#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6r h HIS 7 N 0.00 0.96 -0.14 0.66 6.17 -2.03 -2.25 115.15 118.53 3b6r h HIS 7 Ca 0.00 -0.23 -0.08 0.00 0.71 0.00 0.00 60.37 60.77 3b6r h HIS 7 Cb 0.00 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 29.69 3b6r h HIS 7 CO 0.00 0.99 -0.29 -0.97 0.71 0.00 0.00 177.93 178.37 3b6r h ASN 8 N 0.72 0.25 -0.36 3.26 -0.00 -1.99 -1.88 115.58 115.59 3b6r h ASN 8 Ca 0.09 -0.08 -0.03 0.00 -0.00 0.00 0.00 56.30 56.28 3b6r h ASN 8 Cb 0.78 -0.07 -0.02 0.00 -0.00 0.00 0.00 38.32 39.01 3b6r h ASN 8 CO 0.06 0.54 0.13 0.00 -0.00 0.00 0.00 177.43 178.17 3b6r h ALA 9 N 1.48 1.43 -0.22 1.57 0.00 -1.84 -0.76 119.26 120.92 3b6r h ALA 9 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3b6r h ALA 9 Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3b6r h ALA 9 CO 0.05 0.42 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 3b6r h LEU 10 N 0.61 0.39 -1.54 0.00 5.85 -0.86 -2.91 115.31 116.85 3b6r h LEU 10 Ca 0.14 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3b6r h LEU 10 Cb 0.19 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3b6r h LEU 10 CO -0.01 0.61 0.00 0.11 -0.34 0.00 0.00 178.44 178.81 3b6r h LYS 11 N 0.15 0.29 0.00 1.25 1.57 -1.06 -1.74 116.57 117.03 3b6r h LYS 11 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3b6r h LYS 11 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3b6r h LYS 11 CO 0.01 0.32 0.00 -0.07 -0.57 0.00 0.00 179.45 179.14 3b6r h LEU 12 N 0.29 0.00 -0.80 2.94 4.07 -0.95 -1.46 115.31 119.40 3b6r h LEU 12 Ca 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 3b6r h LEU 12 Cb 0.20 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 3b6r h LEU 12 CO 0.00 0.00 -0.03 0.03 -1.08 0.00 0.00 178.44 177.36 3b6r h ARG 13 N 0.00 0.00 -6.52 1.13 3.08 -1.25 -3.44 114.38 107.38 3b6r h ARG 13 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3b6r h ARG 13 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3b6r h ARG 13 CO 0.00 0.03 -0.02 -0.06 -1.07 0.00 0.00 179.97 178.85 3b6r s PHE 14 N -3.46 3.46 0.54 3.04 0.40 -0.55 -5.03 117.98 116.38 3b6r s PHE 14 Ca 0.04 1.06 -0.22 0.00 -0.60 0.00 0.00 56.93 57.21 3b6r s PHE 14 Cb 0.07 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 41.16 3b6r s PHE 14 CO 0.61 0.25 1.37 -2.14 0.70 0.00 0.00 175.22 176.01 3b6r s PRO 15 N -2.62 3.14 0.28 0.24 0.02 -1.26 -4.86 135.00 129.93 3b6r s PRO 15 Ca 0.47 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.77 3b6r s PRO 15 Cb -0.12 -2.27 0.62 0.00 0.02 0.00 0.00 34.50 32.75 3b6r s PRO 15 CO 0.20 -1.20 1.77 0.00 -0.33 0.00 0.00 177.00 177.43 3b6r h ALA 16 N 1.47 1.44 0.00 -1.55 0.00 -1.92 0.29 119.26 119.00 3b6r h ALA 16 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3b6r h ALA 16 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3b6r h ALA 16 CO 0.57 -0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.89 3b6r n GLU 17 N -4.84 0.03 0.08 0.00 0.28 -1.26 -0.92 120.64 114.01 3b6r n GLU 17 Ca 0.20 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 3b6r n GLU 17 Cb 0.50 -1.56 -0.04 0.00 1.43 0.00 0.00 31.44 31.76 3b6r n GLU 17 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3b6r h ASP 18 N 0.00 0.00 0.13 -1.84 5.19 -1.27 -3.31 116.42 115.31 3b6r h ASP 18 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3b6r h ASP 18 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 3b6r h ASP 18 CO 0.00 0.58 -1.48 -0.62 -3.12 0.00 0.00 179.24 174.61 3b6r n GLU 19 N -3.06 0.39 -1.68 3.56 -0.58 -0.75 -4.96 120.64 113.55 3b6r n GLU 19 Ca -0.04 -0.09 -0.45 0.00 -0.42 0.00 0.00 57.16 56.16 3b6r n GLU 19 Cb 0.81 -1.54 -0.04 0.00 -0.57 0.00 0.00 31.44 30.10 3b6r n GLU 19 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3b6r n PHE 20 N -2.00 2.46 -2.09 -0.32 7.35 -0.09 -4.94 117.46 117.82 3b6r n PHE 20 Ca -0.00 0.05 -0.39 0.00 -0.76 0.00 0.00 57.45 56.35 3b6r n PHE 20 Cb 0.47 -2.64 -0.00 0.00 0.35 0.00 0.00 39.48 37.66 3b6r n PHE 20 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3b6r s PRO 21 N 2.13 3.80 -0.65 -7.13 0.04 -1.26 -4.95 135.00 126.98 3b6r s PRO 21 Ca 0.82 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.64 3b6r s PRO 21 Cb -0.60 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.41 3b6r s PRO 21 CO 0.40 -0.59 1.08 0.34 0.04 0.00 0.00 177.00 178.26 3b6r s ASP 22 N -0.97 6.23 -0.27 6.66 2.15 -1.26 -4.84 116.67 124.37 3b6r s ASP 22 Ca 0.61 -0.59 0.10 0.00 0.43 0.00 0.00 52.55 53.10 3b6r s ASP 22 Cb -0.35 -2.48 0.50 0.00 -0.30 0.00 0.00 42.92 40.30 3b6r s ASP 22 CO 0.44 -1.52 1.45 0.18 -0.17 0.00 0.00 175.17 175.55 3b6r n LEU 23 N 8.24 4.05 0.08 -1.34 4.77 -1.26 -4.72 117.00 126.82 3b6r n LEU 23 Ca 0.01 -3.65 0.04 0.00 -0.03 0.00 0.00 56.01 52.37 3b6r n LEU 23 Cb 0.47 -0.62 0.45 0.00 -2.33 0.00 0.00 43.42 41.39 3b6r n LEU 23 CO 0.67 1.16 1.05 0.77 -1.33 0.00 0.00 177.39 179.71 3b6r h SER 24 N 1.09 0.31 -0.46 -1.43 4.64 -2.00 -2.39 113.55 113.31 3b6r h SER 24 Ca 0.18 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3b6r h SER 24 Cb 1.61 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3b6r h SER 24 CO 0.36 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 3b6r n ALA 25 N -2.49 2.63 -2.27 5.18 0.00 -1.26 -5.01 120.51 117.28 3b6r n ALA 25 Ca 0.01 -1.54 -0.30 0.00 0.00 0.00 0.00 53.44 51.61 3b6r n ALA 25 Cb 0.14 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 3b6r n ALA 25 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3b6r s HIS 26 N -1.62 3.48 -0.41 0.00 4.02 -0.90 -4.92 115.29 114.93 3b6r s HIS 26 Ca 0.38 0.93 0.08 0.00 1.02 0.00 0.00 55.06 57.47 3b6r s HIS 26 Cb 0.24 -2.35 0.25 0.00 -1.02 0.00 0.00 32.58 29.70 3b6r s HIS 26 CO 0.19 -0.05 0.60 0.09 1.02 0.00 0.00 174.74 176.59 3b6r n ASN 27 N -1.26 -0.33 -3.98 1.40 3.02 0.45 -4.98 115.26 109.57 3b6r n ASN 27 Ca 0.01 -2.82 -0.09 0.00 -0.03 0.00 0.00 54.58 51.65 3b6r n ASN 27 Cb 0.54 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 39.43 3b6r n ASN 27 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3b6r s ASN 28 N -1.33 0.22 0.27 6.41 2.20 -1.25 -3.14 114.94 118.31 3b6r s ASN 28 Ca 0.35 -0.87 -0.01 0.00 -0.94 0.00 0.00 52.86 51.39 3b6r s ASN 28 Cb 0.19 0.32 0.48 0.00 -2.00 0.00 0.00 41.25 40.24 3b6r s ASN 28 CO -0.13 -0.73 1.83 0.45 -2.94 0.00 0.00 177.10 175.57 3b6r h HIS 29 N 2.82 1.04 0.07 1.54 3.86 -0.76 -1.86 115.15 121.85 3b6r h HIS 29 Ca -0.34 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 58.91 3b6r h HIS 29 Cb 1.19 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 3b6r h HIS 29 CO 0.45 0.43 -0.12 1.98 0.86 0.00 0.00 177.93 181.53 3b6r h MET 30 N 0.93 -0.23 -0.87 2.45 1.85 -1.25 -2.59 114.93 115.23 3b6r h MET 30 Ca 0.45 0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.60 3b6r h MET 30 Cb 0.41 0.05 -0.05 0.00 0.43 0.00 0.00 31.60 32.44 3b6r h MET 30 CO -0.25 -0.15 0.57 0.00 -0.40 0.00 0.00 176.91 176.68 3b6r h ALA 31 N 0.67 1.49 -0.60 0.39 0.00 -1.72 -0.07 119.26 119.41 3b6r h ALA 31 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3b6r h ALA 31 Cb 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3b6r h ALA 31 CO -0.06 0.41 0.28 -0.22 0.00 0.00 0.00 179.25 179.66 3b6r h LYS 32 N 1.05 0.86 0.00 0.00 3.64 -0.99 -3.24 116.57 117.89 3b6r h LYS 32 Ca 0.35 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 3b6r h LYS 32 Cb 0.08 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3b6r h LYS 32 CO -0.11 0.67 -1.86 1.33 -2.27 0.00 0.00 179.45 177.21 3b6r n VAL 33 N -4.35 0.75 -2.14 2.00 0.24 -0.89 -4.83 118.33 109.11 3b6r n VAL 33 Ca 0.05 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.34 61.39 3b6r n VAL 33 Cb 0.14 -0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 32.11 3b6r n VAL 33 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3b6r s LEU 34 N -5.20 3.23 0.43 1.34 2.96 -0.09 -4.93 118.68 116.43 3b6r s LEU 34 Ca -0.06 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.15 3b6r s LEU 34 Cb 0.10 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3b6r s LEU 34 CO 0.85 -2.48 0.73 0.42 -1.32 0.00 0.00 176.35 174.55 3b6r s THR 35 N 9.05 4.93 0.34 3.68 -4.23 -1.26 -4.91 115.64 123.23 3b6r s THR 35 Ca 0.65 0.17 0.09 0.00 -1.18 0.00 0.00 61.69 61.42 3b6r s THR 35 Cb -0.07 -3.83 0.32 0.00 1.34 0.00 0.00 72.50 70.27 3b6r s THR 35 CO 0.01 -0.71 1.81 -0.65 -0.54 0.00 0.00 174.62 174.55 3b6r h PRO 36 N 0.61 0.67 -0.08 3.99 0.11 -2.00 -1.45 132.00 133.84 3b6r h PRO 36 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3b6r h PRO 36 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3b6r h PRO 36 CO 0.62 0.44 0.00 0.93 -0.21 0.00 0.00 178.00 179.79 3b6r h GLU 37 N 0.69 0.14 -0.71 1.05 3.07 -1.98 -2.62 114.58 114.21 3b6r h GLU 37 Ca 0.53 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3b6r h GLU 37 Cb 0.92 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.79 3b6r h GLU 37 CO -0.30 0.39 0.43 1.25 -1.40 0.00 0.00 179.01 179.38 3b6r h LEU 38 N -0.13 0.84 -0.14 1.33 5.85 -1.69 -1.35 115.31 120.03 3b6r h LEU 38 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3b6r h LEU 38 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3b6r h LEU 38 CO 0.00 0.65 0.04 0.22 -0.34 0.00 0.00 178.44 179.01 3b6r h TYR 39 N 0.98 0.23 -0.07 1.25 3.20 -1.23 -0.82 116.97 120.49 3b6r h TYR 39 Ca 0.26 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3b6r h TYR 39 Cb -0.04 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3b6r h TYR 39 CO 0.00 0.35 -0.09 0.00 -1.64 0.00 0.00 178.16 176.78 3b6r h ALA 40 N 0.85 1.71 -0.09 1.82 0.00 -1.21 0.44 119.26 122.79 3b6r h ALA 40 Ca 0.04 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3b6r h ALA 40 Cb 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3b6r h ALA 40 CO -0.00 0.22 -0.74 1.49 0.00 0.00 0.00 179.25 180.21 3b6r h GLU 41 N 0.11 0.46 0.00 0.00 4.81 -0.89 -3.38 114.58 115.69 3b6r h GLU 41 Ca 0.02 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3b6r h GLU 41 Cb 0.24 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3b6r h GLU 41 CO 0.01 1.01 -1.03 1.28 -0.73 0.00 0.00 179.01 179.56 3b6r n LEU 42 N -3.85 0.29 0.33 1.64 4.32 -0.34 -4.66 117.00 114.73 3b6r n LEU 42 Ca -0.05 -0.26 0.22 0.00 -0.02 0.00 0.00 56.01 55.90 3b6r n LEU 42 Cb 0.72 0.00 1.20 0.00 -1.62 0.00 0.00 43.42 43.72 3b6r n LEU 42 CO 0.49 0.07 1.18 0.08 -1.22 0.00 0.00 177.39 177.99 3b6r h ARG 43 N 0.00 0.00 0.00 3.23 0.11 -1.09 -1.55 114.38 115.08 3b6r h ARG 43 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3b6r h ARG 43 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 3b6r h ARG 43 CO 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 179.97 179.49 3b6r n ALA 44 N -2.07 3.33 -1.59 0.08 0.00 -1.26 -4.70 120.51 114.30 3b6r n ALA 44 Ca -0.03 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 3b6r n ALA 44 Cb 0.07 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.44 3b6r n ALA 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3b6r s LYS 45 N -3.07 2.99 -0.08 0.00 1.02 -0.59 -5.08 119.74 114.93 3b6r s LYS 45 Ca 0.09 0.95 -0.24 0.00 0.02 0.00 0.00 55.97 56.78 3b6r s LYS 45 Cb 0.16 -2.00 0.05 0.00 -0.52 0.00 0.00 37.83 35.53 3b6r s LYS 45 CO 0.71 -1.06 0.56 0.45 -0.92 0.00 0.00 175.35 175.09 3b6r s SER 46 N -3.80 -0.53 0.65 2.83 0.15 -1.26 -4.30 113.70 107.44 3b6r s SER 46 Ca 0.58 0.66 -0.06 0.00 0.70 0.00 0.00 55.95 57.83 3b6r s SER 46 Cb -0.14 0.63 0.04 0.00 -1.71 0.00 0.00 66.02 64.84 3b6r s SER 46 CO 0.55 -0.48 0.96 0.42 1.20 0.00 0.00 173.24 175.89 3b6r s THR 47 N -0.90 2.84 0.53 6.45 -4.23 -0.68 -4.91 115.64 114.75 3b6r s THR 47 Ca -0.09 -0.18 0.23 0.00 -1.18 0.00 0.00 61.69 60.47 3b6r s THR 47 Cb -0.02 -3.18 0.36 0.00 1.34 0.00 0.00 72.50 71.00 3b6r s THR 47 CO 0.06 -0.19 2.05 -0.65 -0.54 0.00 0.00 174.62 175.35 3b6r h PRO 48 N -0.40 0.00 -0.00 3.99 0.11 -1.97 0.16 132.00 133.89 3b6r h PRO 48 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3b6r h PRO 48 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3b6r h PRO 48 CO 0.60 0.00 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.20 3b6r n SER 49 N -4.38 0.51 0.00 -2.05 3.41 -1.26 -4.91 113.62 104.94 3b6r n SER 49 Ca 0.06 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 3b6r n SER 49 Cb 0.44 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3b6r n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b6r n GLY 50 N 1.20 0.78 3.70 5.00 0.00 0.57 -5.05 105.19 111.40 3b6r n GLY 50 Ca 0.17 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3b6r n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3b6r s PHE 51 N -2.00 3.49 0.48 1.61 5.36 -1.26 -4.75 117.98 120.92 3b6r s PHE 51 Ca 0.00 1.54 0.06 0.00 -0.96 0.00 0.00 56.93 57.57 3b6r s PHE 51 Cb 0.00 -3.23 -0.00 0.00 -0.34 0.00 0.00 43.02 39.45 3b6r s PHE 51 CO 0.00 -0.43 0.29 0.95 -1.46 0.00 0.00 175.22 174.57 3b6r s THR 52 N 1.69 1.96 0.25 0.12 -4.23 -1.26 -1.69 115.64 112.49 3b6r s THR 52 Ca 0.51 -1.58 -0.06 0.00 -1.18 0.00 0.00 61.69 59.38 3b6r s THR 52 Cb -0.21 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.31 3b6r s THR 52 CO 0.22 0.00 1.89 0.25 -0.54 0.00 0.00 174.62 176.44 3b6r h LEU 53 N 1.07 1.11 -1.35 4.79 5.85 -1.80 -0.84 115.31 124.13 3b6r h LEU 53 Ca -0.40 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3b6r h LEU 53 Cb 1.28 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3b6r h LEU 53 CO 0.63 0.86 0.25 0.44 -0.34 0.00 0.00 178.44 180.28 3b6r h ASP 54 N 1.26 0.62 -0.32 1.25 3.32 -1.93 -1.46 116.42 119.16 3b6r h ASP 54 Ca 0.33 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 3b6r h ASP 54 Cb -0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3b6r h ASP 54 CO -0.06 0.52 -0.10 0.44 -1.72 0.00 0.00 179.24 178.33 3b6r h ASP 55 N 0.70 0.64 -0.58 6.45 3.32 -1.64 -2.08 116.42 123.23 3b6r h ASP 55 Ca 0.18 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.88 3b6r h ASP 55 Cb 0.06 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3b6r h ASP 55 CO -0.03 0.87 0.35 0.58 -1.72 0.00 0.00 179.24 179.30 3b6r h VAL 56 N 0.41 1.07 -0.01 -1.35 2.07 -0.45 -3.17 116.25 114.81 3b6r h VAL 56 Ca 0.08 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3b6r h VAL 56 Cb 0.60 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3b6r h VAL 56 CO 0.04 0.13 -0.32 2.30 0.02 0.00 0.00 177.57 179.74 3b6r n ILE 57 N -4.75 0.00 -0.25 4.57 -5.35 -0.62 -1.53 119.36 111.44 3b6r n ILE 57 Ca 0.05 -0.15 0.05 0.00 -0.27 0.00 0.00 62.75 62.43 3b6r n ILE 57 Cb 0.08 0.57 0.16 0.00 -1.74 0.00 0.00 39.64 38.70 3b6r n ILE 57 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3b6r h GLN 58 N 1.39 0.14 -0.35 6.28 5.75 -1.35 0.04 115.11 127.02 3b6r h GLN 58 Ca 0.00 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3b6r h GLN 58 Cb 0.55 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 3b6r h GLN 58 CO 0.00 0.10 0.02 0.00 -2.65 0.00 0.00 178.83 176.30 3b6r h THR 59 N 0.15 1.19 0.00 2.39 1.03 -1.80 -1.55 112.91 114.32 3b6r h THR 59 Ca 0.40 -0.75 -0.07 0.00 -0.01 0.00 0.00 66.41 65.98 3b6r h THR 59 Cb 0.70 0.91 -0.01 0.00 -1.07 0.00 0.00 68.15 68.68 3b6r h THR 59 CO -0.60 0.26 -0.31 1.23 -0.01 0.00 0.00 175.52 176.09 3b6r h GLY 60 N 0.83 0.00 0.63 2.99 0.00 -0.31 -0.64 103.07 106.57 3b6r h GLY 60 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 3b6r h GLY 60 CO 0.01 0.00 -0.42 -2.08 0.00 0.00 0.00 176.54 174.05 3b6r h VAL 61 N 0.00 1.48 -0.24 4.60 2.07 -0.55 -3.33 116.25 120.28 3b6r h VAL 61 Ca -0.00 -1.98 -0.10 0.00 0.82 0.00 0.00 66.70 65.43 3b6r h VAL 61 Cb 0.84 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 3b6r h VAL 61 CO 0.04 0.56 -0.28 0.44 0.02 0.00 0.00 177.57 178.35 3b6r h ASP 62 N -0.27 0.48 -3.56 0.57 5.19 -1.22 -3.40 116.42 114.21 3b6r h ASP 62 Ca -0.05 -0.17 -0.69 0.00 -0.62 0.00 0.00 57.03 55.50 3b6r h ASP 62 Cb 1.14 -0.13 -0.35 0.00 0.18 0.00 0.00 39.33 40.18 3b6r h ASP 62 CO 0.08 0.75 -0.60 0.20 -3.12 0.00 0.00 179.24 176.56 3b6r s ASN 63 N -6.82 5.14 0.49 6.45 0.01 -0.26 -4.98 114.94 114.98 3b6r s ASN 63 Ca -0.07 -1.88 0.21 0.00 -0.71 0.00 0.00 52.86 50.41 3b6r s ASN 63 Cb 0.14 -1.79 1.26 0.00 0.41 0.00 0.00 41.25 41.27 3b6r s ASN 63 CO 0.79 -0.47 1.98 -0.65 -1.51 0.00 0.00 177.10 177.25 3b6r h PRO 64 N 8.00 0.15 0.00 -0.60 0.11 -1.78 -3.43 132.00 134.44 3b6r h PRO 64 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3b6r h PRO 64 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3b6r h PRO 64 CO 0.65 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.94 3b6r n GLY 65 N -1.59 -0.91 3.38 -0.55 0.00 -1.26 0.17 105.19 104.42 3b6r n GLY 65 Ca 0.10 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3b6r n GLY 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3b6r s HIS 66 N 0.00 -0.45 0.15 1.61 2.46 -1.08 -4.71 115.29 113.27 3b6r s HIS 66 Ca 0.00 0.84 -0.27 0.00 0.47 0.00 0.00 55.06 56.10 3b6r s HIS 66 Cb 0.00 0.23 -0.01 0.00 -0.13 0.00 0.00 32.58 32.67 3b6r s HIS 66 CO 0.00 -0.44 1.57 -1.35 -2.47 0.00 0.00 174.74 172.05 3b6r h PRO 67 N 3.89 -0.32 0.12 2.88 0.11 -1.93 -2.83 132.00 133.92 3b6r h PRO 67 Ca -0.28 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3b6r h PRO 67 Cb 1.16 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3b6r h PRO 67 CO 0.34 -0.22 -0.06 1.88 -0.21 0.00 0.00 178.00 179.74 3b6r h TYR 68 N -0.34 -0.15 -3.51 0.65 0.05 -1.97 -3.37 116.97 108.32 3b6r h TYR 68 Ca 0.13 -0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.16 3b6r h TYR 68 Cb 0.59 0.05 -0.29 0.00 1.01 0.00 0.00 36.73 38.09 3b6r h TYR 68 CO -0.62 0.09 -0.17 0.42 -1.05 0.00 0.00 178.16 176.82 3b6r s ILE 69 N -5.26 4.80 -0.20 -2.88 -1.09 -1.08 -5.04 121.20 110.43 3b6r s ILE 69 Ca -0.15 -2.25 -0.26 0.00 -2.23 0.00 0.00 60.65 55.76 3b6r s ILE 69 Cb 0.04 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.86 3b6r s ILE 69 CO 0.64 -0.91 0.90 -0.32 -1.23 0.00 0.00 174.94 174.02 3b6r s MET 70 N 0.65 4.26 0.59 2.79 -2.45 -1.12 -2.65 119.30 121.36 3b6r s MET 70 Ca 0.12 1.12 -0.05 0.00 -1.25 0.00 0.00 55.69 55.63 3b6r s MET 70 Cb -0.20 -3.61 0.01 0.00 1.25 0.00 0.00 34.83 32.29 3b6r s MET 70 CO -0.04 -0.47 0.89 0.95 1.05 0.00 0.00 175.02 177.40 3b6r s THR 71 N 2.64 3.49 0.04 10.11 -4.23 -1.25 -4.83 115.64 121.62 3b6r s THR 71 Ca 0.40 -0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 3b6r s THR 71 Cb -0.16 -3.39 -0.15 0.00 1.34 0.00 0.00 72.50 70.15 3b6r s THR 71 CO 0.09 -0.38 1.32 0.58 -0.54 0.00 0.00 174.62 175.69 3b6r h VAL 72 N -0.17 1.36 -0.16 2.29 2.07 -1.94 0.87 116.25 120.57 3b6r h VAL 72 Ca -0.45 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 65.59 3b6r h VAL 72 Cb 1.26 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 3b6r h VAL 72 CO 0.60 0.42 -0.06 0.61 0.02 0.00 0.00 177.57 179.16 3b6r n GLY 73 N 0.30 0.61 3.54 2.17 0.00 -1.26 -0.88 105.19 109.67 3b6r n GLY 73 Ca -0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 3b6r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b6r s VAL 75 N -3.20 0.15 0.07 0.00 -7.23 -0.58 -4.60 120.40 105.02 3b6r s VAL 75 Ca 0.06 -1.24 -0.08 0.00 -1.81 0.00 0.00 61.98 58.90 3b6r s VAL 75 Cb -0.01 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 3b6r s VAL 75 CO -0.07 -0.69 0.36 0.00 -0.31 0.00 0.00 175.10 174.39 3b6r s ALA 76 N -3.47 3.77 -0.90 1.32 0.00 -0.57 -4.49 121.76 117.41 3b6r s ALA 76 Ca 0.02 -0.46 0.17 0.00 0.00 0.00 0.00 51.96 51.69 3b6r s ALA 76 Cb 0.04 -2.19 -0.16 0.00 0.00 0.00 0.00 23.12 20.80 3b6r s ALA 76 CO -0.09 0.60 0.74 0.41 0.00 0.00 0.00 175.76 177.43 3b6r n GLY 77 N 0.82 -0.50 3.78 0.00 0.00 -1.26 -4.71 105.19 103.33 3b6r n GLY 77 Ca -0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 3b6r n GLY 77 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3b6r s ASP 78 N -2.50 -0.11 0.36 1.61 1.47 -1.26 -0.19 116.67 116.05 3b6r s ASP 78 Ca 0.07 -0.46 0.04 0.00 1.18 0.00 0.00 52.55 53.38 3b6r s ASP 78 Cb 0.13 0.46 0.69 0.00 -0.34 0.00 0.00 42.92 43.86 3b6r s ASP 78 CO 0.65 -0.87 2.02 -0.08 0.68 0.00 0.00 175.17 177.57 3b6r h GLU 79 N 2.00 0.77 0.00 2.11 4.81 -1.96 -2.37 114.58 119.94 3b6r h GLU 79 Ca -0.26 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 3b6r h GLU 79 Cb 1.22 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3b6r h GLU 79 CO 0.29 0.51 -0.11 0.93 -0.73 0.00 0.00 179.01 179.90 3b6r h GLU 80 N 0.79 0.00 -0.97 1.92 3.07 -1.98 -3.22 114.58 114.19 3b6r h GLU 80 Ca 0.23 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.26 3b6r h GLU 80 Cb -0.05 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.75 3b6r h GLU 80 CO -0.05 0.11 0.57 0.77 -1.40 0.00 0.00 179.01 179.01 3b6r h SER 81 N 0.00 0.74 0.54 1.42 0.02 -1.82 0.00 113.55 114.45 3b6r h SER 81 Ca -0.00 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3b6r h SER 81 Cb 0.54 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3b6r h SER 81 CO 0.01 0.29 -0.21 1.88 -1.14 0.00 0.00 176.83 177.66 3b6r h TYR 82 N 0.76 0.00 0.00 3.45 0.05 -1.75 -1.54 116.97 117.94 3b6r h TYR 82 Ca 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.31 3b6r h TYR 82 Cb 0.80 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 3b6r h TYR 82 CO -0.03 0.21 -0.30 1.49 -1.05 0.00 0.00 178.16 178.48 3b6r h GLU 83 N 0.00 0.00 -0.94 4.88 4.57 -1.29 -3.03 114.58 118.77 3b6r h GLU 83 Ca -0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 3b6r h GLU 83 Cb 0.54 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.03 3b6r h GLU 83 CO 0.03 0.06 0.55 0.28 -1.18 0.00 0.00 179.01 178.76 3b6r h VAL 84 N -1.00 0.80 -0.66 0.32 2.07 -1.12 -2.09 116.25 114.57 3b6r h VAL 84 Ca -0.01 -0.27 -0.43 0.00 0.82 0.00 0.00 66.70 66.80 3b6r h VAL 84 Cb 0.33 -0.07 -0.26 0.00 -1.52 0.00 0.00 31.29 29.77 3b6r h VAL 84 CO -0.01 0.15 -0.06 0.49 0.02 0.00 0.00 177.57 178.16 3b6r n PHE 85 N -4.75 2.21 0.17 1.57 3.72 -0.58 -4.74 117.46 115.06 3b6r n PHE 85 Ca 0.19 -2.15 0.07 0.00 -0.05 0.00 0.00 57.45 55.51 3b6r n PHE 85 Cb 0.44 -0.69 0.56 0.00 -0.94 0.00 0.00 39.48 38.85 3b6r n PHE 85 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3b6r h LYS 86 N 1.60 0.18 0.00 -1.08 2.10 -1.24 -0.71 116.57 117.42 3b6r h LYS 86 Ca 0.38 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 3b6r h LYS 86 Cb 1.49 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 3b6r h LYS 86 CO 0.82 0.13 0.00 -0.44 -2.00 0.00 0.00 179.45 177.96 3b6r h ASP 87 N 0.18 0.00 0.00 7.07 3.32 -1.85 0.31 116.42 125.46 3b6r h ASP 87 Ca 0.05 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3b6r h ASP 87 Cb -0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3b6r h ASP 87 CO -0.01 0.00 -1.13 -0.11 -1.72 0.00 0.00 179.24 176.27 3b6r n LEU 88 N -2.32 1.90 -0.30 1.55 7.94 -0.34 -4.54 117.00 120.89 3b6r n LEU 88 Ca 0.00 0.42 -0.00 0.00 -1.11 0.00 0.00 56.01 55.32 3b6r n LEU 88 Cb 0.13 -0.81 0.13 0.00 0.53 0.00 0.00 43.42 43.40 3b6r n LEU 88 CO 0.15 -0.15 1.19 -0.26 -1.11 0.00 0.00 177.39 177.21 3b6r h PHE 89 N -1.00 0.97 -0.25 1.96 0.04 -1.22 -3.07 116.94 114.37 3b6r h PHE 89 Ca -0.14 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.72 3b6r h PHE 89 Cb 0.99 -0.31 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 3b6r h PHE 89 CO -0.28 0.51 -0.14 -0.44 -0.60 0.00 0.00 178.31 177.37 3b6r h ASP 90 N 0.97 -0.46 -0.75 2.17 3.32 -0.63 0.57 116.42 121.62 3b6r h ASP 90 Ca 0.35 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.46 3b6r h ASP 90 Cb 0.12 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3b6r h ASP 90 CO -0.15 -0.18 0.28 -0.65 -1.72 0.00 0.00 179.24 176.82 3b6r h PRO 91 N -0.12 1.15 -0.28 3.56 0.11 -1.77 0.93 132.00 135.58 3b6r h PRO 91 Ca 0.13 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 3b6r h PRO 91 Cb 0.32 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3b6r h PRO 91 CO -0.32 0.94 0.02 0.82 -0.21 0.00 0.00 178.00 179.26 3b6r h ILE 92 N 1.11 1.24 -0.36 4.15 2.04 -1.32 -1.27 117.51 123.12 3b6r h ILE 92 Ca 0.25 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3b6r h ILE 92 Cb 0.24 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3b6r h ILE 92 CO -0.02 0.27 0.19 0.40 0.00 0.00 0.00 178.15 179.00 3b6r h ILE 93 N 0.27 1.15 -0.58 -0.67 2.04 0.44 -0.02 117.51 120.14 3b6r h ILE 93 Ca 0.08 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3b6r h ILE 93 Cb 0.38 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3b6r h ILE 93 CO 0.01 0.15 0.38 -0.08 0.00 0.00 0.00 178.15 178.61 3b6r h GLU 94 N 0.45 0.74 -0.07 2.37 4.81 -0.72 -0.83 114.58 121.33 3b6r h GLU 94 Ca 0.13 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3b6r h GLU 94 Cb 0.07 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3b6r h GLU 94 CO -0.02 0.49 -0.02 0.22 -0.73 0.00 0.00 179.01 178.95 3b6r h ASP 95 N 0.76 0.14 -0.30 1.04 1.82 -1.02 0.42 116.42 119.28 3b6r h ASP 95 Ca 0.22 -0.38 -0.09 0.00 -0.39 0.00 0.00 57.03 56.39 3b6r h ASP 95 Cb -0.06 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 3b6r h ASP 95 CO -0.06 0.49 -0.11 -0.09 -1.61 0.00 0.00 179.24 177.85 3b6r h ARG 96 N -0.21 0.72 -1.01 0.28 9.65 -0.91 -3.07 114.38 119.83 3b6r h ARG 96 Ca 0.02 -0.24 -0.54 0.00 -1.10 0.00 0.00 59.98 58.13 3b6r h ARG 96 Cb 0.43 -0.06 -0.29 0.00 -1.39 0.00 0.00 29.97 28.66 3b6r h ARG 96 CO 0.01 0.81 0.69 0.72 2.80 0.00 0.00 179.97 185.00 3b6r n HIS 97 N -4.17 2.99 -3.87 2.20 8.25 -0.32 -4.95 115.22 115.34 3b6r n HIS 97 Ca 0.01 -2.09 -0.30 0.00 -0.26 0.00 0.00 57.72 55.08 3b6r n HIS 97 Cb 0.36 -1.05 0.01 0.00 1.12 0.00 0.00 29.99 30.43 3b6r n HIS 97 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b6r n GLY 98 N -1.01 -0.57 0.00 -1.41 0.00 -1.15 -3.51 105.19 97.54 3b6r n GLY 98 Ca 0.58 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3b6r n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b6r n GLY 99 N -1.90 0.79 3.60 -0.02 0.00 0.14 -5.04 105.19 102.76 3b6r n GLY 99 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3b6r n GLY 99 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3b6r s TYR 100 N -2.00 1.60 0.57 1.61 5.04 -1.22 -4.96 117.35 117.99 3b6r s TYR 100 Ca 0.00 0.62 -0.15 0.00 -2.44 0.00 0.00 57.07 55.10 3b6r s TYR 100 Cb 0.00 -4.06 -0.05 0.00 0.35 0.00 0.00 41.96 38.20 3b6r s TYR 100 CO 0.00 -3.27 1.03 0.15 -1.34 0.00 0.00 175.55 172.12 3b6r s LYS 101 N 5.94 3.56 0.61 4.97 -0.14 -1.26 -3.59 119.74 129.82 3b6r s LYS 101 Ca 0.86 1.06 0.34 0.00 -1.36 0.00 0.00 55.97 56.86 3b6r s LYS 101 Cb -0.25 -2.07 1.98 0.00 -1.68 0.00 0.00 37.83 35.81 3b6r s LYS 101 CO 0.34 -0.60 2.28 -1.35 -0.76 0.00 0.00 175.35 175.25 3b6r h PRO 102 N 0.48 0.00 -0.01 -1.68 0.11 -1.92 -1.42 132.00 127.56 3b6r h PRO 102 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3b6r h PRO 102 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3b6r h PRO 102 CO 0.59 0.00 -0.59 -1.13 -0.21 0.00 0.00 178.00 176.66 3b6r n SER 103 N -3.63 1.31 -4.71 -2.05 3.41 -1.26 -4.97 113.62 101.72 3b6r n SER 103 Ca -0.03 -1.06 -0.31 0.00 -0.26 0.00 0.00 58.87 57.22 3b6r n SER 103 Cb 0.10 0.53 0.14 0.00 -0.26 0.00 0.00 64.21 64.71 3b6r n SER 103 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3b6r s ASP 104 N -2.71 3.52 0.08 4.04 1.01 -0.54 -5.05 116.67 117.03 3b6r s ASP 104 Ca 0.16 1.87 0.08 0.00 0.71 0.00 0.00 52.55 55.36 3b6r s ASP 104 Cb 0.18 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3b6r s ASP 104 CO 0.67 -2.67 -0.19 -0.70 0.21 0.00 0.00 175.17 172.49 3b6r s GLU 105 N -4.79 1.89 -0.16 8.23 2.12 -1.26 -4.63 118.70 120.10 3b6r s GLU 105 Ca 0.64 -1.10 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 3b6r s GLU 105 Cb -0.20 -2.13 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 3b6r s GLU 105 CO 0.57 0.51 -0.05 -1.58 -0.54 0.00 0.00 175.26 174.17 3b6r s HIS 106 N -1.02 2.97 -0.19 5.30 5.65 0.49 -4.79 115.29 123.69 3b6r s HIS 106 Ca 0.16 -0.44 -0.09 0.00 0.25 0.00 0.00 55.06 54.93 3b6r s HIS 106 Cb -0.10 -1.96 -0.05 0.00 -1.18 0.00 0.00 32.58 29.29 3b6r s HIS 106 CO 0.07 -0.14 0.11 0.15 -0.65 0.00 0.00 174.74 174.29 3b6r s LYS 107 N 0.52 4.13 -0.15 2.88 -0.14 -1.26 -4.76 119.74 120.95 3b6r s LYS 107 Ca -0.04 -0.25 -0.07 0.00 -1.36 0.00 0.00 55.97 54.25 3b6r s LYS 107 Cb -0.15 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 3b6r s LYS 107 CO 0.03 0.30 0.08 0.99 -0.76 0.00 0.00 175.35 175.99 3b6r s THR 108 N 0.35 4.97 -0.28 2.17 2.01 -1.26 -3.74 115.64 119.85 3b6r s THR 108 Ca 0.07 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 3b6r s THR 108 Cb -0.11 -3.20 0.10 0.00 0.01 0.00 0.00 72.50 69.30 3b6r s THR 108 CO -0.01 0.52 0.14 -0.62 -0.69 0.00 0.00 174.62 173.96 3b6r s ASP 109 N -0.21 3.32 -0.48 3.53 -1.08 -1.26 -4.96 116.67 115.53 3b6r s ASP 109 Ca 0.08 -1.21 0.03 0.00 -0.52 0.00 0.00 52.55 50.93 3b6r s ASP 109 Cb -0.12 -0.27 0.49 0.00 -1.46 0.00 0.00 42.92 41.56 3b6r s ASP 109 CO 0.01 -0.43 1.71 0.18 0.52 0.00 0.00 175.17 177.16 3b6r n LEU 110 N 5.26 6.26 -4.22 -1.34 4.77 -1.26 -3.25 117.00 123.23 3b6r n LEU 110 Ca -0.06 -4.23 -0.38 0.00 -0.03 0.00 0.00 56.01 51.31 3b6r n LEU 110 Cb 0.43 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 3b6r n LEU 110 CO 0.04 1.54 -0.17 0.21 -1.33 0.00 0.00 177.39 177.68 3b6r s ASN 111 N -2.33 5.39 0.54 -1.43 2.47 -1.26 -4.84 114.94 113.47 3b6r s ASN 111 Ca 0.57 -1.58 0.24 0.00 0.42 0.00 0.00 52.86 52.51 3b6r s ASN 111 Cb 0.46 -1.89 1.41 0.00 -1.45 0.00 0.00 41.25 39.78 3b6r s ASN 111 CO 0.02 -0.48 2.03 -0.65 -3.72 0.00 0.00 177.10 174.30 3b6r h PRO 112 N 8.23 0.00 0.00 0.43 0.11 -1.90 -1.97 132.00 136.90 3b6r h PRO 112 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3b6r h PRO 112 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3b6r h PRO 112 CO 0.69 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.04 3b6r h ASP 113 N 0.00 0.00 1.17 -2.05 3.32 -1.99 -1.31 116.42 115.56 3b6r h ASP 113 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3b6r h ASP 113 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3b6r h ASP 113 CO -0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3b6r n ASN 114 N -2.81 0.30 -4.73 6.45 5.03 -0.74 -4.74 115.26 114.02 3b6r n ASN 114 Ca -0.00 0.53 -0.41 0.00 0.87 0.00 0.00 54.58 55.57 3b6r n ASN 114 Cb 0.21 -0.61 -0.04 0.00 -1.02 0.00 0.00 39.78 38.32 3b6r n ASN 114 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3b6r s LEU 115 N -3.57 4.48 -0.28 3.41 2.96 -0.50 -5.02 118.68 120.17 3b6r s LEU 115 Ca 0.13 1.89 -0.09 0.00 -0.22 0.00 0.00 54.13 55.83 3b6r s LEU 115 Cb 0.16 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 3b6r s LEU 115 CO 0.55 -0.15 0.14 -1.10 -1.32 0.00 0.00 176.35 174.47 3b6r s GLN 116 N 0.00 3.62 3.73 1.98 -1.52 -1.26 -4.97 119.66 121.23 3b6r s GLN 116 Ca 0.49 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.37 3b6r s GLN 116 Cb -0.25 -3.52 0.00 0.00 -0.22 0.00 0.00 33.01 29.02 3b6r s GLN 116 CO 0.31 -0.28 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 3b6r n GLY 117 N 4.99 0.65 1.79 3.09 0.00 -1.26 -4.92 105.19 109.53 3b6r n GLY 117 Ca -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3b6r n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b6r n GLY 118 N 0.00 0.78 0.96 -0.02 0.00 -1.26 -4.67 105.19 100.98 3b6r n GLY 118 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3b6r n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3b6r n ASP 119 N 0.00 3.05 -2.06 1.61 5.75 -1.26 -0.75 116.55 122.89 3b6r n ASP 119 Ca 0.00 -1.93 -0.01 0.00 -0.01 0.00 0.00 54.79 52.84 3b6r n ASP 119 Cb 0.00 -0.11 0.05 0.00 -1.03 0.00 0.00 41.12 40.03 3b6r n ASP 119 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3b6r n ASP 120 N 1.28 1.86 -4.68 -1.12 5.68 -1.25 -4.46 116.55 113.86 3b6r n ASP 120 Ca 0.15 -2.45 -0.42 0.00 -0.50 0.00 0.00 54.79 51.57 3b6r n ASP 120 Cb 0.55 -0.41 -0.03 0.00 -1.14 0.00 0.00 41.12 40.10 3b6r n ASP 120 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3b6r n LEU 121 N -0.31 4.14 -4.14 -2.12 4.32 -0.68 -4.73 117.00 113.48 3b6r n LEU 121 Ca 0.13 0.95 -0.49 0.00 -0.02 0.00 0.00 56.01 56.57 3b6r n LEU 121 Cb 0.93 -1.54 -0.13 0.00 -1.62 0.00 0.00 43.42 41.06 3b6r n LEU 121 CO 0.07 0.21 1.84 -0.67 -1.22 0.00 0.00 177.39 177.62 3b6r n ASP 122 N 6.51 0.53 0.15 -1.43 -0.08 -1.26 -3.96 116.55 117.00 3b6r n ASP 122 Ca 0.19 0.45 0.10 0.00 -1.51 0.00 0.00 54.79 54.02 3b6r n ASP 122 Cb 0.39 -0.86 0.54 0.00 2.34 0.00 0.00 41.12 43.52 3b6r n ASP 122 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3b6r n PRO 123 N 7.52 0.13 0.12 -0.67 -0.04 -1.26 -1.01 135.00 139.79 3b6r n PRO 123 Ca 0.57 0.62 0.12 0.00 -0.04 0.00 0.00 63.50 64.76 3b6r n PRO 123 Cb -0.01 -1.92 0.48 0.00 -0.04 0.00 0.00 33.50 32.01 3b6r n PRO 123 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3b6r n ASN 124 N -2.19 0.67 0.00 3.54 3.02 -1.26 -3.96 115.26 115.07 3b6r n ASN 124 Ca -0.01 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 3b6r n ASN 124 Cb 0.04 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 3b6r n ASN 124 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3b6r n TYR 125 N -2.22 0.00 -2.87 3.10 4.01 -0.18 -4.88 117.16 114.13 3b6r n TYR 125 Ca 0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.34 3b6r n TYR 125 Cb 0.26 0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.25 3b6r n TYR 125 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3b6r s VAL 126 N -1.94 4.60 -0.09 -0.72 1.01 -0.59 -0.42 120.40 122.25 3b6r s VAL 126 Ca 0.00 0.89 0.14 0.00 0.00 0.00 0.00 61.98 63.01 3b6r s VAL 126 Cb 0.00 -4.33 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 3b6r s VAL 126 CO 0.00 -0.62 1.10 -0.07 0.00 0.00 0.00 175.10 175.52 3b6r h LEU 127 N 10.14 0.00 -7.00 3.92 3.38 -0.90 -3.34 115.31 121.51 3b6r h LEU 127 Ca -0.24 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3b6r h LEU 127 Cb 1.08 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 3b6r h LEU 127 CO 0.97 0.66 0.42 -0.94 0.09 0.00 0.00 178.44 179.64 3b6r s SER 128 N -6.20 -0.45 0.05 -0.43 1.04 -1.19 -0.99 113.70 105.53 3b6r s SER 128 Ca 0.00 0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.72 3b6r s SER 128 Cb 0.08 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 3b6r s SER 128 CO 0.79 -0.58 -0.13 -0.44 0.98 0.00 0.00 173.24 173.86 3b6r s SER 129 N -1.89 1.54 0.05 7.02 0.01 -0.20 -1.63 113.70 118.60 3b6r s SER 129 Ca -0.00 -0.51 -0.27 0.00 1.31 0.00 0.00 55.95 56.48 3b6r s SER 129 Cb -0.01 -0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.22 3b6r s SER 129 CO -0.03 -0.03 0.62 0.00 0.41 0.00 0.00 173.24 174.21 3b6r s ARG 130 N -1.38 1.14 -0.03 12.44 1.70 -0.39 -1.86 118.95 130.58 3b6r s ARG 130 Ca -0.01 -0.10 0.01 0.00 -0.47 0.00 0.00 55.73 55.16 3b6r s ARG 130 Cb -0.09 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.85 3b6r s ARG 130 CO 0.01 -0.43 -0.01 0.08 -1.08 0.00 0.00 175.30 173.87 3b6r s VAL 131 N -2.37 0.28 0.08 4.99 1.01 -0.05 -0.38 120.40 123.95 3b6r s VAL 131 Ca -0.05 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3b6r s VAL 131 Cb -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3b6r s VAL 131 CO -0.01 0.16 -0.06 0.00 0.00 0.00 0.00 175.10 175.19 3b6r s ARG 132 N 0.87 0.72 0.36 2.72 1.04 -0.37 -0.82 118.95 123.46 3b6r s ARG 132 Ca -0.09 -1.15 -0.08 0.00 -1.04 0.00 0.00 55.73 53.36 3b6r s ARG 132 Cb -0.13 -0.17 0.03 0.00 -2.04 0.00 0.00 34.95 32.64 3b6r s ARG 132 CO -0.01 -0.01 0.63 -2.37 -0.04 0.00 0.00 175.30 173.49 3b6r n THR 133 N 0.41 0.00 -4.13 4.99 5.66 -0.09 -1.08 114.28 120.04 3b6r n THR 133 Ca -0.15 -1.29 -0.14 0.00 -3.05 0.00 0.00 64.05 59.41 3b6r n THR 133 Cb 0.59 0.99 -0.11 0.00 -1.55 0.00 0.00 70.33 70.25 3b6r n THR 133 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3b6r s GLY 134 N -3.03 0.72 0.04 1.09 0.00 -1.25 -0.53 107.32 104.35 3b6r s GLY 134 Ca 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3b6r s GLY 134 CO 0.15 -1.09 -0.04 0.50 0.00 0.00 0.00 173.10 172.63 3b6r s ARG 135 N -2.33 0.45 0.02 2.90 1.81 -0.15 -4.90 118.95 116.75 3b6r s ARG 135 Ca -0.00 -0.84 0.07 0.00 -1.72 0.00 0.00 55.73 53.24 3b6r s ARG 135 Cb -0.05 0.08 -0.02 0.00 -0.45 0.00 0.00 34.95 34.50 3b6r s ARG 135 CO -0.00 -0.05 -0.21 -1.12 -0.68 0.00 0.00 175.30 173.24 3b6r s SER 136 N -1.97 2.46 -0.29 0.23 0.01 -1.25 -1.92 113.70 110.96 3b6r s SER 136 Ca -0.07 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.57 3b6r s SER 136 Cb -0.04 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 3b6r s SER 136 CO -0.04 0.20 0.43 -0.63 0.41 0.00 0.00 173.24 173.62 3b6r s ILE 137 N -0.66 5.12 0.30 1.44 1.01 -1.26 -0.73 121.20 126.42 3b6r s ILE 137 Ca 0.08 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 3b6r s ILE 137 Cb -0.08 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.47 3b6r s ILE 137 CO 0.01 0.04 1.47 -1.14 0.00 0.00 0.00 174.94 175.32 3b6r n ARG 138 N 5.46 2.42 0.00 2.79 0.63 0.20 -2.90 116.66 125.27 3b6r n ARG 138 Ca -0.07 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 3b6r n ARG 138 Cb 0.50 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.85 3b6r n ARG 138 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3b6r n GLY 139 N 1.61 0.90 3.39 5.14 0.00 -1.26 -4.70 105.19 110.26 3b6r n GLY 139 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3b6r n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b6r s PHE 140 N -2.12 2.31 0.69 1.61 0.08 -1.14 -5.13 117.98 114.28 3b6r s PHE 140 Ca 0.00 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 3b6r s PHE 140 Cb 0.00 -1.26 0.01 0.00 -0.57 0.00 0.00 43.02 41.20 3b6r s PHE 140 CO 0.00 0.32 1.07 0.00 -0.10 0.00 0.00 175.22 176.52 3b6r s LEU 142 N -5.35 3.03 0.39 0.00 1.02 0.73 -4.39 118.68 114.11 3b6r s LEU 142 Ca 0.61 1.45 0.25 0.00 0.02 0.00 0.00 54.13 56.46 3b6r s LEU 142 Cb -0.16 -4.31 1.40 0.00 0.02 0.00 0.00 46.19 43.13 3b6r s LEU 142 CO 0.50 -1.39 1.58 -0.65 0.02 0.00 0.00 176.35 176.41 3b6r h PRO 143 N -0.69 0.01 0.00 1.29 0.11 -1.86 0.23 132.00 131.09 3b6r h PRO 143 Ca -0.45 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3b6r h PRO 143 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3b6r h PRO 143 CO 0.59 0.01 -0.26 -1.35 -0.21 0.00 0.00 178.00 176.78 3b6r h PRO 144 N 0.01 0.00 0.00 1.05 0.11 -1.84 -3.33 132.00 128.00 3b6r h PRO 144 Ca 0.86 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.97 3b6r h PRO 144 Cb 2.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.55 3b6r h PRO 144 CO -0.66 0.26 -0.75 1.58 -0.21 0.00 0.00 178.00 178.22 3b6r n HIS 145 N -4.12 0.00 -1.75 0.65 -0.00 0.08 -4.31 115.22 105.77 3b6r n HIS 145 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.31 3b6r n HIS 145 Cb 0.32 -0.06 0.03 0.00 -0.00 0.00 0.00 29.99 30.28 3b6r n HIS 145 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3b6r s SER 147 N -0.70 5.63 0.40 0.00 1.04 -1.26 -4.87 113.70 113.94 3b6r s SER 147 Ca 0.66 0.65 0.11 0.00 0.48 0.00 0.00 55.95 57.86 3b6r s SER 147 Cb -0.44 -1.68 0.92 0.00 0.10 0.00 0.00 66.02 64.92 3b6r s SER 147 CO 0.53 -1.01 1.95 0.03 0.98 0.00 0.00 173.24 175.72 3b6r h ARG 148 N -0.09 0.53 -0.06 4.02 3.08 -1.99 -0.54 114.38 119.34 3b6r h ARG 148 Ca -0.45 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 3b6r h ARG 148 Cb 1.26 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 3b6r h ARG 148 CO 0.60 0.35 0.01 0.78 -1.07 0.00 0.00 179.97 180.64 3b6r h GLY 149 N 0.55 0.10 0.98 0.04 0.00 -1.99 -1.15 103.07 101.60 3b6r h GLY 149 Ca 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 3b6r h GLY 149 CO -0.11 0.06 0.10 0.83 0.00 0.00 0.00 176.54 177.43 3b6r h GLU 150 N -0.14 0.23 -0.45 4.80 5.08 -1.72 -0.81 114.58 121.57 3b6r h GLU 150 Ca 0.02 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3b6r h GLU 150 Cb 0.26 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3b6r h GLU 150 CO 0.00 0.18 0.15 -0.09 -1.00 0.00 0.00 179.01 178.25 3b6r h ARG 151 N 0.21 0.31 -0.35 2.33 2.43 -1.09 0.95 114.38 119.16 3b6r h ARG 151 Ca 0.06 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3b6r h ARG 151 Cb 0.01 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3b6r h ARG 151 CO -0.01 0.20 -0.01 0.00 -1.51 0.00 0.00 179.97 178.64 3b6r h ARG 152 N 0.32 0.56 -0.38 0.20 3.08 -0.97 -0.26 114.38 116.92 3b6r h ARG 152 Ca 0.21 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3b6r h ARG 152 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3b6r h ARG 152 CO -0.22 0.59 -0.28 0.00 -1.07 0.00 0.00 179.97 178.99 3b6r h ALA 153 N 1.46 0.79 -0.37 0.04 0.00 0.05 -1.55 119.26 119.67 3b6r h ALA 153 Ca 0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3b6r h ALA 153 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3b6r h ALA 153 CO 0.01 0.65 0.03 0.82 0.00 0.00 0.00 179.25 180.77 3b6r h ILE 154 N 0.69 1.25 -0.63 0.00 2.04 -0.32 -1.87 117.51 118.67 3b6r h ILE 154 Ca 0.08 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3b6r h ILE 154 Cb 0.81 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3b6r h ILE 154 CO 0.07 0.31 0.40 -0.08 0.00 0.00 0.00 178.15 178.85 3b6r h GLU 155 N 0.47 0.78 -0.32 2.37 4.81 -0.87 0.05 114.58 121.87 3b6r h GLU 155 Ca 0.11 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3b6r h GLU 155 Cb 0.41 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3b6r h GLU 155 CO 0.01 0.52 0.19 -0.22 -0.73 0.00 0.00 179.01 178.78 3b6r h LYS 156 N 0.80 0.43 -0.60 1.92 3.64 -1.10 0.08 116.57 121.75 3b6r h LYS 156 Ca 0.25 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3b6r h LYS 156 Cb -0.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3b6r h LYS 156 CO -0.08 0.32 0.38 -0.07 -2.27 0.00 0.00 179.45 177.73 3b6r h LEU 157 N 0.41 0.65 0.08 5.20 4.07 -0.97 -1.75 115.31 122.99 3b6r h LEU 157 Ca 0.11 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3b6r h LEU 157 Cb -0.00 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.59 3b6r h LEU 157 CO -0.02 0.46 -0.04 0.00 -1.08 0.00 0.00 178.44 177.77 3b6r h ALA 158 N 1.23 -0.10 -0.61 1.53 0.00 -0.65 -2.85 119.26 117.81 3b6r h ALA 158 Ca 0.23 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3b6r h ALA 158 Cb -0.05 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3b6r h ALA 158 CO -0.07 -0.46 0.36 0.28 0.00 0.00 0.00 179.25 179.37 3b6r h VAL 159 N -0.31 1.04 0.10 0.00 2.07 -0.88 0.12 116.25 118.39 3b6r h VAL 159 Ca -0.01 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.29 3b6r h VAL 159 Cb 0.27 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3b6r h VAL 159 CO 0.02 0.13 -0.35 -0.33 0.02 0.00 0.00 177.57 177.06 3b6r h GLU 160 N 0.70 -0.54 0.22 1.57 5.08 -1.29 -0.17 114.58 120.14 3b6r h GLU 160 Ca 0.25 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3b6r h GLU 160 Cb 0.07 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3b6r h GLU 160 CO -0.13 -0.36 -0.16 0.00 -1.00 0.00 0.00 179.01 177.36 3b6r h ALA 161 N 0.05 -0.36 -0.63 3.43 0.00 -1.27 -2.76 119.26 117.72 3b6r h ALA 161 Ca 0.03 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3b6r h ALA 161 Cb 0.60 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3b6r h ALA 161 CO -0.22 -0.72 0.41 -0.07 0.00 0.00 0.00 179.25 178.66 3b6r h LEU 162 N -0.38 0.55 -0.01 0.00 3.38 -0.82 0.23 115.31 118.26 3b6r h LEU 162 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3b6r h LEU 162 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3b6r h LEU 162 CO 0.00 0.36 0.00 -1.54 0.09 0.00 0.00 178.44 177.36 3b6r n SER 163 N -4.47 0.02 0.11 -0.43 3.41 -0.09 -2.51 113.62 109.66 3b6r n SER 163 Ca 0.09 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3b6r n SER 163 Cb 0.22 -0.51 0.08 0.00 -0.26 0.00 0.00 64.21 63.74 3b6r n SER 163 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3b6r h SER 164 N 0.00 0.00 -3.85 4.04 0.02 -0.67 -3.46 113.55 109.62 3b6r h SER 164 Ca 0.00 -0.06 -0.52 0.00 -0.84 0.00 0.00 61.79 60.37 3b6r h SER 164 Cb 0.39 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.98 3b6r h SER 164 CO 0.00 0.03 0.59 -0.76 -1.14 0.00 0.00 176.83 175.55 3b6r s LEU 165 N -5.15 4.47 0.00 5.07 1.43 -1.04 -5.02 118.68 118.43 3b6r s LEU 165 Ca 0.03 2.55 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 3b6r s LEU 165 Cb 0.10 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 3b6r s LEU 165 CO 0.75 -0.41 0.12 -0.90 0.23 0.00 0.00 176.35 176.14 3b6r n ASP 166 N 0.93 -0.16 0.00 2.29 5.68 -1.26 -4.07 116.55 119.96 3b6r n ASP 166 Ca -0.00 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 3b6r n ASP 166 Cb 0.43 0.71 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 3b6r n ASP 166 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3b6r n GLY 167 N -0.14 3.82 0.24 6.12 0.00 -1.26 -1.78 105.19 112.18 3b6r n GLY 167 Ca 0.03 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3b6r n GLY 167 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3b6r h ASP 168 N 0.00 0.00 -0.65 1.61 3.58 -2.05 -2.73 116.42 116.18 3b6r h ASP 168 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3b6r h ASP 168 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3b6r h ASP 168 CO 0.00 0.11 0.00 0.18 -2.88 0.00 0.00 179.24 176.65 3b6r n LEU 169 N -4.28 3.82 -4.76 2.28 4.32 -0.73 -4.72 117.00 112.93 3b6r n LEU 169 Ca -0.03 -1.90 -0.41 0.00 -0.02 0.00 0.00 56.01 53.65 3b6r n LEU 169 Cb 0.19 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.54 3b6r n LEU 169 CO 0.34 0.93 1.11 0.00 -1.22 0.00 0.00 177.39 178.56 3b6r s ALA 170 N -1.09 3.61 0.00 -1.18 0.00 -1.03 -4.40 121.76 117.66 3b6r s ALA 170 Ca 0.46 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.84 3b6r s ALA 170 Cb 0.24 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3b6r s ALA 170 CO 0.32 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3b6r n GLY 171 N 1.49 3.04 3.20 0.00 0.00 -1.26 -0.51 105.19 111.15 3b6r n GLY 171 Ca 0.04 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 3b6r n GLY 171 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3b6r s ARG 172 N 1.22 0.75 -0.06 1.61 1.70 -0.99 -4.90 118.95 118.27 3b6r s ARG 172 Ca 0.00 -0.71 -0.04 0.00 -0.47 0.00 0.00 55.73 54.51 3b6r s ARG 172 Cb 0.00 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 3b6r s ARG 172 CO 0.00 -0.23 0.12 -0.47 -1.08 0.00 0.00 175.30 173.64 3b6r s TYR 173 N -2.95 3.46 -0.25 5.89 5.04 -1.26 -2.77 117.35 124.51 3b6r s TYR 173 Ca -0.02 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 3b6r s TYR 173 Cb 0.01 -1.85 0.07 0.00 0.35 0.00 0.00 41.96 40.54 3b6r s TYR 173 CO -0.06 0.64 -0.02 0.71 -1.34 0.00 0.00 175.55 175.48 3b6r s TYR 174 N -1.13 2.28 0.28 4.97 1.51 0.21 -4.98 117.35 120.49 3b6r s TYR 174 Ca 0.20 -1.75 -0.29 0.00 -1.01 0.00 0.00 57.07 54.21 3b6r s TYR 174 Cb -0.12 -1.63 -0.09 0.00 -0.11 0.00 0.00 41.96 40.00 3b6r s TYR 174 CO 0.10 -0.78 1.10 0.00 -1.11 0.00 0.00 175.55 174.86 3b6r s ALA 175 N 1.43 3.41 0.17 3.71 0.00 -1.26 -0.25 121.76 128.97 3b6r s ALA 175 Ca -0.03 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 3b6r s ALA 175 Cb -0.19 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.65 3b6r s ALA 175 CO -0.08 -0.17 1.62 -0.07 0.00 0.00 0.00 175.76 177.05 3b6r h LEU 176 N 3.88 1.01 -0.47 0.00 4.07 -1.68 -2.65 115.31 119.47 3b6r h LEU 176 Ca -0.47 -0.32 0.09 0.00 0.08 0.00 0.00 57.88 57.27 3b6r h LEU 176 Cb 1.21 -0.27 -0.09 0.00 1.08 0.00 0.00 40.66 42.59 3b6r h LEU 176 CO 0.67 1.09 -0.11 0.50 -1.08 0.00 0.00 178.44 179.51 3b6r h LYS 177 N 0.92 0.01 -0.37 1.13 1.63 -1.79 -2.41 116.57 115.68 3b6r h LYS 177 Ca 0.16 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3b6r h LYS 177 Cb 0.59 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3b6r h LYS 177 CO 0.03 0.00 0.00 -1.13 -3.45 0.00 0.00 179.45 174.91 3b6r n SER 178 N -5.34 2.71 -4.70 4.20 3.41 -1.21 -4.97 113.62 107.71 3b6r n SER 178 Ca 0.04 -1.91 -0.42 0.00 -0.26 0.00 0.00 58.87 56.32 3b6r n SER 178 Cb 0.25 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3b6r n SER 178 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3b6r s MET 179 N -1.52 4.16 0.71 4.33 0.00 -0.91 -5.00 119.30 121.07 3b6r s MET 179 Ca 0.36 2.52 -0.10 0.00 0.00 0.00 0.00 55.69 58.47 3b6r s MET 179 Cb 0.20 -3.39 0.04 0.00 0.00 0.00 0.00 34.83 31.67 3b6r s MET 179 CO 0.28 -0.77 1.07 0.95 0.00 0.00 0.00 175.02 176.56 3b6r s THR 180 N 2.07 2.98 0.19 10.11 -4.23 -1.26 -4.88 115.64 120.63 3b6r s THR 180 Ca 0.76 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 61.34 3b6r s THR 180 Cb -0.46 -3.29 0.11 0.00 1.34 0.00 0.00 72.50 70.20 3b6r s THR 180 CO 0.34 -0.36 1.86 -0.08 -0.54 0.00 0.00 174.62 175.84 3b6r h GLU 181 N -0.67 0.84 -0.49 3.99 4.57 -1.99 -0.77 114.58 120.07 3b6r h GLU 181 Ca -0.45 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3b6r h GLU 181 Cb 1.28 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 3b6r h GLU 181 CO 0.63 0.56 0.26 0.00 -1.18 0.00 0.00 179.01 179.28 3b6r h ALA 182 N 1.23 0.63 -0.15 2.92 0.00 -1.99 -0.32 119.26 121.58 3b6r h ALA 182 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3b6r h ALA 182 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3b6r h ALA 182 CO -0.05 0.16 0.05 0.93 0.00 0.00 0.00 179.25 180.34 3b6r h GLU 183 N 0.65 0.23 -0.67 0.00 5.08 -1.87 -1.80 114.58 116.20 3b6r h GLU 183 Ca 0.17 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 3b6r h GLU 183 Cb 0.07 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.19 3b6r h GLU 183 CO -0.03 0.36 0.18 0.37 -1.00 0.00 0.00 179.01 178.90 3b6r h GLN 184 N 0.06 0.30 -0.36 2.33 4.15 -0.91 -0.15 115.11 120.54 3b6r h GLN 184 Ca 0.05 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 3b6r h GLN 184 Cb 0.22 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3b6r h GLN 184 CO -0.00 0.20 -0.05 0.37 -1.93 0.00 0.00 178.83 177.42 3b6r h GLN 185 N 0.31 0.67 -0.31 1.69 5.75 -0.84 -0.93 115.11 121.45 3b6r h GLN 185 Ca 0.36 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3b6r h GLN 185 Cb 0.55 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 3b6r h GLN 185 CO -0.42 0.81 0.20 0.37 -2.65 0.00 0.00 178.83 177.13 3b6r h GLN 186 N 0.47 0.39 -0.59 1.69 5.75 -0.66 0.28 115.11 122.43 3b6r h GLN 186 Ca 0.10 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3b6r h GLN 186 Cb 0.54 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 3b6r h GLN 186 CO 0.03 0.26 0.28 -0.07 -2.65 0.00 0.00 178.83 176.68 3b6r h LEU 187 N 0.40 0.75 -0.39 -2.39 4.07 -0.95 -0.51 115.31 116.29 3b6r h LEU 187 Ca 0.12 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.93 3b6r h LEU 187 Cb -0.03 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 3b6r h LEU 187 CO -0.04 0.64 -0.04 0.40 -1.08 0.00 0.00 178.44 178.32 3b6r h ILE 188 N 0.83 1.27 0.00 1.22 2.04 -0.45 0.20 117.51 122.61 3b6r h ILE 188 Ca 0.21 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3b6r h ILE 188 Cb 0.09 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3b6r h ILE 188 CO -0.03 0.36 -0.28 0.44 0.00 0.00 0.00 178.15 178.64 3b6r h ASP 189 N 0.54 0.00 0.28 1.72 3.32 -0.53 -2.25 116.42 119.49 3b6r h ASP 189 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3b6r h ASP 189 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3b6r h ASP 189 CO 0.03 0.28 -0.19 0.47 -1.72 0.00 0.00 179.24 178.11 3b6r n ASP 190 N -4.00 0.82 -1.39 6.45 8.00 -0.24 -4.92 116.55 121.28 3b6r n ASP 190 Ca -0.02 -0.78 -0.13 0.00 0.71 0.00 0.00 54.79 54.57 3b6r n ASP 190 Cb 0.35 0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3b6r n ASP 190 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3b6r n HIS 191 N -0.75 -0.47 0.78 1.24 8.25 -0.45 -4.89 115.22 118.92 3b6r n HIS 191 Ca 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.68 3b6r n HIS 191 Cb 0.32 -2.77 -0.02 0.00 1.12 0.00 0.00 29.99 28.64 3b6r n HIS 191 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3b6r n PHE 192 N -3.67 0.00 -3.40 4.41 3.72 0.57 -5.01 117.46 114.09 3b6r n PHE 192 Ca -0.15 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.89 3b6r n PHE 192 Cb 0.57 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.06 3b6r n PHE 192 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3b6r s LEU 193 N -2.26 4.36 -0.00 4.37 2.96 -1.12 -4.97 118.68 122.01 3b6r s LEU 193 Ca 0.13 1.03 0.04 0.00 -0.22 0.00 0.00 54.13 55.11 3b6r s LEU 193 Cb 0.14 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 3b6r s LEU 193 CO 0.49 0.14 -0.13 0.72 -1.32 0.00 0.00 176.35 176.26 3b6r s PHE 194 N -1.40 1.13 0.40 5.38 -0.12 -1.26 -4.98 117.98 117.14 3b6r s PHE 194 Ca 0.35 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 57.01 3b6r s PHE 194 Cb -0.15 -0.72 0.01 0.00 -0.63 0.00 0.00 43.02 41.53 3b6r s PHE 194 CO 0.19 -0.01 0.11 -0.25 -0.05 0.00 0.00 175.22 175.21 3b6r n ASP 195 N 2.64 2.81 -4.73 1.98 9.92 -1.26 -5.07 116.55 122.84 3b6r n ASP 195 Ca -0.15 -2.62 -0.42 0.00 -0.53 0.00 0.00 54.79 51.08 3b6r n ASP 195 Cb 0.56 0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 41.17 3b6r n ASP 195 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3b6r s LYS 196 N -3.53 4.14 0.48 -1.24 2.20 -1.26 -4.89 119.74 115.64 3b6r s LYS 196 Ca 0.09 2.55 -0.23 0.00 -0.36 0.00 0.00 55.97 58.02 3b6r s LYS 196 Cb -0.01 -3.07 -0.08 0.00 -1.51 0.00 0.00 37.83 33.17 3b6r s LYS 196 CO 0.06 -0.68 1.16 -2.30 -0.36 0.00 0.00 175.35 173.23 3b6r n PRO 197 N 3.25 1.54 -0.00 4.03 -0.02 -1.26 -4.90 135.00 137.63 3b6r n PRO 197 Ca 0.12 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 62.22 3b6r n PRO 197 Cb 0.37 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 3b6r n PRO 197 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3b6r n VAL 198 N -0.72 0.00 -2.35 -1.45 0.24 -1.26 -4.89 118.33 107.90 3b6r n VAL 198 Ca 0.09 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.34 61.75 3b6r n VAL 198 Cb 0.42 0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 33.66 3b6r n VAL 198 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3b6r s SER 199 N -2.34 6.93 0.57 -1.34 0.15 -1.26 -4.90 113.70 111.50 3b6r s SER 199 Ca 0.03 1.87 0.30 0.00 0.70 0.00 0.00 55.95 58.86 3b6r s SER 199 Cb 0.09 -2.55 1.73 0.00 -1.71 0.00 0.00 66.02 63.58 3b6r s SER 199 CO 0.51 -0.72 2.19 -0.65 1.20 0.00 0.00 173.24 175.77 3b6r h PRO 200 N 8.06 0.00 -0.83 5.44 0.11 -1.98 -1.06 132.00 141.75 3b6r h PRO 200 Ca -0.32 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 3b6r h PRO 200 Cb 1.14 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3b6r h PRO 200 CO 0.93 0.05 0.37 -0.07 -0.21 0.00 0.00 178.00 179.07 3b6r h LEU 201 N 0.00 1.11 0.07 2.35 4.07 -1.92 -0.05 115.31 120.95 3b6r h LEU 201 Ca -0.00 -0.15 -0.13 0.00 0.08 0.00 0.00 57.88 57.68 3b6r h LEU 201 Cb 0.15 -0.29 0.01 0.00 1.08 0.00 0.00 40.66 41.62 3b6r h LEU 201 CO 0.01 0.95 -0.56 -0.07 -1.08 0.00 0.00 178.44 177.69 3b6r h LEU 202 N 1.19 0.37 -0.75 1.67 3.38 -1.70 -3.33 115.31 116.14 3b6r h LEU 202 Ca 0.28 -0.90 0.02 0.00 0.09 0.00 0.00 57.88 57.37 3b6r h LEU 202 Cb 0.16 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3b6r h LEU 202 CO -0.03 1.24 0.49 -0.07 0.09 0.00 0.00 178.44 180.15 3b6r h LEU 203 N -0.45 0.82 -1.16 1.67 3.38 -1.13 -2.37 115.31 116.07 3b6r h LEU 203 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3b6r h LEU 203 Cb 1.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3b6r h LEU 203 CO 0.11 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.22 3b6r h ALA 204 N 1.29 1.00 0.00 1.53 0.00 -1.14 -2.29 119.26 119.66 3b6r h ALA 204 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3b6r h ALA 204 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3b6r h ALA 204 CO -0.08 0.00 -0.26 0.66 0.00 0.00 0.00 179.25 179.57 3b6r h SER 205 N 0.00 0.00 0.00 0.00 4.64 -1.53 -3.37 113.55 113.29 3b6r h SER 205 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3b6r h SER 205 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3b6r h SER 205 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3b6r n GLY 206 N 1.18 0.69 0.18 -0.77 0.00 -0.86 -4.69 105.19 100.92 3b6r n GLY 206 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3b6r n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b6r h MET 207 N 4.15 0.00 -0.30 1.61 -0.00 -1.72 -3.00 114.93 115.67 3b6r h MET 207 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3b6r h MET 207 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3b6r h MET 207 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 3b6r n ALA 208 N -1.86 2.47 -1.62 -3.00 0.00 -1.26 -4.81 120.51 110.43 3b6r n ALA 208 Ca 0.01 -0.67 -0.38 0.00 0.00 0.00 0.00 53.44 52.39 3b6r n ALA 208 Cb 0.19 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.67 3b6r n ALA 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b6r n ARG 209 N 0.64 1.03 -1.50 0.00 1.74 -1.14 -2.83 116.66 114.60 3b6r n ARG 209 Ca 0.16 0.39 -0.16 0.00 -0.77 0.00 0.00 57.85 57.47 3b6r n ARG 209 Cb 0.38 -2.18 -0.07 0.00 -1.02 0.00 0.00 32.46 29.57 3b6r n ARG 209 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3b6r n ASP 210 N -0.57 -4.30 -4.71 0.55 9.92 -1.26 -4.85 116.55 111.34 3b6r n ASP 210 Ca 0.13 0.39 -0.43 0.00 -0.53 0.00 0.00 54.79 54.35 3b6r n ASP 210 Cb 0.46 -3.90 -0.01 0.00 -0.64 0.00 0.00 41.12 37.03 3b6r n ASP 210 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 3b6r n TRP 211 N -2.12 2.42 -1.08 1.24 -0.00 -1.13 -0.20 117.44 116.56 3b6r n TRP 211 Ca -0.16 0.45 -0.09 0.00 -0.00 0.00 0.00 57.50 57.70 3b6r n TRP 211 Cb 0.54 -2.47 0.29 0.00 -0.00 0.00 0.00 31.31 29.66 3b6r n TRP 211 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3b6r n PRO 212 N 1.31 3.48 -1.65 5.87 -0.04 -1.26 -5.12 135.00 137.59 3b6r n PRO 212 Ca 0.07 -3.09 -0.52 0.00 -0.04 0.00 0.00 63.50 59.92 3b6r n PRO 212 Cb 0.35 -2.21 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 3b6r n PRO 212 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3b6r n ASP 213 N -0.33 2.30 -0.97 3.54 -0.08 0.73 -1.61 116.55 120.14 3b6r n ASP 213 Ca 0.44 1.08 -0.13 0.00 -1.51 0.00 0.00 54.79 54.67 3b6r n ASP 213 Cb 1.43 -1.23 -0.05 0.00 2.34 0.00 0.00 41.12 43.60 3b6r n ASP 213 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3b6r n ALA 214 N 3.98 -0.19 -2.88 -1.67 0.00 -1.26 -4.95 120.51 113.54 3b6r n ALA 214 Ca 0.21 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.52 3b6r n ALA 214 Cb 0.20 -1.66 -0.05 0.00 0.00 0.00 0.00 19.45 17.94 3b6r n ALA 214 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3b6r s ARG 215 N -2.98 3.47 0.11 0.00 3.00 -0.63 -4.61 118.95 117.31 3b6r s ARG 215 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 55.73 55.21 3b6r s ARG 215 Cb 0.00 -3.10 0.07 0.00 0.00 0.00 0.00 34.95 31.93 3b6r s ARG 215 CO 0.00 0.67 0.88 0.20 0.00 0.00 0.00 175.30 177.05 3b6r s GLY 216 N -1.86 -0.34 -0.07 -3.53 0.00 -1.06 -1.99 107.32 98.48 3b6r s GLY 216 Ca 0.27 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.47 3b6r s GLY 216 CO 0.18 0.13 -0.20 -0.42 0.00 0.00 0.00 173.10 172.78 3b6r s ILE 217 N -3.33 1.73 -0.02 0.90 1.01 0.66 -1.19 121.20 120.95 3b6r s ILE 217 Ca 0.08 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.92 3b6r s ILE 217 Cb -0.02 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 40.95 3b6r s ILE 217 CO -0.03 0.49 -0.14 0.86 0.00 0.00 0.00 174.94 176.12 3b6r s TRP 218 N 0.23 1.33 -0.03 3.97 -0.00 -0.14 0.65 118.94 124.94 3b6r s TRP 218 Ca -0.11 -0.32 -0.16 0.00 -0.00 0.00 0.00 56.10 55.51 3b6r s TRP 218 Cb -0.15 -0.89 0.03 0.00 -0.00 0.00 0.00 33.47 32.45 3b6r s TRP 218 CO 0.05 -0.09 0.34 -3.38 -0.00 0.00 0.00 176.95 173.87 3b6r s HIS 219 N -0.09 -0.23 0.74 5.86 -3.43 -1.11 0.19 115.29 117.21 3b6r s HIS 219 Ca 0.00 0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 54.55 3b6r s HIS 219 Cb -0.08 0.12 0.03 0.00 -1.43 0.00 0.00 32.58 31.22 3b6r s HIS 219 CO 0.01 -0.38 1.07 0.54 -2.00 0.00 0.00 174.74 173.97 3b6r s ASN 220 N -1.17 4.98 0.46 7.38 4.22 -0.58 -2.35 114.94 127.88 3b6r s ASN 220 Ca -0.12 1.58 0.12 0.00 -2.14 0.00 0.00 52.86 52.29 3b6r s ASN 220 Cb -0.05 -2.39 1.05 0.00 1.28 0.00 0.00 41.25 41.14 3b6r s ASN 220 CO 0.04 -1.70 2.08 0.44 -2.04 0.00 0.00 177.10 175.93 3b6r h ASP 221 N -0.89 0.27 0.84 3.54 3.32 -1.10 -0.57 116.42 121.83 3b6r h ASP 221 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3b6r h ASP 221 Cb 1.23 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3b6r h ASP 221 CO 0.56 0.19 0.00 0.59 -1.72 0.00 0.00 179.24 178.87 3b6r n ASN 222 N -4.49 0.06 -3.25 6.45 5.03 -1.26 -4.92 115.26 112.88 3b6r n ASN 222 Ca 0.02 0.51 -0.21 0.00 0.87 0.00 0.00 54.58 55.77 3b6r n ASN 222 Cb 0.12 -0.53 0.07 0.00 -1.02 0.00 0.00 39.78 38.43 3b6r n ASN 222 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3b6r n LYS 223 N -1.56 -7.02 -0.00 3.52 5.02 -0.22 -4.90 118.16 113.00 3b6r n LYS 223 Ca 0.06 0.74 0.02 0.00 -2.02 0.00 0.00 58.31 57.10 3b6r n LYS 223 Cb 0.28 -5.51 -0.02 0.00 -0.02 0.00 0.00 35.03 29.76 3b6r n LYS 223 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3b6r n THR 224 N -4.66 0.00 -4.27 -0.18 -2.24 -1.26 -4.84 114.28 96.83 3b6r n THR 224 Ca -0.01 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.13 3b6r n THR 224 Cb 0.56 0.96 -0.17 0.00 -2.10 0.00 0.00 70.33 69.59 3b6r n THR 224 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3b6r s PHE 225 N -1.36 1.21 -0.01 4.78 5.36 -1.26 -0.54 117.98 126.16 3b6r s PHE 225 Ca 0.01 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.54 3b6r s PHE 225 Cb 0.02 -0.97 -0.00 0.00 -0.34 0.00 0.00 43.02 41.73 3b6r s PHE 225 CO 0.13 -0.31 -0.08 -1.17 -1.46 0.00 0.00 175.22 172.34 3b6r s LEU 226 N 1.04 1.95 -0.05 6.12 2.96 0.12 -1.52 118.68 129.30 3b6r s LEU 226 Ca -0.08 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3b6r s LEU 226 Cb -0.14 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.13 3b6r s LEU 226 CO -0.00 0.09 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.34 3b6r s VAL 227 N -0.08 0.78 -0.17 1.68 1.01 0.13 0.13 120.40 123.88 3b6r s VAL 227 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3b6r s VAL 227 Cb -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3b6r s VAL 227 CO -0.00 0.27 0.00 0.26 0.00 0.00 0.00 175.10 175.63 3b6r s TRP 228 N 0.68 3.10 -0.20 5.22 0.51 0.26 -0.97 118.94 127.54 3b6r s TRP 228 Ca -0.11 -0.20 -0.06 0.00 -2.12 0.00 0.00 56.10 53.61 3b6r s TRP 228 Cb -0.14 -2.02 -0.03 0.00 -0.81 0.00 0.00 33.47 30.47 3b6r s TRP 228 CO 0.02 -0.01 0.03 0.08 -0.51 0.00 0.00 176.95 176.55 3b6r s VAL 229 N 0.48 4.24 -1.53 4.03 1.01 -0.33 -1.14 120.40 127.16 3b6r s VAL 229 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3b6r s VAL 229 Cb -0.14 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3b6r s VAL 229 CO 0.02 0.42 0.42 0.59 0.00 0.00 0.00 175.10 176.55 3b6r n ASN 230 N 4.15 -5.82 0.00 3.32 3.02 0.12 -2.55 115.26 117.51 3b6r n ASN 230 Ca -0.17 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3b6r n ASN 230 Cb 0.52 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 3b6r n ASN 230 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3b6r n GLU 231 N -3.58 0.00 0.20 3.52 2.13 -1.26 -4.83 120.64 116.81 3b6r n GLU 231 Ca -0.14 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.72 3b6r n GLU 231 Cb 0.63 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.74 3b6r n GLU 231 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3b6r h GLU 232 N 0.00 0.00 -4.56 5.31 5.08 -1.95 -3.45 114.58 115.01 3b6r h GLU 232 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3b6r h GLU 232 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 3b6r h GLU 232 CO 0.00 0.33 -0.53 -0.51 -1.00 0.00 0.00 179.01 177.30 3b6r s ASP 233 N -6.82 0.47 0.19 1.42 1.01 -1.26 -4.66 116.67 107.02 3b6r s ASP 233 Ca -0.03 -1.43 -0.13 0.00 0.71 0.00 0.00 52.55 51.68 3b6r s ASP 233 Cb 0.14 0.45 0.21 0.00 1.01 0.00 0.00 42.92 44.73 3b6r s ASP 233 CO 0.71 -0.93 1.69 0.45 0.21 0.00 0.00 175.17 177.30 3b6r h HIS 234 N 2.47 0.04 -3.88 4.23 3.86 -1.87 -3.21 115.15 116.79 3b6r h HIS 234 Ca -0.33 0.04 -0.29 0.00 -1.16 0.00 0.00 60.37 58.63 3b6r h HIS 234 Cb 1.25 0.06 -0.27 0.00 1.06 0.00 0.00 27.41 29.51 3b6r h HIS 234 CO 0.68 -0.08 -0.74 -0.51 0.86 0.00 0.00 177.93 178.13 3b6r s LEU 235 N -10.55 2.05 -0.11 2.43 1.43 -0.81 -0.70 118.68 112.42 3b6r s LEU 235 Ca -0.13 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3b6r s LEU 235 Cb 0.16 -0.18 0.02 0.00 0.03 0.00 0.00 46.19 46.22 3b6r s LEU 235 CO 0.73 -0.00 -0.13 -0.13 0.23 0.00 0.00 176.35 177.04 3b6r s ARG 236 N -0.35 2.04 -0.16 1.70 0.52 -0.29 -0.98 118.95 121.43 3b6r s ARG 236 Ca -0.01 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.72 3b6r s ARG 236 Cb -0.03 -1.81 -0.00 0.00 0.52 0.00 0.00 34.95 33.63 3b6r s ARG 236 CO -0.00 -0.12 -0.15 0.08 0.02 0.00 0.00 175.30 175.13 3b6r s VAL 237 N 1.17 2.68 -0.07 3.52 1.01 0.31 -0.57 120.40 128.45 3b6r s VAL 237 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3b6r s VAL 237 Cb -0.14 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3b6r s VAL 237 CO -0.04 0.51 -0.12 -0.63 0.00 0.00 0.00 175.10 174.82 3b6r s ILE 238 N 0.92 1.14 -0.10 2.22 1.09 0.12 -0.91 121.20 125.68 3b6r s ILE 238 Ca -0.03 -0.48 0.02 0.00 -1.10 0.00 0.00 60.65 59.06 3b6r s ILE 238 Cb -0.15 -1.04 -0.01 0.00 -1.06 0.00 0.00 42.46 40.20 3b6r s ILE 238 CO -0.02 0.36 -0.16 -0.55 -0.10 0.00 0.00 174.94 174.47 3b6r s SER 239 N 0.68 3.78 0.32 3.58 0.15 0.00 0.16 113.70 122.36 3b6r s SER 239 Ca -0.14 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 3b6r s SER 239 Cb -0.16 -1.34 0.02 0.00 -1.71 0.00 0.00 66.02 62.83 3b6r s SER 239 CO 0.04 0.21 0.63 0.00 1.20 0.00 0.00 173.24 175.32 3b6r s MET 240 N 0.08 1.91 0.00 5.44 0.23 0.30 -0.87 119.30 126.38 3b6r s MET 240 Ca -0.07 -1.37 0.00 0.00 -1.03 0.00 0.00 55.69 53.22 3b6r s MET 240 Cb -0.15 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.70 3b6r s MET 240 CO 0.05 -0.85 0.00 0.00 -2.03 0.00 0.00 175.02 172.19 3b6r n GLN 241 N -0.49 0.00 -1.19 3.16 10.64 -0.77 -4.44 117.38 124.28 3b6r n GLN 241 Ca -0.04 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.82 3b6r n GLN 241 Cb 0.61 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 30.09 3b6r n GLN 241 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3b6r s LYS 242 N -2.00 2.08 0.41 2.61 1.02 -1.26 -1.04 119.74 121.56 3b6r s LYS 242 Ca 0.00 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.24 3b6r s LYS 242 Cb 0.00 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 3b6r s LYS 242 CO 0.00 -1.79 0.00 0.41 -0.92 0.00 0.00 175.35 173.05 3b6r n GLY 243 N -0.91 -2.37 1.97 -3.33 0.00 -0.16 -4.63 105.19 95.75 3b6r n GLY 243 Ca 0.10 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 3b6r n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b6r n GLY 244 N -0.34 6.09 3.00 -0.02 0.00 -1.25 -2.81 105.19 109.86 3b6r n GLY 244 Ca 0.00 -2.40 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 3b6r n GLY 244 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3b6r n ASN 245 N -0.82 5.29 -0.19 1.61 2.85 -1.26 -1.69 115.26 121.06 3b6r n ASN 245 Ca 0.47 -3.12 0.01 0.00 -0.11 0.00 0.00 54.58 51.83 3b6r n ASN 245 Cb 0.89 -1.47 0.27 0.00 1.24 0.00 0.00 39.78 40.72 3b6r n ASN 245 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 3b6r h MET 246 N 5.97 0.92 -0.65 1.20 1.85 -1.23 -2.10 114.93 120.88 3b6r h MET 246 Ca 0.35 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.39 3b6r h MET 246 Cb 0.68 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.47 3b6r h MET 246 CO 1.51 0.61 0.42 -0.22 -0.40 0.00 0.00 176.91 178.82 3b6r h LYS 247 N 0.94 0.87 -0.40 0.39 3.64 -1.31 0.20 116.57 120.91 3b6r h LYS 247 Ca 0.26 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3b6r h LYS 247 Cb -0.08 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 3b6r h LYS 247 CO -0.06 0.59 0.13 1.49 -2.27 0.00 0.00 179.45 179.33 3b6r h GLU 248 N 0.89 0.61 -0.83 1.90 4.81 -1.69 0.71 114.58 120.98 3b6r h GLU 248 Ca 0.24 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3b6r h GLU 248 Cb -0.08 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 3b6r h GLU 248 CO -0.05 0.61 0.48 0.28 -0.73 0.00 0.00 179.01 179.61 3b6r h VAL 249 N 0.49 1.24 -0.05 0.32 2.07 -0.89 -1.50 116.25 117.92 3b6r h VAL 249 Ca 0.13 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 3b6r h VAL 249 Cb 0.25 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3b6r h VAL 249 CO -0.00 0.25 -0.57 0.15 0.02 0.00 0.00 177.57 177.42 3b6r h PHE 250 N 1.14 0.21 -0.31 1.57 3.57 -0.39 -1.85 116.94 120.87 3b6r h PHE 250 Ca 0.29 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 3b6r h PHE 250 Cb -0.02 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3b6r h PHE 250 CO -0.00 0.70 -0.17 1.15 -2.23 0.00 0.00 178.31 177.75 3b6r h THR 251 N 0.13 1.29 -0.43 4.41 2.02 -0.35 -0.06 112.91 119.91 3b6r h THR 251 Ca -0.00 -1.29 -0.08 0.00 0.77 0.00 0.00 66.41 65.81 3b6r h THR 251 Cb 1.04 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 3b6r h THR 251 CO 0.08 0.42 -0.06 -0.09 0.37 0.00 0.00 175.52 176.24 3b6r h ARG 252 N 0.43 0.74 0.37 6.66 2.43 -1.24 0.09 114.38 123.88 3b6r h ARG 252 Ca 0.07 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3b6r h ARG 252 Cb 0.71 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3b6r h ARG 252 CO 0.05 0.80 -0.19 0.35 -1.51 0.00 0.00 179.97 179.46 3b6r h PHE 253 N 0.68 -0.50 -0.46 2.20 3.57 -1.10 0.19 116.94 121.52 3b6r h PHE 253 Ca 0.13 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3b6r h PHE 253 Cb 0.51 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3b6r h PHE 253 CO 0.03 -0.31 0.20 0.00 -2.23 0.00 0.00 178.31 176.00 3b6r h THR 255 N 0.59 1.16 -0.42 0.00 2.02 -0.84 -1.15 112.91 114.27 3b6r h THR 255 Ca 0.15 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.87 3b6r h THR 255 Cb 0.15 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3b6r h THR 255 CO -0.02 0.17 0.26 1.23 0.37 0.00 0.00 175.52 177.53 3b6r h GLY 256 N 0.32 0.59 0.98 2.16 0.00 -0.51 -0.89 103.07 105.71 3b6r h GLY 256 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3b6r h GLY 256 CO -0.01 0.18 0.25 1.41 0.00 0.00 0.00 176.54 178.37 3b6r h LEU 257 N 0.53 0.67 -0.11 3.11 3.38 -1.16 -1.83 115.31 119.89 3b6r h LEU 257 Ca 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3b6r h LEU 257 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3b6r h LEU 257 CO -0.06 0.62 0.07 0.74 0.09 0.00 0.00 178.44 179.90 3b6r h THR 258 N 0.69 1.04 -0.55 0.22 2.02 -0.95 -0.71 112.91 114.67 3b6r h THR 258 Ca 0.18 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 3b6r h THR 258 Cb 0.12 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3b6r h THR 258 CO -0.02 0.04 0.32 1.56 0.37 0.00 0.00 175.52 177.78 3b6r h GLN 259 N 0.14 0.76 -0.41 6.66 4.20 -1.05 0.08 115.11 125.48 3b6r h GLN 259 Ca 0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3b6r h GLN 259 Cb 0.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3b6r h GLN 259 CO -0.01 0.57 0.23 0.82 -0.67 0.00 0.00 178.83 179.78 3b6r h ILE 260 N 0.74 1.15 -0.50 2.54 2.04 -1.19 -0.74 117.51 121.55 3b6r h ILE 260 Ca 0.20 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3b6r h ILE 260 Cb 0.02 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3b6r h ILE 260 CO -0.03 0.15 0.33 -0.08 0.00 0.00 0.00 178.15 178.52 3b6r h GLU 261 N 0.54 0.66 -0.88 2.37 4.81 -0.78 -0.72 114.58 120.58 3b6r h GLU 261 Ca 0.15 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3b6r h GLU 261 Cb 0.04 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 3b6r h GLU 261 CO -0.02 0.44 0.58 1.15 -0.73 0.00 0.00 179.01 180.42 3b6r h THR 262 N 0.68 1.17 -0.65 0.32 2.02 -0.63 0.80 112.91 116.63 3b6r h THR 262 Ca 0.18 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3b6r h THR 262 Cb -0.08 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.24 3b6r h THR 262 CO -0.04 0.21 0.34 -0.07 0.37 0.00 0.00 175.52 176.33 3b6r h LEU 263 N 1.14 0.82 -0.47 2.58 -0.00 -0.37 -2.26 115.31 116.75 3b6r h LEU 263 Ca 0.34 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 58.07 3b6r h LEU 263 Cb -0.04 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 3b6r h LEU 263 CO -0.10 0.69 0.10 -0.26 -0.00 0.00 0.00 178.44 178.87 3b6r h PHE 264 N 0.88 0.81 -0.57 1.13 0.04 -0.20 -2.97 116.94 116.06 3b6r h PHE 264 Ca 0.23 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.91 3b6r h PHE 264 Cb 0.06 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 3b6r h PHE 264 CO -0.00 0.74 0.38 0.87 -0.60 0.00 0.00 178.31 179.69 3b6r h LYS 265 N 0.64 0.72 0.00 1.51 1.57 -0.41 0.85 116.57 121.44 3b6r h LYS 265 Ca 0.15 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3b6r h LYS 265 Cb 0.34 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3b6r h LYS 265 CO 0.00 0.47 -0.06 0.66 -0.57 0.00 0.00 179.45 179.96 3b6r h SER 266 N 0.74 0.00 -0.51 0.86 4.64 -1.24 0.10 113.55 118.14 3b6r h SER 266 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3b6r h SER 266 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3b6r h SER 266 CO -0.05 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3b6r n LYS 267 N -3.80 3.88 -2.12 4.77 5.02 -0.36 -4.94 118.16 120.62 3b6r n LYS 267 Ca -0.02 -2.91 -0.12 0.00 -2.02 0.00 0.00 58.31 53.23 3b6r n LYS 267 Cb 0.15 -1.96 -0.01 0.00 -0.02 0.00 0.00 35.03 33.19 3b6r n LYS 267 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3b6r n ASP 268 N 0.51 -3.98 -4.57 4.39 8.00 0.35 -5.04 116.55 116.21 3b6r n ASP 268 Ca 0.24 0.03 -0.26 0.00 0.71 0.00 0.00 54.79 55.51 3b6r n ASP 268 Cb 0.96 -3.11 -0.09 0.00 -0.02 0.00 0.00 41.12 38.87 3b6r n ASP 268 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3b6r s TYR 269 N -2.59 2.63 0.16 1.24 2.02 0.15 -4.96 117.35 115.99 3b6r s TYR 269 Ca 0.00 -0.23 -0.11 0.00 -0.37 0.00 0.00 57.07 56.36 3b6r s TYR 269 Cb 0.00 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 3b6r s TYR 269 CO 0.00 0.53 0.33 -1.83 -1.57 0.00 0.00 175.55 173.01 3b6r s GLU 270 N -2.95 1.14 0.44 -0.62 -1.05 -1.26 -2.23 118.70 112.18 3b6r s GLU 270 Ca 0.26 -1.04 -0.21 0.00 -0.15 0.00 0.00 54.97 53.83 3b6r s GLU 270 Cb -0.08 0.41 -0.10 0.00 -0.44 0.00 0.00 34.13 33.91 3b6r s GLU 270 CO 0.16 -0.43 0.98 -0.06 0.95 0.00 0.00 175.26 176.85 3b6r s PHE 271 N -3.92 3.22 -0.03 4.83 0.08 -1.26 -0.63 117.98 120.27 3b6r s PHE 271 Ca 0.12 1.60 -0.30 0.00 0.12 0.00 0.00 56.93 58.48 3b6r s PHE 271 Cb 0.03 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 3b6r s PHE 271 CO -0.03 -0.33 1.25 -1.64 -0.10 0.00 0.00 175.22 174.37 3b6r s MET 272 N -3.16 4.34 -0.09 0.44 -1.94 0.09 -4.61 119.30 114.37 3b6r s MET 272 Ca 0.63 1.75 -0.30 0.00 -1.71 0.00 0.00 55.69 56.06 3b6r s MET 272 Cb -0.12 -3.55 0.08 0.00 2.01 0.00 0.00 34.83 33.25 3b6r s MET 272 CO 0.15 -0.47 0.73 -0.46 -0.01 0.00 0.00 175.02 174.97 3b6r s TRP 273 N 2.20 -0.62 0.07 -0.03 -0.00 -1.26 -1.89 118.94 117.41 3b6r s TRP 273 Ca 0.58 1.12 -0.21 0.00 -0.00 0.00 0.00 56.10 57.59 3b6r s TRP 273 Cb -0.27 0.40 0.05 0.00 -0.00 0.00 0.00 33.47 33.66 3b6r s TRP 273 CO 0.23 -0.55 0.50 0.54 -0.00 0.00 0.00 176.95 177.68 3b6r s ASN 274 N -1.04 -0.41 0.64 5.86 6.03 -0.93 -4.98 114.94 120.11 3b6r s ASN 274 Ca -0.09 0.06 0.29 0.00 -1.03 0.00 0.00 52.86 52.09 3b6r s ASN 274 Cb -0.01 0.49 1.56 0.00 -3.03 0.00 0.00 41.25 40.27 3b6r s ASN 274 CO 0.08 -0.76 1.90 -0.65 -2.03 0.00 0.00 177.10 175.64 3b6r h PRO 275 N 2.65 0.00 0.02 3.55 0.11 -1.88 -0.99 132.00 135.46 3b6r h PRO 275 Ca -0.32 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.40 3b6r h PRO 275 Cb 1.23 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3b6r h PRO 275 CO 0.42 0.00 -2.30 1.58 -0.21 0.00 0.00 178.00 177.49 3b6r n HIS 276 N -3.16 0.33 0.54 0.65 -0.00 -1.26 -0.38 115.22 111.93 3b6r n HIS 276 Ca 0.01 0.09 0.09 0.00 -0.00 0.00 0.00 57.72 57.91 3b6r n HIS 276 Cb 0.47 -1.04 0.12 0.00 -0.00 0.00 0.00 29.99 29.54 3b6r n HIS 276 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3b6r n LEU 277 N -3.65 2.79 0.00 0.27 4.77 -1.19 -4.04 117.00 115.95 3b6r n LEU 277 Ca -0.44 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 3b6r n LEU 277 Cb 0.95 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3b6r n LEU 277 CO 0.23 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3b6r n GLY 278 N 1.09 2.37 3.71 -0.72 0.00 -0.38 -0.09 105.19 111.17 3b6r n GLY 278 Ca 0.13 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3b6r n GLY 278 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b6r s TYR 279 N 0.00 3.51 0.00 1.61 2.02 -0.38 -2.19 117.35 121.93 3b6r s TYR 279 Ca 0.00 1.44 -0.29 0.00 -0.37 0.00 0.00 57.07 57.86 3b6r s TYR 279 Cb 0.00 -3.31 -0.03 0.00 -0.40 0.00 0.00 41.96 38.21 3b6r s TYR 279 CO 0.00 -0.82 0.92 0.42 -1.57 0.00 0.00 175.55 174.50 3b6r s ILE 280 N 1.10 4.86 0.20 2.71 -1.09 -0.79 -3.41 121.20 124.77 3b6r s ILE 280 Ca 0.56 1.94 -0.00 0.00 -2.23 0.00 0.00 60.65 60.92 3b6r s ILE 280 Cb -0.26 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.31 3b6r s ILE 280 CO 0.28 0.20 0.09 -0.76 -1.23 0.00 0.00 174.94 173.53 3b6r s LEU 281 N 0.84 1.50 0.11 2.97 1.43 -1.26 -3.96 118.68 120.30 3b6r s LEU 281 Ca 0.49 -1.33 -0.28 0.00 -1.03 0.00 0.00 54.13 51.98 3b6r s LEU 281 Cb -0.21 0.23 -0.08 0.00 0.03 0.00 0.00 46.19 46.16 3b6r s LEU 281 CO 0.26 -0.76 1.62 0.74 0.23 0.00 0.00 176.35 178.44 3b6r h THR 282 N 2.62 0.34 -3.31 5.49 2.02 -1.86 -3.42 112.91 114.79 3b6r h THR 282 Ca -0.36 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.23 3b6r h THR 282 Cb 1.23 0.34 -0.09 0.00 -1.74 0.00 0.00 68.15 67.89 3b6r h THR 282 CO 0.57 0.00 -0.27 0.00 0.37 0.00 0.00 175.52 176.19 3b6r h PRO 284 N 6.71 0.21 0.00 0.00 0.11 -1.81 0.13 132.00 137.35 3b6r h PRO 284 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3b6r h PRO 284 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3b6r h PRO 284 CO 0.76 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.56 3b6r n SER 285 N -4.42 0.35 -1.03 -2.05 3.41 -1.26 -2.57 113.62 106.05 3b6r n SER 285 Ca 0.23 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.54 3b6r n SER 285 Cb 0.96 -0.67 0.24 0.00 -0.26 0.00 0.00 64.21 64.48 3b6r n SER 285 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3b6r n ASN 286 N -1.91 3.47 -4.71 4.04 5.03 0.04 -4.89 115.26 116.33 3b6r n ASN 286 Ca 0.02 -1.99 -0.29 0.00 0.87 0.00 0.00 54.58 53.19 3b6r n ASN 286 Cb 0.14 -0.36 0.16 0.00 -1.02 0.00 0.00 39.78 38.70 3b6r n ASN 286 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3b6r s LEU 287 N -1.02 1.72 0.00 3.41 1.43 -1.06 -2.72 118.68 120.44 3b6r s LEU 287 Ca 0.37 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 3b6r s LEU 287 Cb 0.19 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3b6r s LEU 287 CO 0.25 -2.96 0.00 0.61 0.23 0.00 0.00 176.35 174.49 3b6r n GLY 288 N -1.44 1.66 0.04 -3.19 0.00 0.87 -3.27 105.19 99.87 3b6r n GLY 288 Ca 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.77 3b6r n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3b6r n THR 289 N 0.00 0.52 -1.79 2.61 -2.24 -0.62 -1.25 114.28 111.52 3b6r n THR 289 Ca 0.00 -0.54 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 3b6r n THR 289 Cb 0.00 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 3b6r n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b6r n GLY 290 N 1.72 0.74 3.76 3.38 0.00 -1.10 -4.55 105.19 109.12 3b6r n GLY 290 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3b6r n GLY 290 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b6r s LEU 291 N -4.60 4.27 -0.24 0.99 0.20 -1.26 -3.83 118.68 114.21 3b6r s LEU 291 Ca 0.00 0.44 0.01 0.00 0.69 0.00 0.00 54.13 55.26 3b6r s LEU 291 Cb 0.00 -2.25 0.06 0.00 -0.43 0.00 0.00 46.19 43.57 3b6r s LEU 291 CO 0.00 0.18 -0.04 -0.60 -0.29 0.00 0.00 176.35 175.60 3b6r s ARG 292 N 0.14 1.52 -0.16 1.98 3.52 -0.24 -4.79 118.95 120.91 3b6r s ARG 292 Ca 0.14 -0.98 -0.04 0.00 -0.13 0.00 0.00 55.73 54.72 3b6r s ARG 292 Cb -0.12 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.68 3b6r s ARG 292 CO 0.02 -0.62 -0.02 0.00 -0.81 0.00 0.00 175.30 173.87 3b6r s ALA 293 N 1.42 3.07 0.34 6.12 0.00 -1.26 -1.24 121.76 130.20 3b6r s ALA 293 Ca -0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3b6r s ALA 293 Cb -0.19 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.34 3b6r s ALA 293 CO -0.07 0.21 0.61 0.20 0.00 0.00 0.00 175.76 176.72 3b6r s GLY 294 N 0.35 0.77 0.02 0.00 0.00 0.49 -2.43 107.32 106.52 3b6r s GLY 294 Ca -0.03 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 3b6r s GLY 294 CO 0.03 -0.60 -0.00 -1.34 0.00 0.00 0.00 173.10 171.18 3b6r s VAL 295 N -3.01 0.11 -0.37 1.40 -7.23 -0.17 -1.26 120.40 109.86 3b6r s VAL 295 Ca 0.22 -0.87 -0.15 0.00 -1.81 0.00 0.00 61.98 59.37 3b6r s VAL 295 Cb -0.03 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.63 3b6r s VAL 295 CO 0.14 -0.48 0.35 -1.00 -0.31 0.00 0.00 175.10 173.80 3b6r s HIS 296 N -1.44 3.21 -0.01 2.82 3.76 -0.65 -1.74 115.29 121.24 3b6r s HIS 296 Ca -0.16 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.56 3b6r s HIS 296 Cb -0.10 -2.68 -0.02 0.00 1.11 0.00 0.00 32.58 30.90 3b6r s HIS 296 CO -0.01 -0.52 -0.19 -1.50 -0.85 0.00 0.00 174.74 171.67 3b6r s ILE 297 N 1.93 1.52 -0.23 0.60 2.07 -0.04 -0.30 121.20 126.75 3b6r s ILE 297 Ca 0.10 -0.85 -0.25 0.00 -1.41 0.00 0.00 60.65 58.23 3b6r s ILE 297 Cb -0.17 -1.27 -0.00 0.00 0.13 0.00 0.00 42.46 41.14 3b6r s ILE 297 CO 0.12 0.41 0.86 -0.54 -1.91 0.00 0.00 174.94 173.88 3b6r s LYS 298 N -0.51 4.21 -0.38 3.50 1.02 0.44 -0.76 119.74 127.26 3b6r s LYS 298 Ca 0.07 1.02 0.12 0.00 0.02 0.00 0.00 55.97 57.20 3b6r s LYS 298 Cb -0.07 -3.64 0.36 0.00 -0.52 0.00 0.00 37.83 33.96 3b6r s LYS 298 CO -0.01 -0.52 0.85 1.28 -0.92 0.00 0.00 175.35 176.04 3b6r n LEU 299 N 5.97 0.32 -0.20 3.17 4.77 0.20 -4.84 117.00 126.39 3b6r n LEU 299 Ca 0.06 -4.54 0.08 0.00 -0.03 0.00 0.00 56.01 51.58 3b6r n LEU 299 Cb 0.47 0.68 0.36 0.00 -2.33 0.00 0.00 43.42 42.60 3b6r n LEU 299 CO 0.48 2.13 1.22 1.55 -1.33 0.00 0.00 177.39 181.44 3b6r h PRO 300 N 2.96 0.72 0.01 3.23 0.13 -1.78 0.37 132.00 137.65 3b6r h PRO 300 Ca 0.02 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3b6r h PRO 300 Cb 1.04 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3b6r h PRO 300 CO 0.42 0.48 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.76 3b6r h ASN 301 N 0.75 -0.01 -0.34 1.44 2.35 -1.91 -3.29 115.58 114.57 3b6r h ASN 301 Ca 0.34 -0.64 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 3b6r h ASN 301 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3b6r h ASN 301 CO -0.12 0.81 0.06 0.25 -1.65 0.00 0.00 177.43 176.77 3b6r h LEU 302 N -0.99 0.61 -2.02 1.61 5.85 -1.88 -2.33 115.31 116.15 3b6r h LEU 302 Ca -0.00 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3b6r h LEU 302 Cb 0.65 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3b6r h LEU 302 CO 0.00 0.64 0.08 1.23 -0.34 0.00 0.00 178.44 180.05 3b6r h GLY 303 N 0.88 0.00 -1.74 3.75 0.00 -0.38 0.15 103.07 105.74 3b6r h GLY 303 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3b6r h GLY 303 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3b6r n LYS 304 N -4.46 2.22 -2.90 4.80 4.01 -0.89 -4.94 118.16 115.99 3b6r n LYS 304 Ca -0.00 -1.83 -0.36 0.00 -0.51 0.00 0.00 58.31 55.61 3b6r n LYS 304 Cb 0.20 -1.47 -0.06 0.00 -0.51 0.00 0.00 35.03 33.19 3b6r n LYS 304 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3b6r s HIS 305 N -1.69 3.65 0.26 2.13 2.46 0.04 -4.98 115.29 117.17 3b6r s HIS 305 Ca 0.35 1.62 -0.02 0.00 0.47 0.00 0.00 55.06 57.49 3b6r s HIS 305 Cb 0.21 -2.80 0.48 0.00 -0.13 0.00 0.00 32.58 30.33 3b6r s HIS 305 CO 0.30 0.24 1.82 1.49 -2.47 0.00 0.00 174.74 176.12 3b6r h GLU 306 N 3.18 0.84 -0.68 2.88 4.81 -1.92 -2.69 114.58 121.00 3b6r h GLU 306 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3b6r h GLU 306 Cb 1.19 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3b6r h GLU 306 CO 0.65 0.56 0.00 1.63 -0.73 0.00 0.00 179.01 181.12 3b6r n LYS 307 N -4.70 3.84 0.27 1.92 5.02 -1.26 -4.58 118.16 118.68 3b6r n LYS 307 Ca 0.16 -2.36 -0.16 0.00 -2.02 0.00 0.00 58.31 53.93 3b6r n LYS 307 Cb 0.32 -2.04 -0.08 0.00 -0.02 0.00 0.00 35.03 33.21 3b6r n LYS 307 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3b6r h PHE 308 N 3.04 -0.59 -0.89 2.13 3.57 -1.71 -0.88 116.94 121.61 3b6r h PHE 308 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3b6r h PHE 308 Cb 1.56 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 40.44 3b6r h PHE 308 CO 0.80 -0.37 0.57 0.77 -2.23 0.00 0.00 178.31 177.85 3b6r h SER 309 N -0.64 0.93 -0.70 0.41 0.02 -1.84 -2.38 113.55 109.35 3b6r h SER 309 Ca -0.07 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3b6r h SER 309 Cb 0.49 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3b6r h SER 309 CO 0.11 0.62 0.15 -0.33 -1.14 0.00 0.00 176.83 176.24 3b6r h GLU 310 N 1.08 1.13 -0.52 3.45 4.39 -1.83 -1.87 114.58 120.41 3b6r h GLU 310 Ca 0.37 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 3b6r h GLU 310 Cb 0.06 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3b6r h GLU 310 CO -0.14 1.01 0.25 0.28 -1.16 0.00 0.00 179.01 179.26 3b6r h VAL 311 N 1.07 1.20 -0.41 3.13 2.07 -0.73 -1.16 116.25 121.41 3b6r h VAL 311 Ca 0.22 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3b6r h VAL 311 Cb 0.40 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3b6r h VAL 311 CO 0.01 0.22 0.25 -0.07 0.02 0.00 0.00 177.57 178.00 3b6r h LEU 312 N 0.70 0.42 -0.65 2.57 3.38 -1.26 -1.31 115.31 119.17 3b6r h LEU 312 Ca 0.18 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3b6r h LEU 312 Cb 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3b6r h LEU 312 CO -0.02 0.31 0.36 0.50 0.09 0.00 0.00 178.44 179.67 3b6r h LYS 313 N 0.52 0.64 -0.14 1.13 3.64 -0.90 0.23 116.57 121.68 3b6r h LYS 313 Ca 0.16 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3b6r h LYS 313 Cb -0.02 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3b6r h LYS 313 CO -0.06 0.42 -0.24 0.00 -2.27 0.00 0.00 179.45 177.31 3b6r h ARG 314 N 0.66 0.24 -0.05 1.90 3.08 -0.73 -1.43 114.38 118.06 3b6r h ARG 314 Ca 0.29 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3b6r h ARG 314 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3b6r h ARG 314 CO -0.19 0.48 0.00 1.28 -1.07 0.00 0.00 179.97 180.47 3b6r n LEU 315 N -4.17 0.87 -3.38 3.04 4.77 -0.54 -0.32 117.00 117.27 3b6r n LEU 315 Ca -0.01 -0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 55.42 3b6r n LEU 315 Cb 0.35 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3b6r n LEU 315 CO 0.39 0.16 0.23 0.54 -1.33 0.00 0.00 177.39 177.39 3b6r n ARG 316 N -0.27 -7.43 -4.41 3.23 1.74 -0.38 -4.91 116.66 104.23 3b6r n ARG 316 Ca 0.18 0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 57.80 3b6r n ARG 316 Cb 0.23 -5.66 -0.09 0.00 -1.02 0.00 0.00 32.46 25.91 3b6r n ARG 316 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3b6r s LEU 317 N -6.89 2.87 0.17 0.55 1.02 0.66 -1.56 118.68 115.49 3b6r s LEU 317 Ca 0.55 -0.99 0.08 0.00 0.02 0.00 0.00 54.13 53.79 3b6r s LEU 317 Cb -0.24 -1.28 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 3b6r s LEU 317 CO 0.68 -0.12 -0.17 -1.10 0.02 0.00 0.00 176.35 175.66 3b6r s GLN 318 N -3.64 1.25 0.10 1.70 -0.21 0.18 -3.98 119.66 115.07 3b6r s GLN 318 Ca 0.33 -1.43 0.03 0.00 0.02 0.00 0.00 55.36 54.31 3b6r s GLN 318 Cb -0.02 -1.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.73 3b6r s GLN 318 CO 0.18 0.24 -0.10 -1.59 -2.12 0.00 0.00 175.29 171.90 3b6r s LYS 319 N -2.98 0.86 -0.09 2.91 -2.85 -1.26 -1.44 119.74 114.88 3b6r s LYS 319 Ca 0.16 -1.20 -0.10 0.00 -1.00 0.00 0.00 55.97 53.84 3b6r s LYS 319 Cb -0.04 -0.49 0.03 0.00 -2.06 0.00 0.00 37.83 35.26 3b6r s LYS 319 CO 0.06 0.07 0.27 1.03 0.10 0.00 0.00 175.35 176.88 3b6r s ARG 320 N -3.00 0.34 0.87 1.78 0.52 -0.66 -4.97 118.95 113.83 3b6r s ARG 320 Ca 0.07 0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 55.48 3b6r s ARG 320 Cb -0.01 0.16 0.11 0.00 0.52 0.00 0.00 34.95 35.73 3b6r s ARG 320 CO -0.01 -0.05 1.15 0.20 0.02 0.00 0.00 175.30 176.61 3b6r s GLY 321 N 0.02 1.58 0.24 -3.53 0.00 -1.26 -0.69 107.32 103.67 3b6r s GLY 321 Ca -0.01 -0.54 0.10 0.00 0.00 0.00 0.00 44.72 44.27 3b6r s GLY 321 CO 0.01 -0.02 -0.19 -0.51 0.00 0.00 0.00 173.10 172.39 3b6r s THR 322 N -3.37 2.19 -0.24 0.90 -4.23 -1.23 -4.70 115.64 104.97 3b6r s THR 322 Ca 0.63 -2.26 0.11 0.00 -1.18 0.00 0.00 61.69 58.99 3b6r s THR 322 Cb -0.13 -2.16 0.45 0.00 1.34 0.00 0.00 72.50 72.00 3b6r s THR 322 CO 0.52 -0.41 1.19 0.61 -0.54 0.00 0.00 174.62 175.98 3b6r n GLY 323 N -0.36 5.10 2.06 3.99 0.00 -1.26 -4.88 105.19 109.84 3b6r n GLY 323 Ca -0.07 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 3b6r n GLY 323 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b6r n GLY 324 N -0.73 2.62 0.25 -0.02 0.00 -1.26 -5.00 105.19 101.06 3b6r n GLY 324 Ca 0.30 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 44.22 3b6r n GLY 324 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3b6r h VAL 325 N 0.44 0.42 0.68 1.61 3.04 -1.98 -2.91 116.25 117.54 3b6r h VAL 325 Ca -0.18 -0.78 -0.03 0.00 -1.01 0.00 0.00 66.70 64.70 3b6r h VAL 325 Cb 0.68 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 3b6r h VAL 325 CO 0.27 0.14 -0.48 0.44 -1.01 0.00 0.00 177.57 176.92 3b6r h ASP 326 N 0.00 -1.26 0.60 3.17 3.45 -1.99 0.05 116.42 120.44 3b6r h ASP 326 Ca -0.00 0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.50 3b6r h ASP 326 Cb 0.55 0.39 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 3b6r h ASP 326 CO 0.02 -0.71 -0.19 0.00 -1.57 0.00 0.00 179.24 176.79 3b6r h THR 327 N -1.11 0.61 -0.32 0.35 1.03 -1.87 -1.39 112.91 110.21 3b6r h THR 327 Ca -0.09 -0.85 -0.08 0.00 -0.01 0.00 0.00 66.41 65.38 3b6r h THR 327 Cb 0.92 1.55 -0.01 0.00 -1.07 0.00 0.00 68.15 69.54 3b6r h THR 327 CO 0.04 0.18 -0.11 0.00 -0.01 0.00 0.00 175.52 175.63 3b6r h ALA 328 N 1.81 0.44 -0.08 0.00 0.00 -1.25 0.95 119.26 121.14 3b6r h ALA 328 Ca -0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 3b6r h ALA 328 Cb 0.54 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3b6r h ALA 328 CO 0.02 0.31 -0.58 0.00 0.00 0.00 0.00 179.25 179.01 3b6r h ALA 329 N 0.78 0.18 0.02 0.00 0.00 -0.77 -3.32 119.26 116.16 3b6r h ALA 329 Ca 0.08 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 3b6r h ALA 329 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3b6r h ALA 329 CO 0.04 0.42 -1.13 0.28 0.00 0.00 0.00 179.25 178.86 3b6r h VAL 330 N 0.13 1.58 -1.07 0.00 2.07 -1.29 -3.48 116.25 114.18 3b6r h VAL 330 Ca -0.05 -3.28 -0.02 0.00 0.82 0.00 0.00 66.70 64.17 3b6r h VAL 330 Cb 1.23 2.82 0.01 0.00 -1.52 0.00 0.00 31.29 33.83 3b6r h VAL 330 CO 0.12 0.91 -0.03 0.61 0.02 0.00 0.00 177.57 179.20 3b6r n GLY 331 N 1.41 0.80 0.00 2.17 0.00 0.33 -4.74 105.19 105.16 3b6r n GLY 331 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3b6r n GLY 331 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b6r n GLY 332 N -0.64 -0.75 3.43 -0.02 0.00 -1.10 -4.54 105.19 101.56 3b6r n GLY 332 Ca -0.00 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3b6r n GLY 332 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b6r s VAL 333 N 0.00 3.40 0.16 1.61 1.01 -1.26 -0.63 120.40 124.69 3b6r s VAL 333 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3b6r s VAL 333 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3b6r s VAL 333 CO 0.00 0.51 -0.18 -0.36 0.00 0.00 0.00 175.10 175.08 3b6r s PHE 334 N 0.32 1.76 -0.50 5.22 0.40 0.07 -3.46 117.98 121.78 3b6r s PHE 334 Ca -0.08 -0.48 -0.15 0.00 -0.60 0.00 0.00 56.93 55.62 3b6r s PHE 334 Cb -0.15 -0.89 0.11 0.00 0.51 0.00 0.00 43.02 42.60 3b6r s PHE 334 CO 0.05 0.30 0.44 0.34 0.70 0.00 0.00 175.22 177.04 3b6r s ASP 335 N -2.62 6.10 -0.11 1.36 3.68 0.13 -0.86 116.67 124.35 3b6r s ASP 335 Ca 0.15 -1.63 -0.03 0.00 2.13 0.00 0.00 52.55 53.17 3b6r s ASP 335 Cb -0.06 -2.17 -0.03 0.00 -1.45 0.00 0.00 42.92 39.21 3b6r s ASP 335 CO 0.06 -0.75 -0.01 -0.69 0.13 0.00 0.00 175.17 173.90 3b6r s VAL 336 N 1.58 4.15 0.21 1.11 1.01 -0.71 -1.66 120.40 126.09 3b6r s VAL 336 Ca 0.04 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 3b6r s VAL 336 Cb -0.27 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3b6r s VAL 336 CO 0.04 0.56 0.44 -0.94 0.00 0.00 0.00 175.10 175.20 3b6r s SER 337 N -0.37 -0.11 0.41 3.32 1.04 -0.52 -0.99 113.70 116.47 3b6r s SER 337 Ca 0.07 -0.76 -0.26 0.00 0.48 0.00 0.00 55.95 55.48 3b6r s SER 337 Cb -0.12 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.46 3b6r s SER 337 CO 0.02 -1.05 1.29 0.54 0.98 0.00 0.00 173.24 175.03 3b6r s ASN 338 N -2.95 6.26 -0.05 7.02 4.22 -1.02 0.52 114.94 128.94 3b6r s ASN 338 Ca 0.16 2.63 0.06 0.00 -2.14 0.00 0.00 52.86 53.57 3b6r s ASN 338 Cb 0.00 -2.64 -0.24 0.00 1.28 0.00 0.00 41.25 39.66 3b6r s ASN 338 CO 0.03 -0.88 0.63 0.00 -2.04 0.00 0.00 177.10 174.84 3b6r h ALA 339 N 2.58 0.63 -2.34 3.54 0.00 -1.57 -3.43 119.26 118.67 3b6r h ALA 339 Ca -0.50 -1.39 -0.51 0.00 0.00 0.00 0.00 54.91 52.51 3b6r h ALA 339 Cb 1.25 0.50 0.09 0.00 0.00 0.00 0.00 17.79 19.62 3b6r h ALA 339 CO 0.62 1.47 0.37 -0.51 0.00 0.00 0.00 179.25 181.20 3b6r s ASP 340 N -6.44 5.48 0.00 0.00 1.01 -1.26 -4.99 116.67 110.47 3b6r s ASP 340 Ca -0.09 1.68 0.00 0.00 0.71 0.00 0.00 52.55 54.85 3b6r s ASP 340 Cb 0.08 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.50 3b6r s ASP 340 CO 0.81 -1.37 0.00 0.54 0.21 0.00 0.00 175.17 175.36 3b6r n ARG 341 N -2.82 0.00 -4.94 8.23 5.12 -1.26 -4.86 116.66 116.14 3b6r n ARG 341 Ca 0.08 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.67 3b6r n ARG 341 Cb 0.53 -0.39 -0.13 0.00 -1.16 0.00 0.00 32.46 31.30 3b6r n ARG 341 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3b6r s LEU 342 N -3.77 2.65 0.00 0.55 2.96 -1.25 -1.59 118.68 118.23 3b6r s LEU 342 Ca 0.00 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3b6r s LEU 342 Cb 0.00 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.16 3b6r s LEU 342 CO 0.00 0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.98 3b6r n GLY 343 N 2.31 0.70 3.02 7.98 0.00 -1.26 -5.01 105.19 112.93 3b6r n GLY 343 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 3b6r n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b6r s PHE 344 N -2.72 0.81 0.75 1.61 0.40 -1.26 -4.88 117.98 112.69 3b6r s PHE 344 Ca 0.00 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 3b6r s PHE 344 Cb 0.00 -0.52 0.04 0.00 0.51 0.00 0.00 43.02 43.05 3b6r s PHE 344 CO 0.00 -0.01 1.09 -1.54 0.70 0.00 0.00 175.22 175.46 3b6r s SER 345 N -0.24 4.94 0.21 1.36 1.04 -1.25 -4.71 113.70 115.06 3b6r s SER 345 Ca 0.03 1.26 -0.09 0.00 0.48 0.00 0.00 55.95 57.63 3b6r s SER 345 Cb -0.04 -2.03 0.20 0.00 0.10 0.00 0.00 66.02 64.26 3b6r s SER 345 CO -0.00 -1.68 1.85 -0.33 0.98 0.00 0.00 173.24 174.06 3b6r h GLU 346 N -0.89 0.87 -0.18 4.02 3.07 -1.80 -1.25 114.58 118.42 3b6r h GLU 346 Ca -0.46 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.37 3b6r h GLU 346 Cb 1.26 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 3b6r h GLU 346 CO 0.61 0.58 0.02 0.28 -1.40 0.00 0.00 179.01 179.10 3b6r h VAL 347 N 0.90 0.90 -0.33 3.13 2.07 -1.92 0.04 116.25 121.05 3b6r h VAL 347 Ca 0.29 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 3b6r h VAL 347 Cb 0.02 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3b6r h VAL 347 CO -0.11 0.02 0.09 -0.33 0.02 0.00 0.00 177.57 177.25 3b6r h GLU 348 N 0.09 0.47 -0.03 1.57 5.08 -1.82 0.17 114.58 120.11 3b6r h GLU 348 Ca 0.08 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3b6r h GLU 348 Cb 0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3b6r h GLU 348 CO -0.12 0.44 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.23 3b6r h LEU 349 N 0.47 0.08 -1.11 1.33 4.07 -0.65 -1.47 115.31 118.02 3b6r h LEU 349 Ca 0.11 -0.45 -0.05 0.00 0.08 0.00 0.00 57.88 57.57 3b6r h LEU 349 Cb 0.18 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 3b6r h LEU 349 CO -0.00 0.51 0.08 0.58 -1.08 0.00 0.00 178.44 178.52 3b6r h VAL 350 N -0.35 1.21 -0.81 1.22 2.07 -0.75 -2.44 116.25 116.40 3b6r h VAL 350 Ca 0.01 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3b6r h VAL 350 Cb 0.48 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3b6r h VAL 350 CO 0.01 0.29 0.43 -0.61 0.02 0.00 0.00 177.57 177.70 3b6r h GLN 351 N 0.68 1.14 -0.04 1.57 5.75 -0.54 -0.88 115.11 122.78 3b6r h GLN 351 Ca 0.15 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 3b6r h GLN 351 Cb 0.31 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3b6r h GLN 351 CO 0.00 0.86 -0.27 0.52 -2.65 0.00 0.00 178.83 177.29 3b6r h MET 352 N 1.13 0.08 -0.08 1.69 2.86 -0.79 0.75 114.93 120.57 3b6r h MET 352 Ca 0.28 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.81 3b6r h MET 352 Cb 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3b6r h MET 352 CO -0.04 0.35 -0.31 0.28 1.06 0.00 0.00 176.91 178.25 3b6r h VAL 353 N 0.07 1.41 0.06 -2.22 2.07 -1.18 0.16 116.25 116.62 3b6r h VAL 353 Ca 0.01 -1.68 0.02 0.00 0.82 0.00 0.00 66.70 65.87 3b6r h VAL 353 Cb 0.53 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3b6r h VAL 353 CO 0.04 0.49 -0.16 0.58 0.02 0.00 0.00 177.57 178.54 3b6r h VAL 354 N -0.12 0.63 -0.56 2.57 2.07 -0.86 0.23 116.25 120.21 3b6r h VAL 354 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3b6r h VAL 354 Cb 0.94 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3b6r h VAL 354 CO 0.06 0.00 0.22 0.44 0.02 0.00 0.00 177.57 178.31 3b6r h ASP 355 N -0.29 0.78 -0.08 0.57 3.32 -0.89 -2.23 116.42 117.60 3b6r h ASP 355 Ca 0.03 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3b6r h ASP 355 Cb 0.32 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3b6r h ASP 355 CO -0.11 0.74 0.03 1.23 -1.72 0.00 0.00 179.24 179.41 3b6r h GLY 356 N 0.77 0.12 0.76 2.75 0.00 -0.36 -2.94 103.07 104.17 3b6r h GLY 356 Ca 0.19 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3b6r h GLY 356 CO -0.01 0.06 0.16 -2.08 0.00 0.00 0.00 176.54 174.67 3b6r h VAL 357 N -0.03 0.94 -0.95 4.60 2.07 -0.50 -1.25 116.25 121.14 3b6r h VAL 357 Ca 0.03 -0.12 0.18 0.00 0.82 0.00 0.00 66.70 67.61 3b6r h VAL 357 Cb 0.15 0.57 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 3b6r h VAL 357 CO -0.00 0.06 0.54 0.11 0.02 0.00 0.00 177.57 178.30 3b6r h LYS 358 N 0.34 0.67 -0.21 1.57 1.57 -1.32 0.84 116.57 120.02 3b6r h LYS 358 Ca 0.16 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.72 3b6r h LYS 358 Cb 0.10 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3b6r h LYS 358 CO -0.14 0.44 -0.61 1.25 -0.57 0.00 0.00 179.45 179.82 3b6r h LEU 359 N 0.69 0.80 -0.97 2.94 5.85 -1.20 -2.26 115.31 121.15 3b6r h LEU 359 Ca 0.54 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3b6r h LEU 359 Cb 0.85 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3b6r h LEU 359 CO -0.39 1.22 0.64 -0.07 -0.34 0.00 0.00 178.44 179.50 3b6r h LEU 360 N 0.52 1.08 -0.41 2.25 4.07 0.16 -1.09 115.31 121.90 3b6r h LEU 360 Ca -0.01 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 3b6r h LEU 360 Cb 1.20 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 3b6r h LEU 360 CO 0.12 0.75 -0.03 0.40 -1.08 0.00 0.00 178.44 178.61 3b6r h ILE 361 N 1.26 1.27 -0.73 1.22 2.04 -0.78 -0.75 117.51 121.03 3b6r h ILE 361 Ca 0.38 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3b6r h ILE 361 Cb -0.05 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3b6r h ILE 361 CO -0.11 0.36 0.46 -0.33 0.00 0.00 0.00 178.15 178.53 3b6r h GLU 362 N 0.57 0.98 -0.36 2.37 5.08 -0.80 -1.16 114.58 121.25 3b6r h GLU 362 Ca 0.11 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3b6r h GLU 362 Cb 0.52 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3b6r h GLU 362 CO 0.03 0.67 -0.36 0.52 -1.00 0.00 0.00 179.01 178.86 3b6r h MET 363 N 1.00 0.89 -0.41 2.33 2.86 -0.89 -2.07 114.93 118.64 3b6r h MET 363 Ca 0.27 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3b6r h MET 363 Cb -0.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3b6r h MET 363 CO -0.05 1.12 0.25 1.49 1.06 0.00 0.00 176.91 180.78 3b6r h GLU 364 N 0.69 0.55 -0.67 1.72 4.57 -0.63 -1.07 114.58 119.75 3b6r h GLU 364 Ca 0.06 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3b6r h GLU 364 Cb 0.95 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 3b6r h GLU 364 CO 0.09 0.40 0.36 1.96 -1.18 0.00 0.00 179.01 180.64 3b6r h GLN 365 N 0.54 0.93 -0.16 1.92 4.20 -1.17 -0.35 115.11 121.03 3b6r h GLN 365 Ca 0.15 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.78 3b6r h GLN 365 Cb -0.01 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 3b6r h GLN 365 CO -0.03 0.71 -0.05 0.00 -0.67 0.00 0.00 178.83 178.79 3b6r h ARG 366 N 0.91 -0.02 -0.70 1.46 2.47 -1.00 -1.87 114.38 115.64 3b6r h ARG 366 Ca 0.23 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.98 3b6r h ARG 366 Cb 0.05 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 3b6r h ARG 366 CO -0.04 -0.01 0.46 -0.07 0.56 0.00 0.00 179.97 180.87 3b6r h LEU 367 N -0.02 0.76 -0.66 3.04 3.38 -0.74 -0.71 115.31 120.35 3b6r h LEU 367 Ca 0.08 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3b6r h LEU 367 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3b6r h LEU 367 CO -0.18 0.53 0.41 -0.33 0.09 0.00 0.00 178.44 178.96 3b6r h GLU 368 N 0.89 0.77 0.00 1.13 5.08 -0.28 0.13 114.58 122.29 3b6r h GLU 368 Ca 0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3b6r h GLU 368 Cb -0.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3b6r h GLU 368 CO -0.07 0.51 0.00 1.04 -1.00 0.00 0.00 179.01 179.49 3b6r n GLN 369 N -4.71 0.83 -1.54 2.33 1.13 -0.57 -4.86 117.38 110.00 3b6r n GLN 369 Ca 0.07 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.01 3b6r n GLN 369 Cb 0.10 -1.36 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 3b6r n GLN 369 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3b6r n GLY 370 N 0.57 0.95 3.98 1.08 0.00 0.45 -5.01 105.19 107.21 3b6r n GLY 370 Ca 0.14 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 3b6r n GLY 370 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b6r s GLN 371 N -3.35 2.29 0.35 1.61 -0.21 -0.38 -4.98 119.66 114.99 3b6r s GLN 371 Ca 0.00 -0.95 -0.08 0.00 0.02 0.00 0.00 55.36 54.35 3b6r s GLN 371 Cb 0.00 -2.46 -0.06 0.00 1.00 0.00 0.00 33.01 31.49 3b6r s GLN 371 CO 0.00 -0.91 0.67 0.00 -2.12 0.00 0.00 175.29 172.92 3b6r s ALA 372 N -2.85 3.48 -0.19 6.09 0.00 -1.26 -4.23 121.76 122.81 3b6r s ALA 372 Ca 0.60 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3b6r s ALA 372 Cb -0.09 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.57 3b6r s ALA 372 CO 0.40 0.10 0.82 0.44 0.00 0.00 0.00 175.76 177.52 3b6r n ILE 373 N -1.15 0.55 -0.20 0.00 -5.35 -1.26 -4.75 119.36 107.19 3b6r n ILE 373 Ca 0.00 -0.77 -0.01 0.00 -0.27 0.00 0.00 62.75 61.70 3b6r n ILE 373 Cb 0.54 0.74 0.10 0.00 -1.74 0.00 0.00 39.64 39.29 3b6r n ILE 373 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3b6r h ASP 374 N 0.35 0.27 0.40 7.28 3.32 -1.98 0.54 116.42 126.61 3b6r h ASP 374 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3b6r h ASP 374 Cb 0.33 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3b6r h ASP 374 CO 0.00 0.17 0.00 -2.24 -1.72 0.00 0.00 179.24 175.45 3b6r h ASP 375 N 0.44 0.00 0.44 6.45 2.03 -2.04 -1.57 116.42 122.17 3b6r h ASP 375 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 3b6r h ASP 375 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 3b6r h ASP 375 CO -0.28 0.00 -1.10 0.18 -1.03 0.00 0.00 179.24 177.01 3b6r n LEU 376 N -2.46 0.59 -4.63 0.15 4.77 0.12 -4.95 117.00 110.60 3b6r n LEU 376 Ca -0.00 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.50 3b6r n LEU 376 Cb 0.14 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3b6r n LEU 376 CO 0.17 0.02 0.97 0.23 -1.33 0.00 0.00 177.39 177.45 3b6r n MET 377 N -2.04 1.60 -2.70 3.23 2.81 -0.59 -4.97 117.12 114.46 3b6r n MET 377 Ca 0.01 0.57 -0.24 0.00 -1.81 0.00 0.00 57.70 56.24 3b6r n MET 377 Cb 0.45 -2.23 0.02 0.00 -0.71 0.00 0.00 33.22 30.76 3b6r n MET 377 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3b6r s PRO 378 N 0.26 2.94 0.12 0.03 0.04 -1.26 -5.08 135.00 132.05 3b6r s PRO 378 Ca 0.77 -0.32 -0.02 0.00 0.04 0.00 0.00 61.00 61.48 3b6r s PRO 378 Cb -0.80 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 3b6r s PRO 378 CO 0.46 -0.50 0.30 0.00 0.04 0.00 0.00 177.00 177.30 3b6r s ALA 379 N -2.76 3.90 -0.11 8.56 0.00 -1.26 -5.00 121.76 125.09 3b6r s ALA 379 Ca 0.52 -0.75 -0.38 0.00 0.00 0.00 0.00 51.96 51.34 3b6r s ALA 379 Cb -0.10 -1.96 -0.16 0.00 0.00 0.00 0.00 23.12 20.90 3b6r s ALA 379 CO 0.41 0.69 1.60 0.94 0.00 0.00 0.00 175.76 179.40 3b6r n GLN 380 N 0.01 1.28 0.00 0.00 -0.06 -1.26 -4.78 117.38 112.57 3b6r n GLN 380 Ca -0.04 0.47 0.14 0.00 -2.00 0.00 0.00 57.00 55.56 3b6r n GLN 380 Cb 0.52 -2.15 0.49 0.00 -4.06 0.00 0.00 30.24 25.03 3b6r n GLN 380 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49