.39 -0.21 0.00 0.00 0.00 0.00 57.16 56.63 3bnj n GLU 446 Cb 0.82 -1.49 -0.11 0.00 0.00 0.00 0.00 31.44 30.66 3bnj n GLU 446 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3bnj s THR 447 N -2.58 1.69 0.25 3.84 -4.23 -1.26 -4.80 115.64 108.54 3bnj s THR 447 Ca 0.22 -1.87 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3bnj s THR 447 Cb 0.19 -1.77 0.23 0.00 1.34 0.00 0.00 72.50 72.50 3bnj s THR 447 CO 0.55 -0.34 1.87 0.50 -0.54 0.00 0.00 174.62 176.65 3bnj h LYS 448 N 3.31 1.06 -0.34 3.99 3.64 -1.83 0.42 116.57 126.82 3bnj h LYS 448 Ca -0.42 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 3bnj h LYS 448 Cb 1.20 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3bnj h LYS 448 CO 0.51 0.70 0.15 0.93 -2.27 0.00 0.00 179.45 179.47 3bnj h GLU 449 N 1.09 0.49 -0.48 1.90 3.07 -1.96 0.24 114.58 118.92 3bnj h GLU 449 Ca 0.38 -0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 59.09 3bnj h GLU 449 Cb 0.11 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 3bnj h GLU 449 CO -0.15 0.46 0.01 0.87 -1.40 0.00 0.00 179.01 178.80 3bnj h LYS 450 N 0.41 0.85 -0.62 2.33 1.57 -1.82 -1.44 116.57 117.85 3bnj h LYS 450 Ca 0.12 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3bnj h LYS 450 Cb 0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3bnj h LYS 450 CO -0.01 0.89 0.18 0.00 -0.57 0.00 0.00 179.45 179.94 3bnj h ALA 451 N 0.93 0.81 -0.06 3.86 0.00 -0.64 -2.19 119.26 121.97 3bnj h ALA 451 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3bnj h ALA 451 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3bnj h ALA 451 CO 0.02 0.49 -0.33 1.96 0.00 0.00 0.00 179.25 181.39 3bnj h GLN 452 N 0.89 0.12 -0.37 0.00 4.20 -0.37 -0.40 115.11 119.19 3bnj h GLN 452 Ca 0.20 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3bnj h GLN 452 Cb 0.30 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3bnj h GLN 452 CO -0.00 0.44 0.15 -0.22 -0.67 0.00 0.00 178.83 178.53 3bnj h LYS 453 N 0.11 0.55 -0.28 1.46 3.64 -0.97 0.86 116.57 121.94 3bnj h LYS 453 Ca 0.01 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3bnj h LYS 453 Cb 0.64 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3bnj h LYS 453 CO 0.05 0.53 0.06 -0.07 -2.27 0.00 0.00 179.45 177.74 3bnj h LEU 454 N 0.45 0.37 -0.67 5.20 3.38 -0.82 -1.61 115.31 121.60 3bnj h LEU 454 Ca 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3bnj h LEU 454 Cb 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3bnj h LEU 454 CO -0.01 0.38 -0.00 0.00 0.09 0.00 0.00 178.44 178.90 3bnj n ALA 455 N -2.49 2.61 -3.68 1.53 0.00 -0.21 -4.94 120.51 113.34 3bnj n ALA 455 Ca 0.01 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 3bnj n ALA 455 Cb 0.17 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.40 3bnj n ALA 455 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3bnj n LYS 456 N -0.18 -5.90 -3.56 0.00 5.02 -0.20 -4.58 118.16 108.75 3bnj n LYS 456 Ca 0.20 0.70 -0.40 0.00 -2.02 0.00 0.00 58.31 56.79 3bnj n LYS 456 Cb 0.28 -5.51 -0.11 0.00 -0.02 0.00 0.00 35.03 29.68 3bnj n LYS 456 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bnj s VAL 457 N -3.47 5.01 -1.22 -0.18 1.01 0.12 -5.00 120.40 116.67 3bnj s VAL 457 Ca 0.24 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3bnj s VAL 457 Cb -0.11 -3.63 0.17 0.00 0.00 0.00 0.00 36.38 32.80 3bnj s VAL 457 CO 0.79 -0.07 1.48 -0.67 0.00 0.00 0.00 175.10 176.63 3bnj n ASP 458 N 5.07 5.20 -0.06 3.32 -0.08 -1.26 -4.65 116.55 124.09 3bnj n ASP 458 Ca -0.13 -2.98 -0.05 0.00 -1.51 0.00 0.00 54.79 50.12 3bnj n ASP 458 Cb 0.49 -1.57 0.14 0.00 2.34 0.00 0.00 41.12 42.52 3bnj n ASP 458 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 3bnj h MET 459 N 7.04 0.68 -0.62 -0.67 4.05 -1.95 -2.00 114.93 121.47 3bnj h MET 459 Ca 0.33 -0.24 0.09 0.00 -0.28 0.00 0.00 59.70 59.59 3bnj h MET 459 Cb 0.85 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.54 3bnj h MET 459 CO 1.28 0.82 0.27 0.93 0.23 0.00 0.00 176.91 180.44 3bnj h GLU 460 N 0.61 0.46 -0.49 0.39 5.08 -1.99 0.22 114.58 118.87 3bnj h GLU 460 Ca 0.10 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3bnj h GLU 460 Cb 0.64 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3bnj h GLU 460 CO 0.05 0.30 0.06 0.00 -1.00 0.00 0.00 179.01 178.42 3bnj h ALA 461 N 1.40 0.65 -0.66 3.43 0.00 -1.83 -1.14 119.26 121.10 3bnj h ALA 461 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3bnj h ALA 461 Cb 0.34 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3bnj h ALA 461 CO -0.28 0.39 0.32 0.74 0.00 0.00 0.00 179.25 180.43 3bnj h PHE 462 N 0.68 0.95 -0.30 0.00 0.04 -0.65 -1.92 116.94 115.74 3bnj h PHE 462 Ca 0.15 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 3bnj h PHE 462 Cb 0.41 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3bnj h PHE 462 CO 0.03 0.71 0.14 0.82 -0.60 0.00 0.00 178.31 179.42 3bnj h ILE 463 N 0.92 1.15 -0.51 -0.55 2.04 -0.44 -0.11 117.51 120.01 3bnj h ILE 463 Ca 0.23 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.67 3bnj h ILE 463 Cb 0.11 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3bnj h ILE 463 CO -0.03 0.16 0.30 0.00 0.00 0.00 0.00 178.15 178.58 3bnj h ALA 464 N 1.00 0.66 -0.59 1.87 0.00 -0.97 0.40 119.26 121.62 3bnj h ALA 464 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3bnj h ALA 464 Cb 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3bnj h ALA 464 CO -0.01 0.01 0.31 1.49 0.00 0.00 0.00 179.25 181.04 3bnj h GLU 465 N 0.61 0.84 -0.47 0.00 4.81 -1.24 -2.44 114.58 116.69 3bnj h GLU 465 Ca 0.21 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3bnj h GLU 465 Cb 0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3bnj h GLU 465 CO -0.09 0.66 0.21 -0.22 -0.73 0.00 0.00 179.01 178.84 3bnj h LYS 466 N 0.80 0.68 -0.83 1.92 1.63 -0.32 -1.75 116.57 118.71 3bnj h LYS 466 Ca 0.21 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3bnj h LYS 466 Cb 0.08 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.55 3bnj h LYS 466 CO -0.03 0.59 0.46 -0.07 -3.45 0.00 0.00 179.45 176.96 3bnj h LEU 467 N 0.61 1.03 -0.58 5.20 3.38 -0.75 0.47 115.31 124.66 3bnj h LEU 467 Ca 0.16 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3bnj h LEU 467 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3bnj h LEU 467 CO -0.02 0.82 0.38 0.50 0.09 0.00 0.00 178.44 180.22 3bnj h LYS 468 N 1.15 0.75 -0.42 1.13 3.64 -1.16 0.02 116.57 121.67 3bnj h LYS 468 Ca 0.29 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3bnj h LYS 468 Cb 0.02 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3bnj h LYS 468 CO -0.05 0.50 0.25 0.35 -2.27 0.00 0.00 179.45 178.23 3bnj h PHE 469 N 0.77 0.47 -0.39 1.91 3.57 -0.54 -2.23 116.94 120.50 3bnj h PHE 469 Ca 0.22 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3bnj h PHE 469 Cb -0.07 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3bnj h PHE 469 CO -0.04 0.27 -0.03 0.87 -2.23 0.00 0.00 178.31 177.16 3bnj h LYS 470 N 0.50 0.64 0.00 1.11 1.57 -0.36 -1.17 116.57 118.86 3bnj h LYS 470 Ca 0.17 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3bnj h LYS 470 Cb 0.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3bnj h LYS 470 CO -0.08 0.68 0.00 1.96 -0.57 0.00 0.00 179.45 181.44 3bnj h GLN 471 N 0.60 0.00 0.00 3.15 4.20 -0.74 -3.25 115.11 119.07 3bnj h GLN 471 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3bnj h GLN 471 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3bnj h GLN 471 CO 0.02 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.43 3bnj n THR 472 N -2.69 0.00 -0.26 -0.54 -2.24 -0.86 -4.70 114.28 102.99 3bnj n THR 472 Ca 0.04 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3bnj n THR 472 Cb 0.46 -0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.54 3bnj n THR 472 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3bnj h LEU 473 N 0.00 0.81 -0.86 3.22 5.85 -1.50 -1.46 115.31 121.37 3bnj h LEU 473 Ca 0.00 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3bnj h LEU 473 Cb 0.00 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 3bnj h LEU 473 CO 0.00 0.58 0.54 -0.08 -0.34 0.00 0.00 178.44 179.14 3bnj h GLU 474 N 0.96 0.97 -0.06 1.25 4.81 -1.41 0.72 114.58 121.82 3bnj h GLU 474 Ca 0.27 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 3bnj h GLU 474 Cb -0.09 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.05 3bnj h GLU 474 CO -0.07 0.64 -0.51 1.96 -0.73 0.00 0.00 179.01 180.31 3bnj h GLN 475 N 1.00 0.15 -0.60 1.92 1.08 -1.34 -1.71 115.11 115.62 3bnj h GLN 475 Ca 0.36 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.39 3bnj h GLN 475 Cb 0.12 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 3bnj h GLN 475 CO -0.16 0.63 0.05 0.93 -0.95 0.00 0.00 178.83 179.33 3bnj h GLU 476 N 0.12 1.03 -0.13 1.46 4.39 -0.37 -0.09 114.58 120.99 3bnj h GLU 476 Ca 0.00 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.43 3bnj h GLU 476 Cb 0.94 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 3bnj h GLU 476 CO 0.07 0.99 -0.05 -1.49 -1.16 0.00 0.00 179.01 177.38 3bnj h TRP 477 N 0.93 -0.10 -0.54 4.33 6.55 -0.34 0.28 115.95 127.06 3bnj h TRP 477 Ca 0.18 0.01 -0.08 0.00 0.95 0.00 0.00 58.89 59.95 3bnj h TRP 477 Cb 0.50 0.07 -0.02 0.00 -0.86 0.00 0.00 29.16 28.84 3bnj h TRP 477 CO 0.04 -0.08 0.04 0.87 -1.05 0.00 0.00 178.44 178.26 3bnj h LYS 478 N -0.02 0.92 -0.31 0.49 1.57 -1.20 -0.36 116.57 117.65 3bnj h LYS 478 Ca 0.07 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3bnj h LYS 478 Cb 0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3bnj h LYS 478 CO -0.15 0.92 0.10 -0.22 -0.57 0.00 0.00 179.45 179.53 3bnj h LYS 479 N 0.80 0.22 -0.39 3.15 3.64 -0.75 -0.70 116.57 122.55 3bnj h LYS 479 Ca 0.16 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3bnj h LYS 479 Cb 0.48 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3bnj h LYS 479 CO 0.02 0.15 -0.10 1.96 -2.27 0.00 0.00 179.45 179.21 3bnj h GLN 480 N 0.23 0.75 -0.74 1.90 4.20 -0.75 -0.41 115.11 120.30 3bnj h GLN 480 Ca 0.14 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3bnj h GLN 480 Cb 0.11 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3bnj h GLN 480 CO -0.15 0.89 0.33 0.00 -0.67 0.00 0.00 178.83 179.23 3bnj h ALA 481 N 0.84 1.19 -0.30 3.87 0.00 -0.88 -0.55 119.26 123.43 3bnj h ALA 481 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3bnj h ALA 481 Cb 0.62 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3bnj h ALA 481 CO 0.04 0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 3bnj h ILE 482 N 1.05 1.26 -0.89 0.00 2.04 -0.98 0.14 117.51 120.14 3bnj h ILE 482 Ca 0.25 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3bnj h ILE 482 Cb 0.15 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3bnj h ILE 482 CO -0.03 0.31 0.54 0.00 0.00 0.00 0.00 178.15 178.97 3bnj h ALA 483 N 0.83 1.13 0.00 1.87 0.00 -0.70 -1.73 119.26 120.67 3bnj h ALA 483 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bnj h ALA 483 Cb 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bnj h ALA 483 CO 0.02 0.59 0.00 1.63 0.00 0.00 0.00 179.25 181.49 3bnj n LYS 484 N -4.40 0.10 -1.00 0.00 5.02 -0.25 -4.90 118.16 112.72 3bnj n LYS 484 Ca 0.10 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3bnj n LYS 484 Cb 0.06 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 3bnj n LYS 484 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bnj n GLY 485 N 0.81 0.42 0.13 0.72 0.00 -0.65 -4.94 105.19 101.68 3bnj n GLY 485 Ca 0.05 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.17 3bnj n GLY 485 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bnj h ARG 486 N 0.00 0.00 -4.22 1.61 2.47 -0.97 -3.46 114.38 109.80 3bnj h ARG 486 Ca 0.00 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 58.31 3bnj h ARG 486 Cb 0.07 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 28.06 3bnj h ARG 486 CO 0.00 0.00 -0.78 -1.17 0.56 0.00 0.00 179.97 178.58 3bnj s LEU 487 N -5.49 1.55 -0.26 3.04 2.96 -0.99 -4.74 118.68 114.74 3bnj s LEU 487 Ca 0.01 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 3bnj s LEU 487 Cb 0.09 -0.47 -0.05 0.00 0.50 0.00 0.00 46.19 46.26 3bnj s LEU 487 CO 0.77 -0.00 0.20 0.21 -1.32 0.00 0.00 176.35 176.21 3bnj s ASN 488 N 0.58 6.08 0.59 3.68 3.84 -1.26 -4.19 114.94 124.27 3bnj s ASN 488 Ca -0.08 0.07 0.38 0.00 0.21 0.00 0.00 52.86 53.43 3bnj s ASN 488 Cb -0.12 -2.13 2.07 0.00 -0.55 0.00 0.00 41.25 40.52 3bnj s ASN 488 CO 0.00 -0.02 2.16 1.55 -2.79 0.00 0.00 177.10 178.00 3bnj h PRO 489 N 8.06 0.00 -0.52 0.43 0.13 -1.98 -0.39 132.00 137.73 3bnj h PRO 489 Ca -0.36 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.83 3bnj h PRO 489 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3bnj h PRO 489 CO 0.59 0.00 0.35 1.49 -0.23 0.00 0.00 178.00 180.20 3bnj h GLU 490 N 0.00 0.44 0.00 0.86 4.57 -2.01 -1.29 114.58 117.15 3bnj h GLU 490 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3bnj h GLU 490 Cb 0.09 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3bnj h GLU 490 CO 0.00 0.29 0.00 -1.13 -1.18 0.00 0.00 179.01 176.99 3bnj n SER 491 N -4.47 0.66 -0.23 1.04 3.41 -0.15 -2.58 113.62 111.30 3bnj n SER 491 Ca 0.07 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 3bnj n SER 491 Cb 0.25 -0.81 0.40 0.00 -0.26 0.00 0.00 64.21 63.79 3bnj n SER 491 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bnj n LEU 492 N -2.24 0.95 -4.66 1.04 4.77 -0.49 -4.78 117.00 111.60 3bnj n LEU 492 Ca 0.02 -0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 55.32 3bnj n LEU 492 Cb 0.22 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3bnj n LEU 492 CO 0.19 0.18 1.58 0.29 -1.33 0.00 0.00 177.39 178.31 3bnj n LYS 493 N -0.70 2.44 -0.99 3.23 5.02 -1.06 -1.50 118.16 124.60 3bnj n LYS 493 Ca 0.12 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 3bnj n LYS 493 Cb 0.34 -2.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 3bnj n LYS 493 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bnj n GLY 494 N 4.64 0.19 0.17 0.72 0.00 -1.26 -4.85 105.19 104.81 3bnj n GLY 494 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.31 3bnj n GLY 494 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3bnj h VAL 495 N 0.00 0.64 -0.98 1.61 3.04 -1.57 -3.33 116.25 115.66 3bnj h VAL 495 Ca 0.00 -1.74 -0.53 0.00 -1.01 0.00 0.00 66.70 63.42 3bnj h VAL 495 Cb 0.62 2.19 -0.42 0.00 -2.01 0.00 0.00 31.29 31.67 3bnj h VAL 495 CO 0.00 0.34 -0.83 -0.67 -1.01 0.00 0.00 177.57 175.40 3bnj n ASP 496 N -3.24 4.42 0.09 3.17 2.03 -1.26 -4.70 116.55 117.04 3bnj n ASP 496 Ca 0.02 -3.55 0.08 0.00 0.52 0.00 0.00 54.79 51.86 3bnj n ASP 496 Cb 0.62 -0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 40.60 3bnj n ASP 496 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3bnj h GLU 497 N 2.38 0.00 -3.73 -0.67 5.08 -1.96 -3.48 114.58 112.20 3bnj h GLU 497 Ca 0.28 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.46 3bnj h GLU 497 Cb 1.30 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.32 3bnj h GLU 497 CO 0.73 0.10 -0.64 0.15 -1.00 0.00 0.00 179.01 178.34 3bnj s LYS 498 N -3.22 0.23 0.02 2.33 1.02 -1.26 -0.32 119.74 118.54 3bnj s LYS 498 Ca -0.01 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.71 3bnj s LYS 498 Cb 0.09 0.09 -0.00 0.00 -0.52 0.00 0.00 37.83 37.49 3bnj s LYS 498 CO 0.79 -0.04 0.02 -1.13 -0.92 0.00 0.00 175.35 174.07 3bnj n SER 499 N 2.22 -0.06 0.05 2.83 3.41 -0.09 -4.97 113.62 117.02 3bnj n SER 499 Ca -0.18 -1.09 0.11 0.00 -0.26 0.00 0.00 58.87 57.44 3bnj n SER 499 Cb 0.57 0.11 0.44 0.00 -0.26 0.00 0.00 64.21 65.07 3bnj n SER 499 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3bnj n SER 500 N -2.30 0.28 0.00 4.04 3.41 -1.26 -3.80 113.62 113.99 3bnj n SER 500 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3bnj n SER 500 Cb 0.03 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3bnj n SER 500 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bnj n TYR 501 N -1.79 0.00 -3.71 7.33 4.11 -1.26 -5.02 117.16 116.82 3bnj n TYR 501 Ca 0.04 -0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.84 3bnj n TYR 501 Cb 0.26 -0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.55 3bnj n TYR 501 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 3bnj s TYR 502 N -0.01 -0.10 -0.27 -3.48 -0.85 -1.25 -5.13 117.35 106.26 3bnj s TYR 502 Ca 0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 3bnj s TYR 502 Cb 0.00 0.16 0.15 0.00 0.38 0.00 0.00 41.96 42.65 3bnj s TYR 502 CO 0.00 -0.64 0.42 0.34 -1.52 0.00 0.00 175.55 174.15 3bnj s ASP 503 N -2.75 0.14 0.00 -0.18 -1.08 -1.26 -0.91 116.67 110.64 3bnj s ASP 503 Ca 0.03 -0.06 0.20 0.00 -0.52 0.00 0.00 52.55 52.20 3bnj s ASP 503 Cb 0.02 1.21 0.89 0.00 -1.46 0.00 0.00 42.92 43.58 3bnj s ASP 503 CO -0.11 -0.33 1.62 0.29 0.52 0.00 0.00 175.17 177.17 3bnj n LYS 504 N 5.37 0.09 -0.62 4.34 5.02 0.57 -4.89 118.16 128.04 3bnj n LYS 504 Ca -0.01 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3bnj n LYS 504 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3bnj n LYS 504 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3bnj n THR 505 N -1.43 0.00 0.00 -0.18 -1.04 -1.26 -4.94 114.28 105.42 3bnj n THR 505 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3bnj n THR 505 Cb 0.21 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 3bnj n THR 505 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3bnj n LYS 506 N -2.62 1.16 0.00 -2.82 3.00 -1.26 -5.19 118.16 110.43 3bnj n LYS 506 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3bnj n LYS 506 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 35.03 34.05 3bnj n LYS 506 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57