#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3r s GLY 36 N 0.00 1.84 0.32 4.83 0.00 -1.26 -4.96 107.32 108.09 3n3r s GLY 36 Ca 0.00 1.55 -0.29 0.00 0.00 0.00 0.00 44.72 45.98 3n3r s GLY 36 CO 0.00 2.63 1.21 -1.59 0.00 0.00 0.00 173.10 175.35 3n3r s THR 37 N 0.40 3.05 0.37 0.90 2.01 -1.26 -5.03 115.64 116.08 3n3r s THR 37 Ca 0.67 1.04 0.06 0.00 0.31 0.00 0.00 61.69 63.77 3n3r s THR 37 Cb -0.48 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 3n3r s THR 37 CO 0.42 0.24 0.01 -0.94 -0.69 0.00 0.00 174.62 173.66 3n3r s SER 38 N -0.70 3.33 0.39 3.53 1.04 -1.26 -5.02 113.70 115.00 3n3r s SER 38 Ca 0.48 -1.34 0.07 0.00 0.48 0.00 0.00 55.95 55.64 3n3r s SER 38 Cb -0.36 -0.28 0.80 0.00 0.10 0.00 0.00 66.02 66.28 3n3r s SER 38 CO 0.47 -0.46 2.01 0.78 0.98 0.00 0.00 173.24 177.01 3n3r h ASN 39 N 1.94 0.57 -0.02 7.02 2.35 -1.96 -1.47 115.58 124.00 3n3r h ASN 39 Ca -0.43 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.28 3n3r h ASN 39 Cb 1.24 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.47 3n3r h ASN 39 CO 0.75 0.39 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.75 3n3r h ARG 40 N 0.66 0.25 -0.29 0.81 9.65 -1.97 -0.38 114.38 123.12 3n3r h ARG 40 Ca 0.24 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.98 3n3r h ARG 40 Cb 0.11 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3n3r h ARG 40 CO -0.06 0.35 -0.14 -0.44 2.80 0.00 0.00 179.97 182.48 3n3r h ASP 41 N 0.24 0.63 0.05 -3.80 3.32 -1.69 -3.11 116.42 112.06 3n3r h ASP 41 Ca 0.05 -0.40 -0.18 0.00 0.02 0.00 0.00 57.03 56.52 3n3r h ASP 41 Cb 0.31 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3n3r h ASP 41 CO 0.02 0.89 -0.63 -0.50 -1.72 0.00 0.00 179.24 177.30 3n3r h TRP 42 N 0.36 0.73 -2.59 4.55 -0.00 -1.01 -3.39 115.95 114.59 3n3r h TRP 42 Ca 0.07 -0.28 -0.60 0.00 -0.00 0.00 0.00 58.89 58.07 3n3r h TRP 42 Cb 0.65 -0.13 -0.39 0.00 -0.00 0.00 0.00 29.16 29.29 3n3r h TRP 42 CO 0.06 1.04 -0.86 -1.58 -0.00 0.00 0.00 178.44 177.10 3n3r s TRP 43 N -3.87 1.74 -1.20 0.49 0.51 -0.19 -4.98 118.94 111.44 3n3r s TRP 43 Ca -0.07 -2.56 0.28 0.00 -2.12 0.00 0.00 56.10 51.63 3n3r s TRP 43 Cb 0.11 -1.42 1.09 0.00 -0.81 0.00 0.00 33.47 32.44 3n3r s TRP 43 CO 0.85 -0.75 1.80 -0.35 -0.51 0.00 0.00 176.95 177.99 3n3r n PRO 44 N 2.71 0.21 0.00 4.98 -0.04 -1.17 -2.61 135.00 139.08 3n3r n PRO 44 Ca 0.25 -0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 3n3r n PRO 44 Cb 0.43 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 3n3r n PRO 44 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3n3r n ASN 45 N -1.34 2.21 -4.76 3.54 3.02 -1.26 -4.97 115.26 111.69 3n3r n ASN 45 Ca 0.09 -1.60 -0.38 0.00 -0.03 0.00 0.00 54.58 52.65 3n3r n ASN 45 Cb 0.31 0.38 0.01 0.00 -0.61 0.00 0.00 39.78 39.87 3n3r n ASN 45 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3n3r s GLN 46 N -2.33 3.59 0.42 3.52 -1.52 -1.07 -4.95 119.66 117.31 3n3r s GLN 46 Ca 0.20 2.11 -0.26 0.00 -1.95 0.00 0.00 55.36 55.46 3n3r s GLN 46 Cb 0.18 -2.48 -0.09 0.00 -0.22 0.00 0.00 33.01 30.40 3n3r s GLN 46 CO 0.50 -0.79 1.42 -1.17 -0.25 0.00 0.00 175.29 175.01 3n3r s LEU 47 N -3.01 4.20 -0.52 2.90 2.96 -1.26 -5.01 118.68 118.94 3n3r s LEU 47 Ca 0.64 2.92 -0.14 0.00 -0.22 0.00 0.00 54.13 57.33 3n3r s LEU 47 Cb -0.37 -3.83 0.13 0.00 0.50 0.00 0.00 46.19 42.61 3n3r s LEU 47 CO 0.46 -1.01 0.45 -0.62 -1.32 0.00 0.00 176.35 174.31 3n3r s ASP 48 N -0.42 6.04 0.19 3.68 2.15 -1.26 -4.95 116.67 122.09 3n3r s ASP 48 Ca 0.57 -1.86 0.26 0.00 0.43 0.00 0.00 52.55 51.96 3n3r s ASP 48 Cb -0.44 -2.14 0.87 0.00 -0.30 0.00 0.00 42.92 40.91 3n3r s ASP 48 CO 0.57 -0.80 1.79 0.18 -0.17 0.00 0.00 175.17 176.75 3n3r n LEU 49 N 5.10 0.71 0.17 -1.34 4.77 -1.26 -3.58 117.00 121.56 3n3r n LEU 49 Ca -0.11 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 3n3r n LEU 49 Cb 0.40 -0.35 0.70 0.00 -2.33 0.00 0.00 43.42 41.84 3n3r n LEU 49 CO 0.50 -0.18 1.12 0.28 -1.33 0.00 0.00 177.39 177.78 3n3r h SER 50 N 0.00 0.00 -0.06 -1.43 0.02 -1.97 0.17 113.55 110.27 3n3r h SER 50 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3n3r h SER 50 Cb 0.69 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 3n3r h SER 50 CO 0.00 0.00 0.07 0.16 -1.14 0.00 0.00 176.83 175.92 3n3r h ILE 51 N 0.00 0.49 -0.00 3.27 3.07 -1.99 -0.49 117.51 121.85 3n3r h ILE 51 Ca 0.10 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.51 3n3r h ILE 51 Cb 0.41 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 3n3r h ILE 51 CO -0.00 0.00 -0.04 0.18 -1.05 0.00 0.00 178.15 177.24 3n3r n LEU 52 N -3.81 0.16 -0.28 0.16 4.77 0.05 -3.87 117.00 114.18 3n3r n LEU 52 Ca -0.01 0.16 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 3n3r n LEU 52 Cb 0.17 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3n3r n LEU 52 CO 0.27 0.03 0.40 1.41 -1.33 0.00 0.00 177.39 178.17 3n3r n HIS 53 N -1.14 0.00 -1.45 -1.77 8.25 -0.23 -4.35 115.22 114.53 3n3r n HIS 53 Ca 0.15 -0.46 -0.30 0.00 -0.26 0.00 0.00 57.72 56.85 3n3r n HIS 53 Cb 0.24 -0.09 0.09 0.00 1.12 0.00 0.00 29.99 31.34 3n3r n HIS 53 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3n3r s ARG 54 N -1.31 2.17 -1.50 -0.41 1.81 -0.96 -4.06 118.95 114.69 3n3r s ARG 54 Ca 0.14 0.83 -0.02 0.00 -1.72 0.00 0.00 55.73 54.97 3n3r s ARG 54 Cb 0.13 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 3n3r s ARG 54 CO 0.01 -1.61 0.22 0.72 -0.68 0.00 0.00 175.30 173.97 3n3r n HIS 55 N -3.45 -1.23 -1.68 -0.53 8.25 -1.26 -4.98 115.22 110.33 3n3r n HIS 55 Ca 0.07 0.19 -0.29 0.00 -0.26 0.00 0.00 57.72 57.43 3n3r n HIS 55 Cb 0.55 -3.83 0.15 0.00 1.12 0.00 0.00 29.99 27.98 3n3r n HIS 55 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3n3r s SER 56 N -2.40 3.29 0.54 0.41 1.04 -1.26 -4.94 113.70 110.38 3n3r s SER 56 Ca 0.11 0.67 0.24 0.00 0.48 0.00 0.00 55.95 57.44 3n3r s SER 56 Cb -0.05 -1.02 1.50 0.00 0.10 0.00 0.00 66.02 66.55 3n3r s SER 56 CO 0.13 -2.66 2.15 0.77 0.98 0.00 0.00 173.24 174.62 3n3r h SER 57 N -1.58 0.00 -0.22 7.02 4.64 -1.93 -2.88 113.55 118.60 3n3r h SER 57 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3n3r h SER 57 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3n3r h SER 57 CO 0.52 0.06 0.12 -0.07 -0.87 0.00 0.00 176.83 176.59 3n3r h LEU 58 N 0.00 0.28 -0.11 5.97 3.38 -1.99 -2.86 115.31 119.98 3n3r h LEU 58 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3n3r h LEU 58 Cb 0.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3n3r h LEU 58 CO 0.01 0.29 -0.07 -1.54 0.09 0.00 0.00 178.44 177.21 3n3r n SER 59 N -4.87 0.24 -4.63 -0.43 3.41 -1.09 -4.80 113.62 101.45 3n3r n SER 59 Ca -0.03 -0.30 -0.39 0.00 -0.26 0.00 0.00 58.87 57.88 3n3r n SER 59 Cb 0.08 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 3n3r n SER 59 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n3r s ASP 60 N -2.58 6.42 0.13 4.04 -1.08 -1.08 -4.89 116.67 117.63 3n3r s ASP 60 Ca 0.27 0.51 0.25 0.00 -0.52 0.00 0.00 52.55 53.05 3n3r s ASP 60 Cb 0.20 -2.26 0.94 0.00 -1.46 0.00 0.00 42.92 40.34 3n3r s ASP 60 CO 0.48 -0.22 1.77 -0.81 0.52 0.00 0.00 175.17 176.91 3n3r n PRO 61 N 5.24 0.14 -2.54 4.34 -0.04 -1.26 -4.81 135.00 136.07 3n3r n PRO 61 Ca -0.05 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 3n3r n PRO 61 Cb 0.50 -1.69 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 3n3r n PRO 61 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3n3r s MET 62 N -3.10 4.01 0.83 0.54 -1.94 -1.26 -5.03 119.30 113.36 3n3r s MET 62 Ca 0.10 1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 55.01 3n3r s MET 62 Cb 0.13 -2.14 0.09 0.00 2.01 0.00 0.00 34.83 34.92 3n3r s MET 62 CO 0.49 -0.22 1.09 0.20 -0.01 0.00 0.00 175.02 176.58 3n3r s GLY 63 N -2.70 1.65 0.54 -0.03 0.00 -1.26 -4.85 107.32 100.67 3n3r s GLY 63 Ca 0.61 0.11 0.29 0.00 0.00 0.00 0.00 44.72 45.73 3n3r s GLY 63 CO 0.25 0.53 2.10 0.50 0.00 0.00 0.00 173.10 176.48 3n3r h LYS 64 N -1.33 0.00 -0.46 2.90 6.56 -1.95 -0.24 116.57 122.05 3n3r h LYS 64 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 3n3r h LYS 64 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 3n3r h LYS 64 CO 0.53 0.09 0.00 -0.25 -2.06 0.00 0.00 179.45 177.76 3n3r n ASP 65 N -3.57 3.29 -4.69 0.86 8.00 -1.26 -4.96 116.55 114.22 3n3r n ASP 65 Ca -0.02 -1.97 -0.44 0.00 0.71 0.00 0.00 54.79 53.08 3n3r n ASP 65 Cb 0.22 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 3n3r n ASP 65 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3n3r n PHE 66 N 1.35 2.33 -3.89 1.24 7.35 -0.10 -4.96 117.46 120.78 3n3r n PHE 66 Ca 0.20 0.42 -0.30 0.00 -0.76 0.00 0.00 57.45 57.01 3n3r n PHE 66 Cb 0.56 -2.48 -0.16 0.00 0.35 0.00 0.00 39.48 37.75 3n3r n PHE 66 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3n3r s ASN 67 N 0.21 3.65 0.30 -2.13 3.84 -1.26 -4.98 114.94 114.58 3n3r s ASN 67 Ca 0.65 -1.12 -0.01 0.00 0.21 0.00 0.00 52.86 52.58 3n3r s ASN 67 Cb -0.60 -1.04 0.46 0.00 -0.55 0.00 0.00 41.25 39.52 3n3r s ASN 67 CO 0.52 -0.26 1.92 0.22 -2.79 0.00 0.00 177.10 176.71 3n3r h TYR 68 N 8.02 0.93 -0.85 0.43 3.20 -1.94 -2.11 116.97 124.66 3n3r h TYR 68 Ca -0.17 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.69 3n3r h TYR 68 Cb 1.08 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 3n3r h TYR 68 CO 0.45 0.65 0.56 0.00 -1.64 0.00 0.00 178.16 178.18 3n3r h ALA 69 N 1.45 1.40 -0.67 1.82 0.00 -1.93 0.71 119.26 122.04 3n3r h ALA 69 Ca 0.24 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3n3r h ALA 69 Cb 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3n3r h ALA 69 CO -0.04 0.55 0.16 1.96 0.00 0.00 0.00 179.25 181.89 3n3r h GLN 70 N 1.14 1.05 -0.35 0.00 4.20 -1.82 -0.73 115.11 118.60 3n3r h GLN 70 Ca 0.31 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3n3r h GLN 70 Cb -0.12 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3n3r h GLN 70 CO -0.07 0.93 0.13 0.00 -0.67 0.00 0.00 178.83 179.15 3n3r h ALA 71 N 1.17 0.46 -0.45 3.87 0.00 -0.94 -2.90 119.26 120.46 3n3r h ALA 71 Ca 0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3n3r h ALA 71 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3n3r h ALA 71 CO 0.00 0.06 -0.02 0.35 0.00 0.00 0.00 179.25 179.65 3n3r h PHE 72 N 0.42 0.80 0.00 0.00 3.57 -0.68 -2.32 116.94 118.72 3n3r h PHE 72 Ca 0.12 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n3r h PHE 72 Cb 0.20 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3n3r h PHE 72 CO -0.00 0.76 0.00 0.93 -2.23 0.00 0.00 178.31 177.77 3n3r h GLU 73 N 0.70 0.00 -0.10 1.11 4.39 -0.92 -1.11 114.58 118.65 3n3r h GLU 73 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3n3r h GLU 73 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3n3r h GLU 73 CO 0.02 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.50 3n3r n LYS 74 N -2.68 2.28 -1.92 2.33 5.02 -0.91 -4.95 118.16 117.34 3n3r n LYS 74 Ca 0.02 -1.88 -0.39 0.00 -2.02 0.00 0.00 58.31 54.03 3n3r n LYS 74 Cb 0.28 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 3n3r n LYS 74 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3n3r s LEU 75 N -1.89 4.07 -1.12 -0.35 2.96 -0.42 -4.91 118.68 117.01 3n3r s LEU 75 Ca 0.31 2.74 -0.18 0.00 -0.22 0.00 0.00 54.13 56.78 3n3r s LEU 75 Cb 0.21 -4.04 0.12 0.00 0.50 0.00 0.00 46.19 42.97 3n3r s LEU 75 CO 0.31 -1.15 1.42 -0.62 -1.32 0.00 0.00 176.35 174.98 3n3r s ASP 76 N -0.78 6.81 0.32 3.68 -1.08 -1.26 -4.83 116.67 119.53 3n3r s ASP 76 Ca 0.63 -2.36 0.02 0.00 -0.52 0.00 0.00 52.55 50.31 3n3r s ASP 76 Cb -0.40 -2.47 0.53 0.00 -1.46 0.00 0.00 42.92 39.13 3n3r s ASP 76 CO 0.50 -1.05 1.89 0.25 0.52 0.00 0.00 175.17 177.27 3n3r h LEU 77 N 11.04 0.66 -0.70 -1.34 5.85 -1.93 -1.76 115.31 127.14 3n3r h LEU 77 Ca 0.28 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3n3r h LEU 77 Cb 0.94 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3n3r h LEU 77 CO 1.29 0.63 -0.18 0.00 -0.34 0.00 0.00 178.44 179.84 3n3r h ALA 78 N 1.46 0.89 -0.43 1.25 0.00 -1.99 -0.21 119.26 120.23 3n3r h ALA 78 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3n3r h ALA 78 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3n3r h ALA 78 CO -0.01 0.63 0.22 0.00 0.00 0.00 0.00 179.25 180.09 3n3r h ALA 79 N 1.08 0.56 -0.57 0.00 0.00 -1.77 -0.75 119.26 117.81 3n3r h ALA 79 Ca 0.11 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3n3r h ALA 79 Cb 0.69 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3n3r h ALA 79 CO 0.05 0.11 0.30 0.28 0.00 0.00 0.00 179.25 179.99 3n3r h VAL 80 N 0.56 0.97 -0.54 0.00 2.07 -0.67 -1.50 116.25 117.13 3n3r h VAL 80 Ca 0.15 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3n3r h VAL 80 Cb 0.10 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3n3r h VAL 80 CO -0.02 0.11 0.14 0.11 0.02 0.00 0.00 177.57 177.93 3n3r h LYS 81 N 0.58 0.83 -0.69 1.57 1.57 -0.79 0.54 116.57 120.17 3n3r h LYS 81 Ca 0.25 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3n3r h LYS 81 Cb 0.14 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3n3r h LYS 81 CO -0.16 0.74 0.19 0.00 -0.57 0.00 0.00 179.45 179.64 3n3r h ARG 82 N 0.80 1.09 -0.42 3.15 3.08 -0.80 -0.10 114.38 121.19 3n3r h ARG 82 Ca 0.18 -0.24 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 3n3r h ARG 82 Cb 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3n3r h ARG 82 CO -0.00 0.95 -0.19 -0.44 -1.07 0.00 0.00 179.97 179.21 3n3r h ASP 83 N 1.04 0.82 -0.51 7.04 3.32 -0.66 -0.57 116.42 126.90 3n3r h ASP 83 Ca 0.22 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3n3r h ASP 83 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3n3r h ASP 83 CO -0.00 1.00 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.45 3n3r h LEU 84 N 0.72 0.89 -0.63 1.55 3.38 -0.52 -0.53 115.31 120.16 3n3r h LEU 84 Ca 0.10 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3n3r h LEU 84 Cb 0.71 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3n3r h LEU 84 CO 0.05 0.98 0.39 0.45 0.09 0.00 0.00 178.44 180.41 3n3r h HIS 85 N 0.77 0.74 -0.24 1.13 3.86 -0.72 -2.39 115.15 118.30 3n3r h HIS 85 Ca 0.14 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 3n3r h HIS 85 Cb 0.53 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3n3r h HIS 85 CO 0.04 0.43 -0.09 0.00 0.86 0.00 0.00 177.93 179.17 3n3r h ALA 86 N 1.27 1.40 -0.10 2.45 0.00 -0.78 -2.76 119.26 120.74 3n3r h ALA 86 Ca 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3n3r h ALA 86 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3n3r h ALA 86 CO -0.10 0.42 -0.18 1.25 0.00 0.00 0.00 179.25 180.64 3n3r h LEU 87 N 0.37 0.15 -1.54 0.00 5.85 -0.60 -3.09 115.31 116.45 3n3r h LEU 87 Ca 0.07 -0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.91 3n3r h LEU 87 Cb 0.39 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3n3r h LEU 87 CO 0.02 0.35 0.52 0.24 -0.34 0.00 0.00 178.44 179.23 3n3r h MET 88 N 0.15 0.44 -0.12 1.25 2.86 -1.20 -1.40 114.93 116.90 3n3r h MET 88 Ca 0.03 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3n3r h MET 88 Cb 0.41 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3n3r h MET 88 CO 0.03 0.29 -0.11 0.25 1.06 0.00 0.00 176.91 178.42 3n3r n THR 89 N -4.49 2.17 -3.33 2.22 -2.24 -1.17 -0.42 114.28 107.02 3n3r n THR 89 Ca 0.15 -2.46 -0.47 0.00 -2.27 0.00 0.00 64.05 59.00 3n3r n THR 89 Cb 0.53 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 3n3r n THR 89 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n3r s THR 90 N -3.01 5.70 0.18 4.28 2.01 -0.53 -4.92 115.64 119.35 3n3r s THR 90 Ca 0.38 -2.69 -0.30 0.00 0.31 0.00 0.00 61.69 59.39 3n3r s THR 90 Cb 0.34 -4.51 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 3n3r s THR 90 CO 0.02 -1.07 1.16 -0.55 -0.69 0.00 0.00 174.62 173.48 3n3r s SER 91 N 1.97 7.16 -0.13 3.53 0.15 -1.26 -4.98 113.70 120.14 3n3r s SER 91 Ca 0.21 2.16 -0.07 0.00 0.70 0.00 0.00 55.95 58.96 3n3r s SER 91 Cb -0.10 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 3n3r s SER 91 CO -0.09 -0.32 0.12 -1.10 1.20 0.00 0.00 173.24 173.06 3n3r s GLN 92 N -0.23 3.52 0.52 5.44 -1.52 -1.26 -4.96 119.66 121.17 3n3r s GLN 92 Ca 0.52 -0.17 0.34 0.00 -1.95 0.00 0.00 55.36 54.09 3n3r s GLN 92 Cb -0.31 -3.19 1.46 0.00 -0.22 0.00 0.00 33.01 30.76 3n3r s GLN 92 CO 0.36 0.69 2.00 -0.44 -0.25 0.00 0.00 175.29 177.64 3n3r h ASP 93 N 5.28 0.00 0.76 5.90 3.45 -1.99 -1.36 116.42 128.47 3n3r h ASP 93 Ca -0.52 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.94 3n3r h ASP 93 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3n3r h ASP 93 CO 0.61 0.00 0.00 -2.67 -1.57 0.00 0.00 179.24 175.61 3n3r n TRP 94 N -2.95 0.00 -2.81 4.55 4.27 -1.26 -4.22 117.44 115.01 3n3r n TRP 94 Ca 0.00 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.55 3n3r n TRP 94 Cb 0.26 -0.41 0.00 0.00 -1.36 0.00 0.00 31.31 29.80 3n3r n TRP 94 CO 0.00 0.00 0.00 1.87 -2.29 0.00 0.00 177.69 177.27 3n3r n TRP 95 N -1.41 -3.62 -1.99 -2.67 -0.00 -0.55 -4.97 117.44 102.23 3n3r n TRP 95 Ca 0.09 -1.51 -0.38 0.00 -0.00 0.00 0.00 57.50 55.70 3n3r n TRP 95 Cb 0.28 1.39 0.01 0.00 -0.00 0.00 0.00 31.31 32.99 3n3r n TRP 95 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 3n3r s PRO 96 N 0.81 3.60 -0.11 5.87 0.02 -0.97 -4.35 135.00 139.86 3n3r s PRO 96 Ca 0.30 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 63.12 3n3r s PRO 96 Cb 0.00 -2.47 -0.02 0.00 0.02 0.00 0.00 34.50 32.03 3n3r s PRO 96 CO -0.06 -0.78 1.15 0.00 -0.33 0.00 0.00 177.00 176.98 3n3r s ALA 97 N -1.35 3.53 0.19 -1.55 0.00 -1.26 -4.47 121.76 116.85 3n3r s ALA 97 Ca 0.64 0.48 -0.33 0.00 0.00 0.00 0.00 51.96 52.75 3n3r s ALA 97 Cb -0.37 -3.52 -0.14 0.00 0.00 0.00 0.00 23.12 19.09 3n3r s ALA 97 CO 0.45 -0.85 1.51 -0.25 0.00 0.00 0.00 175.76 176.63 3n3r n ASP 98 N 5.59 2.94 -1.33 0.00 10.43 -1.26 -1.67 116.55 131.25 3n3r n ASP 98 Ca 0.11 1.11 -0.16 0.00 2.57 0.00 0.00 54.79 58.41 3n3r n ASP 98 Cb 0.46 -1.42 -0.07 0.00 1.84 0.00 0.00 41.12 41.93 3n3r n ASP 98 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3n3r n PHE 99 N 2.86 -0.08 -1.11 1.24 3.01 0.16 -1.16 117.46 122.38 3n3r n PHE 99 Ca 0.15 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.57 3n3r n PHE 99 Cb 0.29 -3.07 -0.02 0.00 -0.01 0.00 0.00 39.48 36.68 3n3r n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n3r n GLY 100 N -0.17 0.58 2.87 1.37 0.00 -0.67 -5.00 105.19 104.16 3n3r n GLY 100 Ca -0.16 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 3n3r n GLY 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3n3r s HIS 101 N -1.80 -0.20 -2.00 1.61 5.04 -0.31 -4.37 115.29 113.26 3n3r s HIS 101 Ca 0.00 0.62 0.10 0.00 -1.54 0.00 0.00 55.06 54.25 3n3r s HIS 101 Cb 0.00 -0.20 0.62 0.00 0.04 0.00 0.00 32.58 33.04 3n3r s HIS 101 CO 0.00 -0.26 1.32 0.66 -2.34 0.00 0.00 174.74 174.12 3n3r n TYR 102 N 5.07 0.00 -0.08 3.88 4.01 0.44 -4.32 117.16 126.16 3n3r n TYR 102 Ca -0.10 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.57 3n3r n TYR 102 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3n3r n TYR 102 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3n3r h GLY 103 N 5.13 0.36 0.99 2.72 0.00 -1.91 -1.22 103.07 109.13 3n3r h GLY 103 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3n3r h GLY 103 CO 0.00 0.02 0.26 -1.33 0.00 0.00 0.00 176.54 175.48 3n3r h GLY 104 N 0.21 0.60 0.95 4.60 0.00 -1.88 0.11 103.07 107.67 3n3r h GLY 104 Ca 0.13 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.24 3n3r h GLY 104 CO -0.15 0.24 0.57 -2.00 0.00 0.00 0.00 176.54 175.20 3n3r h LEU 105 N 0.55 0.97 -0.77 3.11 5.85 -1.73 -1.11 115.31 122.19 3n3r h LEU 105 Ca 0.15 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 3n3r h LEU 105 Cb -0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3n3r h LEU 105 CO -0.03 0.69 -0.59 -0.26 -0.34 0.00 0.00 178.44 177.91 3n3r h PHE 106 N 1.14 0.00 -0.29 1.25 0.04 -0.67 0.47 116.94 118.89 3n3r h PHE 106 Ca 0.33 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.99 3n3r h PHE 106 Cb -0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 3n3r h PHE 106 CO -0.01 0.59 -0.25 0.82 -0.60 0.00 0.00 178.31 178.85 3n3r h ILE 107 N 0.00 1.30 -0.93 -0.55 2.04 -0.40 -0.90 117.51 118.06 3n3r h ILE 107 Ca -0.01 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.45 3n3r h ILE 107 Cb 1.08 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 3n3r h ILE 107 CO 0.08 0.45 0.62 -0.09 0.00 0.00 0.00 178.15 179.20 3n3r h ARG 108 N 0.42 1.22 -0.63 2.37 2.43 -1.07 -2.76 114.38 116.36 3n3r h ARG 108 Ca 0.05 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3n3r h ARG 108 Cb 0.81 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3n3r h ARG 108 CO 0.06 0.81 0.41 1.98 -1.51 0.00 0.00 179.97 181.72 3n3r h MET 109 N 1.26 0.84 -1.48 0.20 4.05 -0.57 0.43 114.93 119.67 3n3r h MET 109 Ca 0.34 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 3n3r h MET 109 Cb -0.15 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.47 3n3r h MET 109 CO -0.07 0.57 0.00 0.00 0.23 0.00 0.00 176.91 177.64 3n3r n ALA 110 N -2.28 2.50 0.00 0.39 0.00 -0.37 -1.01 120.51 119.74 3n3r n ALA 110 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3n3r n ALA 110 Cb 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3n3r n ALA 110 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3n3r n HIS 112 N 0.91 0.00 -0.11 0.00 8.25 0.15 -1.55 115.22 122.87 3n3r n HIS 112 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 3n3r n HIS 112 Cb 0.36 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 3n3r n HIS 112 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3n3r h SER 113 N 0.00 0.44 1.34 0.41 0.87 -1.31 -2.65 113.55 112.65 3n3r h SER 113 Ca 0.00 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 3n3r h SER 113 Cb 0.00 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3n3r h SER 113 CO 0.00 0.42 -0.29 0.00 -0.53 0.00 0.00 176.83 176.43 3n3r h ALA 114 N 1.03 0.88 0.00 6.23 0.00 -1.55 -2.89 119.26 122.96 3n3r h ALA 114 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3n3r h ALA 114 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3n3r h ALA 114 CO -0.02 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3n3r n GLY 115 N 0.74 -1.15 0.42 0.00 0.00 -1.00 -2.68 105.19 101.53 3n3r n GLY 115 Ca 0.02 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.05 3n3r n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3n3r n THR 116 N -1.29 0.00 -1.90 2.61 -2.24 -1.25 -4.74 114.28 105.48 3n3r n THR 116 Ca 0.12 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 3n3r n THR 116 Cb 0.21 0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 3n3r n THR 116 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3n3r s TYR 117 N -2.04 2.57 -0.06 4.78 5.04 -1.09 -4.01 117.35 122.54 3n3r s TYR 117 Ca 0.38 1.33 0.02 0.00 -2.44 0.00 0.00 57.07 56.36 3n3r s TYR 117 Cb 0.21 -3.81 0.01 0.00 0.35 0.00 0.00 41.96 38.73 3n3r s TYR 117 CO 0.35 -2.60 -0.11 1.03 -1.34 0.00 0.00 175.55 172.88 3n3r s ARG 118 N -2.44 1.54 0.54 4.97 3.00 -0.54 -4.46 118.95 121.56 3n3r s ARG 118 Ca 0.61 -0.36 0.33 0.00 0.00 0.00 0.00 55.73 56.31 3n3r s ARG 118 Cb -0.41 -1.30 1.33 0.00 0.00 0.00 0.00 34.95 34.57 3n3r s ARG 118 CO 0.52 0.01 1.97 0.00 0.00 0.00 0.00 175.30 177.80 3n3r h THR 119 N 5.98 0.07 -0.55 0.02 1.03 -1.23 0.16 112.91 118.39 3n3r h THR 119 Ca -0.32 -0.57 0.03 0.00 -0.01 0.00 0.00 66.41 65.54 3n3r h THR 119 Cb 1.18 1.53 -0.04 0.00 -1.07 0.00 0.00 68.15 69.76 3n3r h THR 119 CO 0.48 0.02 0.32 0.00 -0.01 0.00 0.00 175.52 176.33 3n3r h ALA 120 N 1.98 0.71 0.00 0.00 0.00 -1.84 -3.24 119.26 116.87 3n3r h ALA 120 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n3r h ALA 120 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3n3r h ALA 120 CO 0.00 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 178.87 3n3r n ASP 121 N -4.80 0.44 0.00 0.00 5.68 -1.22 -4.85 116.55 111.80 3n3r n ASP 121 Ca 0.05 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 3n3r n ASP 121 Cb 0.10 0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3n3r n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n3r n GLY 122 N 0.47 0.91 3.79 6.12 0.00 0.55 -4.71 105.19 112.32 3n3r n GLY 122 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3n3r n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3r s ARG 123 N -0.07 1.24 1.42 1.61 0.52 -1.22 -3.38 118.95 119.08 3n3r s ARG 123 Ca 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 3n3r s ARG 123 Cb 0.00 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.62 3n3r s ARG 123 CO 0.00 -2.13 0.00 0.41 0.02 0.00 0.00 175.30 173.60 3n3r n GLY 124 N -2.22 -1.62 1.13 -3.53 0.00 -1.26 -1.46 105.19 96.23 3n3r n GLY 124 Ca 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3n3r n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3r n GLY 125 N 0.00 -2.73 0.07 -0.02 0.00 -1.26 -4.58 105.19 96.68 3n3r n GLY 125 Ca 0.00 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.44 3n3r n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r n ALA 126 N -0.27 3.21 0.52 4.61 0.00 -1.09 -4.50 120.51 122.99 3n3r n ALA 126 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.19 3n3r n ALA 126 Cb 0.00 -1.19 0.33 0.00 0.00 0.00 0.00 19.45 18.60 3n3r n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3r n GLY 127 N 1.44 -1.04 0.00 0.00 0.00 -1.26 -2.18 105.19 102.15 3n3r n GLY 127 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3n3r n GLY 127 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n3r n GLU 128 N -1.54 0.31 -2.52 1.61 1.02 -1.26 -4.28 120.64 113.98 3n3r n GLU 128 Ca 0.04 -0.80 -0.20 0.00 -0.02 0.00 0.00 57.16 56.17 3n3r n GLU 128 Cb 0.18 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3n3r n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n3r n GLY 129 N -0.16 -0.45 0.00 0.62 0.00 -0.93 -3.62 105.19 100.65 3n3r n GLY 129 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.11 3n3r n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3n3r n GLN 130 N -3.14 0.25 0.34 1.61 1.13 -1.26 -2.75 117.38 113.56 3n3r n GLN 130 Ca -0.21 0.08 0.22 0.00 -1.94 0.00 0.00 57.00 55.15 3n3r n GLN 130 Cb 0.66 -1.50 1.19 0.00 0.11 0.00 0.00 30.24 30.70 3n3r n GLN 130 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3n3r h GLN 131 N 0.00 0.00 -0.05 -1.09 4.15 -1.91 -2.02 115.11 114.19 3n3r h GLN 131 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3n3r h GLN 131 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3n3r h GLN 131 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 178.83 179.79 3n3r n ARG 132 N -3.14 1.70 -4.56 1.69 1.85 -1.11 -2.60 116.66 110.49 3n3r n ARG 132 Ca -0.03 -1.02 -0.27 0.00 -1.00 0.00 0.00 57.85 55.53 3n3r n ARG 132 Cb 0.08 -1.46 -0.11 0.00 -1.05 0.00 0.00 32.46 29.93 3n3r n ARG 132 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3n3r s PHE 133 N -1.95 2.47 0.49 2.89 0.40 -0.76 -4.84 117.98 116.68 3n3r s PHE 133 Ca 0.37 -0.57 -0.21 0.00 -0.60 0.00 0.00 56.93 55.91 3n3r s PHE 133 Cb 0.20 -1.58 -0.07 0.00 0.51 0.00 0.00 43.02 42.09 3n3r s PHE 133 CO 0.32 0.51 1.14 0.00 0.70 0.00 0.00 175.22 177.89 3n3r s ALA 134 N -2.65 2.85 -0.72 5.36 0.00 -1.26 -0.42 121.76 124.91 3n3r s ALA 134 Ca 0.34 0.87 0.25 0.00 0.00 0.00 0.00 51.96 53.41 3n3r s ALA 134 Cb 0.06 -3.36 0.46 0.00 0.00 0.00 0.00 23.12 20.27 3n3r s ALA 134 CO 0.17 -0.68 1.41 -0.35 0.00 0.00 0.00 175.76 176.31 3n3r n PRO 135 N -0.84 0.23 0.11 0.00 -0.04 -1.26 -4.60 135.00 128.59 3n3r n PRO 135 Ca 0.09 0.08 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 3n3r n PRO 135 Cb 0.49 -1.66 0.42 0.00 -0.04 0.00 0.00 33.50 32.72 3n3r n PRO 135 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3n3r h LEU 136 N 0.00 0.25 -0.07 1.53 3.38 -1.68 -0.03 115.31 118.69 3n3r h LEU 136 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3n3r h LEU 136 Cb 0.69 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3n3r h LEU 136 CO 0.00 0.34 0.00 -0.46 0.09 0.00 0.00 178.44 178.41 3n3r n ASN 137 N -4.33 0.04 -0.08 -0.43 0.23 0.44 -2.54 115.26 108.59 3n3r n ASN 137 Ca -0.00 0.51 0.03 0.00 -0.53 0.00 0.00 54.58 54.59 3n3r n ASN 137 Cb 0.22 -0.52 0.04 0.00 -2.08 0.00 0.00 39.78 37.43 3n3r n ASN 137 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3n3r n SER 138 N -1.55 1.43 -4.76 0.53 7.64 -0.07 -4.65 113.62 112.19 3n3r n SER 138 Ca 0.02 -2.09 -0.39 0.00 1.01 0.00 0.00 58.87 57.42 3n3r n SER 138 Cb 0.10 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.18 3n3r n SER 138 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3n3r s TRP 139 N -1.17 2.57 0.31 1.43 0.52 -0.94 -4.83 118.94 116.83 3n3r s TRP 139 Ca 0.08 1.39 0.05 0.00 0.02 0.00 0.00 56.10 57.64 3n3r s TRP 139 Cb 0.07 -3.72 0.69 0.00 -1.15 0.00 0.00 33.47 29.37 3n3r s TRP 139 CO 0.01 -2.45 1.81 -1.35 0.02 0.00 0.00 176.95 175.00 3n3r h PRO 140 N 2.08 0.81 0.00 4.98 0.11 -1.92 0.81 132.00 138.88 3n3r h PRO 140 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3n3r h PRO 140 Cb 1.27 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3n3r h PRO 140 CO 0.60 0.54 0.00 -3.47 -0.21 0.00 0.00 178.00 175.46 3n3r n ASP 141 N -4.67 0.37 -1.52 -2.05 2.03 -0.82 -1.66 116.55 108.23 3n3r n ASP 141 Ca 0.21 0.60 -0.00 0.00 0.52 0.00 0.00 54.79 56.11 3n3r n ASP 141 Cb 0.48 -0.67 0.28 0.00 -0.72 0.00 0.00 41.12 40.49 3n3r n ASP 141 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3n3r n ASN 142 N -1.91 4.22 -4.76 1.67 3.02 0.27 -4.97 115.26 112.81 3n3r n ASN 142 Ca 0.02 -3.24 -0.41 0.00 -0.03 0.00 0.00 54.58 50.93 3n3r n ASN 142 Cb 0.19 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.68 3n3r n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3r s ALA 143 N -2.98 3.61 0.00 5.41 0.00 -0.66 -1.40 121.76 125.74 3n3r s ALA 143 Ca 0.50 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3n3r s ALA 143 Cb 0.40 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3n3r s ALA 143 CO 0.10 -0.89 0.00 0.09 0.00 0.00 0.00 175.76 175.06 3n3r n ASN 144 N 1.29 0.00 0.04 0.00 3.02 -1.26 -4.79 115.26 113.55 3n3r n ASN 144 Ca 0.03 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.69 3n3r n ASN 144 Cb 0.40 -1.41 0.44 0.00 -0.61 0.00 0.00 39.78 38.59 3n3r n ASN 144 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n3r n LEU 145 N 0.00 0.24 0.06 3.41 4.77 -0.49 -1.81 117.00 123.18 3n3r n LEU 145 Ca 0.00 0.54 0.03 0.00 -0.03 0.00 0.00 56.01 56.55 3n3r n LEU 145 Cb 0.00 -0.49 0.41 0.00 -2.33 0.00 0.00 43.42 41.01 3n3r n LEU 145 CO 0.00 -0.24 1.03 -2.24 -1.33 0.00 0.00 177.39 174.61 3n3r h ASP 146 N 0.00 0.36 -0.17 -1.43 2.03 -1.87 -0.50 116.42 114.83 3n3r h ASP 146 Ca 0.00 -0.04 -0.03 0.00 -0.73 0.00 0.00 57.03 56.23 3n3r h ASP 146 Cb 0.40 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.80 3n3r h ASP 146 CO 0.00 0.37 -0.02 0.11 -1.03 0.00 0.00 179.24 178.67 3n3r h LYS 147 N 0.40 0.32 -0.43 4.15 1.79 -1.74 -1.31 116.57 119.74 3n3r h LYS 147 Ca 0.10 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3n3r h LYS 147 Cb 0.15 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 3n3r h LYS 147 CO -0.00 0.56 0.29 0.00 -1.08 0.00 0.00 179.45 179.21 3n3r h ALA 148 N 0.75 0.55 -0.81 3.86 0.00 -1.37 -0.74 119.26 121.50 3n3r h ALA 148 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3n3r h ALA 148 Cb 0.43 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3n3r h ALA 148 CO 0.01 0.00 0.45 0.00 0.00 0.00 0.00 179.25 179.71 3n3r h ARG 149 N 0.59 1.13 -0.40 0.00 3.08 -1.08 -2.60 114.38 115.10 3n3r h ARG 149 Ca 0.16 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3n3r h ARG 149 Cb -0.07 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 3n3r h ARG 149 CO -0.03 0.83 0.11 -0.09 -1.07 0.00 0.00 179.97 179.72 3n3r h ARG 150 N 1.13 0.59 0.00 0.04 9.65 -0.65 -1.19 114.38 123.95 3n3r h ARG 150 Ca 0.29 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 59.06 3n3r h ARG 150 Cb 0.03 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 3n3r h ARG 150 CO -0.05 0.53 -0.06 -0.07 2.80 0.00 0.00 179.97 183.12 3n3r h LEU 151 N 0.58 0.00 -0.55 3.80 3.38 -0.76 -2.08 115.31 119.68 3n3r h LEU 151 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3n3r h LEU 151 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3n3r h LEU 151 CO -0.01 0.06 -0.27 0.18 0.09 0.00 0.00 178.44 178.50 3n3r n LEU 152 N -3.57 1.12 -0.13 1.67 4.77 -0.46 -4.30 117.00 116.10 3n3r n LEU 152 Ca -0.02 -0.31 0.02 0.00 -0.03 0.00 0.00 56.01 55.67 3n3r n LEU 152 Cb 0.18 -0.11 0.32 0.00 -2.33 0.00 0.00 43.42 41.48 3n3r n LEU 152 CO 0.28 0.21 1.21 -0.25 -1.33 0.00 0.00 177.39 177.51 3n3r h TRP 153 N 1.34 0.77 -0.77 -1.77 -0.00 -1.19 -0.59 115.95 113.75 3n3r h TRP 153 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 3n3r h TRP 153 Cb 0.53 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.39 3n3r h TRP 153 CO 0.00 0.49 0.27 -1.35 -0.00 0.00 0.00 178.44 177.84 3n3r h PRO 154 N 0.83 1.17 -0.27 2.65 0.11 -1.79 0.28 132.00 134.98 3n3r h PRO 154 Ca 0.23 -0.24 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 3n3r h PRO 154 Cb -0.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.83 3n3r h PRO 154 CO -0.05 0.97 -0.13 0.82 -0.21 0.00 0.00 178.00 179.40 3n3r h ILE 155 N 1.13 1.30 -0.62 4.15 2.04 -1.74 -1.08 117.51 122.69 3n3r h ILE 155 Ca 0.25 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 64.95 3n3r h ILE 155 Cb 0.27 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 3n3r h ILE 155 CO -0.01 0.38 0.33 0.50 0.00 0.00 0.00 178.15 179.35 3n3r h LYS 156 N 0.31 0.59 -0.87 2.37 1.63 -0.44 -2.04 116.57 118.12 3n3r h LYS 156 Ca 0.06 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3n3r h LYS 156 Cb 0.64 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 3n3r h LYS 156 CO 0.04 0.39 0.55 0.37 -3.45 0.00 0.00 179.45 177.36 3n3r h GLN 157 N 0.61 1.15 -0.15 1.90 4.15 -0.37 0.22 115.11 122.62 3n3r h GLN 157 Ca 0.28 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 3n3r h GLN 157 Cb 0.19 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3n3r h GLN 157 CO -0.18 0.78 -0.33 -0.22 -1.93 0.00 0.00 178.83 176.95 3n3r h LYS 158 N 1.18 0.31 0.00 1.69 3.64 -0.53 -3.21 116.57 119.64 3n3r h LYS 158 Ca 0.31 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3n3r h LYS 158 Cb -0.10 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3n3r h LYS 158 CO -0.06 0.61 -1.41 0.66 -2.27 0.00 0.00 179.45 176.97 3n3r n TYR 159 N -4.09 0.00 -3.24 1.91 4.02 -0.83 -5.03 117.16 109.90 3n3r n TYR 159 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3n3r n TYR 159 Cb 0.43 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3n3r n TYR 159 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n3r n GLY 160 N 1.42 3.15 0.02 2.72 0.00 0.77 -2.70 105.19 110.57 3n3r n GLY 160 Ca -0.00 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.80 3n3r n GLY 160 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n3r n ARG 161 N 14.00 0.03 0.04 1.61 1.85 -1.26 -2.70 116.66 130.23 3n3r n ARG 161 Ca 0.00 0.35 0.13 0.00 -1.00 0.00 0.00 57.85 57.34 3n3r n ARG 161 Cb 0.00 -1.56 0.53 0.00 -1.05 0.00 0.00 32.46 30.38 3n3r n ARG 161 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3n3r n ALA 162 N -1.54 2.29 -3.78 2.89 0.00 -1.10 -4.46 120.51 114.80 3n3r n ALA 162 Ca 0.02 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 3n3r n ALA 162 Cb 0.12 -1.46 -0.17 0.00 0.00 0.00 0.00 19.45 17.94 3n3r n ALA 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3n3r s ILE 163 N -3.04 0.51 0.66 0.00 2.07 -1.10 -3.94 121.20 116.35 3n3r s ILE 163 Ca 0.12 -0.08 -0.15 0.00 -1.41 0.00 0.00 60.65 59.14 3n3r s ILE 163 Cb 0.16 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 42.04 3n3r s ILE 163 CO 0.55 0.18 1.10 -0.94 -1.91 0.00 0.00 174.94 173.92 3n3r s SER 164 N 1.91 5.18 0.29 4.50 1.04 -1.26 -4.77 113.70 120.59 3n3r s SER 164 Ca 0.04 1.94 0.02 0.00 0.48 0.00 0.00 55.95 58.43 3n3r s SER 164 Cb -0.13 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.03 3n3r s SER 164 CO -0.06 -1.58 1.84 -0.50 0.98 0.00 0.00 173.24 173.92 3n3r h TRP 165 N -0.03 1.10 -0.53 5.02 4.06 -1.93 0.73 115.95 124.37 3n3r h TRP 165 Ca -0.46 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.49 3n3r h TRP 165 Cb 1.24 -0.35 -0.02 0.00 -1.00 0.00 0.00 29.16 29.03 3n3r h TRP 165 CO 0.56 0.44 0.20 0.00 -3.56 0.00 0.00 178.44 176.08 3n3r h ALA 166 N 1.55 0.68 -0.32 1.49 0.00 -1.87 -0.10 119.26 120.69 3n3r h ALA 166 Ca 0.49 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 3n3r h ALA 166 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3n3r h ALA 166 CO -0.25 0.30 -0.40 -0.44 0.00 0.00 0.00 179.25 178.46 3n3r h ASP 167 N 0.71 0.82 -0.48 0.00 3.32 -1.65 -3.20 116.42 115.94 3n3r h ASP 167 Ca 0.17 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 3n3r h ASP 167 Cb 0.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3n3r h ASP 167 CO -0.01 1.12 0.12 0.25 -1.72 0.00 0.00 179.24 179.00 3n3r h LEU 168 N 0.63 0.78 -0.78 1.55 5.85 -0.30 0.45 115.31 123.49 3n3r h LEU 168 Ca 0.05 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3n3r h LEU 168 Cb 0.96 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3n3r h LEU 168 CO 0.09 0.77 0.38 -0.07 -0.34 0.00 0.00 178.44 179.27 3n3r h LEU 169 N 0.80 1.02 -0.06 2.25 3.38 -1.02 0.44 115.31 122.11 3n3r h LEU 169 Ca 0.17 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 3n3r h LEU 169 Cb 0.31 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3n3r h LEU 169 CO 0.00 0.86 -0.72 0.40 0.09 0.00 0.00 178.44 179.07 3n3r h ILE 170 N 1.10 1.34 -0.94 1.22 1.08 -1.51 -2.71 117.51 117.09 3n3r h ILE 170 Ca 0.27 -2.02 0.01 0.00 -0.39 0.00 0.00 64.86 62.72 3n3r h ILE 170 Cb 0.11 2.30 -0.05 0.00 -3.07 0.00 0.00 36.82 36.11 3n3r h ILE 170 CO -0.04 0.62 0.62 0.25 -0.69 0.00 0.00 178.15 178.91 3n3r h LEU 171 N 0.22 1.08 -0.78 1.44 5.85 -0.71 -0.78 115.31 121.63 3n3r h LEU 171 Ca -0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3n3r h LEU 171 Cb 1.38 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3n3r h LEU 171 CO 0.15 0.79 0.44 0.74 -0.34 0.00 0.00 178.44 180.21 3n3r h THR 172 N 1.28 1.23 -0.74 1.05 2.02 -0.87 0.65 112.91 117.52 3n3r h THR 172 Ca 0.34 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3n3r h THR 172 Cb -0.14 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.40 3n3r h THR 172 CO -0.07 0.25 0.47 1.23 0.37 0.00 0.00 175.52 177.77 3n3r h GLY 173 N 1.08 1.07 1.00 2.16 0.00 -0.98 0.16 103.07 107.57 3n3r h GLY 173 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3n3r h GLY 173 CO -0.05 0.30 0.12 3.43 0.00 0.00 0.00 176.54 180.34 3n3r h ASN 174 N 0.91 0.20 -0.42 0.19 4.21 -0.66 -1.87 115.58 118.15 3n3r h ASN 174 Ca 0.30 -0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.72 3n3r h ASN 174 Cb 0.02 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 3n3r h ASN 174 CO -0.11 0.15 -0.01 0.58 -1.29 0.00 0.00 177.43 176.75 3n3r h VAL 175 N 0.24 1.25 -0.34 2.81 2.07 -0.48 -0.43 116.25 121.36 3n3r h VAL 175 Ca 0.07 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3n3r h VAL 175 Cb -0.03 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3n3r h VAL 175 CO -0.02 0.37 0.09 0.00 0.02 0.00 0.00 177.57 178.03 3n3r h ALA 176 N 1.21 0.38 -0.23 1.67 0.00 -0.46 0.25 119.26 122.08 3n3r h ALA 176 Ca 0.15 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3n3r h ALA 176 Cb 0.48 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3n3r h ALA 176 CO 0.02 -0.32 0.06 -0.07 0.00 0.00 0.00 179.25 178.95 3n3r h LEU 177 N 0.21 0.05 -0.97 0.00 3.38 -0.93 -1.65 115.31 115.40 3n3r h LEU 177 Ca 0.16 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3n3r h LEU 177 Cb 0.17 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3n3r h LEU 177 CO -0.20 0.06 0.30 -0.33 0.09 0.00 0.00 178.44 178.36 3n3r h GLU 178 N 0.16 1.04 -0.97 1.13 5.08 -0.75 -0.14 114.58 120.13 3n3r h GLU 178 Ca 0.10 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3n3r h GLU 178 Cb 0.09 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3n3r h GLU 178 CO -0.12 0.84 0.64 1.03 -1.00 0.00 0.00 179.01 180.39 3n3r h SER 179 N 1.03 1.10 -0.37 1.42 0.87 -0.27 -1.80 113.55 115.53 3n3r h SER 179 Ca 0.24 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3n3r h SER 179 Cb 0.17 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3n3r h SER 179 CO -0.02 0.78 0.00 0.23 -0.53 0.00 0.00 176.83 177.28 3n3r n MET 180 N -4.41 2.32 -0.10 2.24 2.81 -0.64 -4.91 117.12 114.44 3n3r n MET 180 Ca 0.12 -1.51 0.00 0.00 -1.81 0.00 0.00 57.70 54.50 3n3r n MET 180 Cb 0.05 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 3n3r n MET 180 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3r n GLY 181 N 0.85 0.95 3.44 3.03 0.00 -0.68 0.02 105.19 112.81 3n3r n GLY 181 Ca 0.14 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3n3r n GLY 181 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n3r s PHE 182 N -2.00 3.01 -0.23 1.61 5.36 -0.12 -4.80 117.98 120.80 3n3r s PHE 182 Ca 0.00 -0.47 -0.25 0.00 -0.96 0.00 0.00 56.93 55.25 3n3r s PHE 182 Cb 0.00 -2.03 -0.01 0.00 -0.34 0.00 0.00 43.02 40.64 3n3r s PHE 182 CO 0.00 -0.21 0.84 0.21 -1.46 0.00 0.00 175.22 174.60 3n3r s LYS 183 N 0.80 4.20 0.61 10.12 2.20 -1.26 -3.10 119.74 133.31 3n3r s LYS 183 Ca -0.01 0.97 -0.09 0.00 -0.36 0.00 0.00 55.97 56.49 3n3r s LYS 183 Cb -0.14 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.53 3n3r s LYS 183 CO 0.02 -0.49 0.97 0.95 -0.36 0.00 0.00 175.35 176.44 3n3r s THR 184 N 2.75 4.12 -0.86 3.43 -4.23 -1.26 -4.87 115.64 114.71 3n3r s THR 184 Ca 0.36 0.41 0.27 0.00 -1.18 0.00 0.00 61.69 61.55 3n3r s THR 184 Cb -0.15 -3.65 0.26 0.00 1.34 0.00 0.00 72.50 70.30 3n3r s THR 184 CO 0.08 -0.76 1.84 0.33 -0.54 0.00 0.00 174.62 175.57 3n3r n PHE 185 N -2.69 0.47 -0.13 3.99 7.35 -1.26 -5.02 117.46 120.17 3n3r n PHE 185 Ca 0.05 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 3n3r n PHE 185 Cb 0.56 -0.72 0.00 0.00 0.35 0.00 0.00 39.48 39.67 3n3r n PHE 185 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3n3r n GLY 186 N 1.40 0.83 3.61 7.13 0.00 -1.26 -4.57 105.19 112.33 3n3r n GLY 186 Ca 0.06 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.05 3n3r n GLY 186 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n3r s PHE 187 N -1.60 -0.71 0.02 1.61 5.36 -0.44 -4.93 117.98 117.27 3n3r s PHE 187 Ca 0.00 1.66 0.06 0.00 -0.96 0.00 0.00 56.93 57.69 3n3r s PHE 187 Cb 0.00 0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 42.97 3n3r s PHE 187 CO 0.00 -0.40 -0.18 0.00 -1.46 0.00 0.00 175.22 173.18 3n3r s ALA 188 N 0.06 1.53 0.70 11.12 0.00 -1.26 -2.75 121.76 131.16 3n3r s ALA 188 Ca -0.01 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3n3r s ALA 188 Cb -0.04 -0.33 0.12 0.00 0.00 0.00 0.00 23.12 22.87 3n3r s ALA 188 CO 0.02 0.35 0.96 0.20 0.00 0.00 0.00 175.76 177.29 3n3r s GLY 189 N -0.81 1.76 0.00 0.00 0.00 -0.20 -4.80 107.32 103.26 3n3r s GLY 189 Ca 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.99 3n3r s GLY 189 CO 0.01 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.47 3n3r n GLY 190 N -2.74 0.63 3.56 0.20 0.00 -1.26 -1.41 105.19 104.17 3n3r n GLY 190 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3n3r n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3r s ARG 191 N 0.00 3.22 0.51 1.61 0.52 -1.26 -4.93 118.95 118.61 3n3r s ARG 191 Ca 0.00 -0.05 -0.21 0.00 -0.52 0.00 0.00 55.73 54.96 3n3r s ARG 191 Cb 0.00 -4.16 -0.07 0.00 0.52 0.00 0.00 34.95 31.24 3n3r s ARG 191 CO 0.00 -2.09 1.14 0.00 0.02 0.00 0.00 175.30 174.37 3n3r s ALA 192 N 5.84 2.81 0.68 2.13 0.00 -1.26 -4.12 121.76 127.85 3n3r s ALA 192 Ca 0.40 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 3n3r s ALA 192 Cb -0.08 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.68 3n3r s ALA 192 CO 0.18 -0.69 1.07 -0.51 0.00 0.00 0.00 175.76 175.81 3n3r s ASP 193 N -1.63 5.25 0.44 0.00 1.01 -1.26 -4.64 116.67 115.84 3n3r s ASP 193 Ca 0.69 1.75 0.06 0.00 0.71 0.00 0.00 52.55 55.76 3n3r s ASP 193 Cb -0.25 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.11 3n3r s ASP 193 CO 0.29 -1.53 0.05 0.42 0.21 0.00 0.00 175.17 174.61 3n3r s THR 194 N -2.80 1.86 0.00 -1.27 -4.23 -1.24 -5.08 115.64 102.88 3n3r s THR 194 Ca 0.61 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3n3r s THR 194 Cb -0.16 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3n3r s THR 194 CO 0.49 0.00 0.36 0.79 -0.54 0.00 0.00 174.62 175.72 3n3r n TRP 195 N -1.10 0.00 -3.82 3.99 7.02 -1.26 -5.04 117.44 117.22 3n3r n TRP 195 Ca -0.07 -0.06 -0.09 0.00 -1.02 0.00 0.00 57.50 56.25 3n3r n TRP 195 Cb 0.67 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.50 3n3r n TRP 195 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3n3r s GLU 196 N -0.13 1.33 0.48 -0.99 -1.05 -1.26 -4.98 118.70 112.10 3n3r s GLU 196 Ca 0.00 -0.98 -0.24 0.00 -0.15 0.00 0.00 54.97 53.60 3n3r s GLU 196 Cb 0.00 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 34.10 3n3r s GLU 196 CO 0.00 -0.55 1.38 -2.14 0.95 0.00 0.00 175.26 174.90 3n3r s PRO 197 N -3.91 3.52 0.58 -4.83 0.02 -1.26 -4.98 135.00 124.14 3n3r s PRO 197 Ca 0.12 2.30 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 3n3r s PRO 197 Cb 0.00 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.98 3n3r s PRO 197 CO -0.01 -0.91 0.95 0.00 -0.33 0.00 0.00 177.00 176.70 3n3r s ALA 198 N -1.26 3.19 -0.63 -1.55 0.00 -1.26 -4.98 121.76 115.28 3n3r s ALA 198 Ca 0.64 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 3n3r s ALA 198 Cb -0.41 -2.89 0.16 0.00 0.00 0.00 0.00 23.12 19.97 3n3r s ALA 198 CO 0.51 -0.62 0.57 -0.51 0.00 0.00 0.00 175.76 175.72 3n3r s ASP 199 N -4.18 6.33 -0.03 0.00 1.01 -1.26 -4.98 116.67 113.56 3n3r s ASP 199 Ca 0.53 -2.09 0.06 0.00 0.71 0.00 0.00 52.55 51.76 3n3r s ASP 199 Cb -0.11 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 3n3r s ASP 199 CO 0.50 -0.75 -0.22 -0.69 0.21 0.00 0.00 175.17 174.22 3n3r s VAL 200 N 1.12 1.76 -0.40 -1.27 1.01 -1.26 -5.10 120.40 116.27 3n3r s VAL 200 Ca 0.08 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 3n3r s VAL 200 Cb -0.23 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.68 3n3r s VAL 200 CO -0.01 0.50 1.19 -0.47 0.00 0.00 0.00 175.10 176.31 3n3r s TYR 201 N -0.32 2.81 -2.08 5.22 5.04 -1.26 -4.86 117.35 121.91 3n3r s TYR 201 Ca 0.03 0.85 0.20 0.00 -2.44 0.00 0.00 57.07 55.71 3n3r s TYR 201 Cb -0.10 -4.15 0.36 0.00 0.35 0.00 0.00 41.96 38.41 3n3r s TYR 201 CO 0.01 -1.33 1.30 0.91 -1.34 0.00 0.00 175.55 175.10 3n3r n TRP 202 N 7.72 0.42 0.00 4.97 7.02 -1.26 -4.90 117.44 131.41 3n3r n TRP 202 Ca 0.13 -0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 3n3r n TRP 202 Cb 0.48 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 3n3r n TRP 202 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3n3r n GLY 203 N 1.23 2.89 0.47 6.99 0.00 -1.26 -4.86 105.19 110.64 3n3r n GLY 203 Ca 0.16 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.29 3n3r n GLY 203 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3n3r n SER 204 N 0.00 1.93 -4.75 1.61 7.64 -1.26 -5.02 113.62 113.77 3n3r n SER 204 Ca 0.00 -1.46 -0.36 0.00 1.01 0.00 0.00 58.87 58.06 3n3r n SER 204 Cb 0.00 0.10 0.05 0.00 -1.01 0.00 0.00 64.21 63.34 3n3r n SER 204 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3n3r s GLU 205 N -1.18 2.81 -0.03 1.43 8.01 -1.26 -4.87 118.70 123.62 3n3r s GLU 205 Ca 0.14 1.84 0.09 0.00 0.01 0.00 0.00 54.97 57.05 3n3r s GLU 205 Cb 0.11 -1.91 0.25 0.00 -4.31 0.00 0.00 34.13 28.27 3n3r s GLU 205 CO 0.19 -1.33 1.20 1.63 0.01 0.00 0.00 175.26 176.96 3n3r n LYS 206 N -1.79 2.83 -4.02 1.61 4.76 -1.26 -4.90 118.16 115.40 3n3r n LYS 206 Ca 0.14 -2.02 -0.23 0.00 -2.87 0.00 0.00 58.31 53.33 3n3r n LYS 206 Cb 0.49 -1.28 -0.17 0.00 -1.84 0.00 0.00 35.03 32.24 3n3r n LYS 206 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3n3r s ILE 207 N -1.31 0.68 0.29 -0.18 1.01 -1.26 -5.12 121.20 115.31 3n3r s ILE 207 Ca 0.20 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 3n3r s ILE 207 Cb 0.12 -0.73 -0.13 0.00 0.01 0.00 0.00 42.46 41.72 3n3r s ILE 207 CO 0.10 0.29 1.22 0.79 0.00 0.00 0.00 174.94 177.34 3n3r n TRP 208 N 4.59 1.86 -1.14 3.97 7.02 -1.26 -2.29 117.44 130.20 3n3r n TRP 208 Ca -0.16 0.58 -0.05 0.00 -1.02 0.00 0.00 57.50 56.85 3n3r n TRP 208 Cb 0.50 -2.36 -0.02 0.00 -2.42 0.00 0.00 31.31 27.01 3n3r n TRP 208 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3n3r n LEU 209 N 1.36 0.02 -4.68 -0.99 4.77 0.48 -4.91 117.00 113.06 3n3r n LEU 209 Ca 0.09 0.12 -0.44 0.00 -0.03 0.00 0.00 56.01 55.75 3n3r n LEU 209 Cb 0.33 -1.78 -0.02 0.00 -2.33 0.00 0.00 43.42 39.62 3n3r n LEU 209 CO 0.62 -0.62 0.92 1.21 -1.33 0.00 0.00 177.39 178.19 3n3r n GLU 210 N -1.38 2.03 -1.49 3.23 2.13 -0.97 -4.80 120.64 119.39 3n3r n GLU 210 Ca -0.05 0.72 -0.29 0.00 0.66 0.00 0.00 57.16 58.20 3n3r n GLU 210 Cb 0.34 -2.31 0.13 0.00 0.27 0.00 0.00 31.44 29.87 3n3r n GLU 210 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3n3r s LEU 211 N -0.43 2.13 0.90 4.31 1.43 -1.26 -4.55 118.68 121.20 3n3r s LEU 211 Ca 0.61 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.68 3n3r s LEU 211 Cb -0.61 -3.48 0.13 0.00 0.03 0.00 0.00 46.19 42.26 3n3r s LEU 211 CO 0.57 -2.47 1.09 -0.94 0.23 0.00 0.00 176.35 174.84 3n3r s SER 212 N -3.92 3.48 0.00 2.29 1.04 -1.26 -4.06 113.70 111.27 3n3r s SER 212 Ca 0.63 1.39 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3n3r s SER 212 Cb -0.15 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3n3r s SER 212 CO 0.54 -2.62 0.00 0.61 0.98 0.00 0.00 173.24 172.75 3n3r n GLY 213 N -1.30 0.77 2.15 7.32 0.00 -1.26 -5.05 105.19 107.81 3n3r n GLY 213 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3n3r n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3r n GLY 214 N -2.28 -1.10 0.30 -0.02 0.00 -1.26 -4.86 105.19 95.97 3n3r n GLY 214 Ca 0.00 -1.73 0.18 0.00 0.00 0.00 0.00 46.02 44.47 3n3r n GLY 214 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n3r h PRO 215 N 0.00 0.00 -0.57 1.61 0.13 -1.96 -1.93 132.00 129.28 3n3r h PRO 215 Ca -0.23 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.48 3n3r h PRO 215 Cb 0.66 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.47 3n3r h PRO 215 CO 0.17 0.03 -0.73 0.09 -0.23 0.00 0.00 178.00 177.34 3n3r n ASN 216 N -3.39 4.15 -4.73 1.44 3.02 -1.26 -5.08 115.26 109.40 3n3r n ASN 216 Ca -0.02 -3.79 -0.42 0.00 -0.03 0.00 0.00 54.58 50.32 3n3r n ASN 216 Cb 0.16 -0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 3n3r n ASN 216 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3n3r n SER 217 N -0.81 3.88 -0.25 6.41 2.88 -0.73 -4.17 113.62 120.82 3n3r n SER 217 Ca 0.38 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 59.14 3n3r n SER 217 Cb 0.90 -1.58 0.50 0.00 -0.75 0.00 0.00 64.21 63.28 3n3r n SER 217 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3n3r n ARG 218 N 2.75 1.32 -4.79 -1.46 1.85 -1.26 -4.84 116.66 110.23 3n3r n ARG 218 Ca 0.11 -0.49 -0.31 0.00 -1.00 0.00 0.00 57.85 56.17 3n3r n ARG 218 Cb 0.36 -1.35 -0.13 0.00 -1.05 0.00 0.00 32.46 30.28 3n3r n ARG 218 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3n3r s TYR 219 N -1.92 2.49 0.19 2.89 1.51 -1.26 -0.84 117.35 120.41 3n3r s TYR 219 Ca 0.31 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 56.00 3n3r s TYR 219 Cb 0.15 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.52 3n3r s TYR 219 CO 0.25 0.19 0.25 -1.54 -1.11 0.00 0.00 175.55 173.59 3n3r s SER 220 N -1.27 0.08 0.68 2.29 1.04 -0.48 -4.71 113.70 111.33 3n3r s SER 220 Ca 0.13 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3n3r s SER 220 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3n3r s SER 220 CO 0.04 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3n3r n GLY 221 N -0.25 1.12 3.11 7.32 0.00 -1.26 -0.80 105.19 114.43 3n3r n GLY 221 Ca -0.03 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3n3r n GLY 221 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3n3r n ASP 222 N -0.45 4.97 -3.85 1.61 4.64 -1.26 -4.48 116.55 117.73 3n3r n ASP 222 Ca 0.00 -3.02 -0.24 0.00 -1.38 0.00 0.00 54.79 50.15 3n3r n ASP 222 Cb 0.00 -1.56 0.01 0.00 -1.04 0.00 0.00 41.12 38.53 3n3r n ASP 222 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3n3r n ARG 223 N 5.14 -4.17 -3.29 -0.67 0.63 -1.21 -4.93 116.66 108.17 3n3r n ARG 223 Ca 0.41 0.51 -0.40 0.00 -0.92 0.00 0.00 57.85 57.46 3n3r n ARG 223 Cb 0.40 -4.91 -0.08 0.00 0.45 0.00 0.00 32.46 28.32 3n3r n ARG 223 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3n3r s GLN 224 N -6.32 4.06 0.06 -0.14 -1.52 0.02 -4.91 119.66 110.92 3n3r s GLN 224 Ca 0.08 0.24 -0.24 0.00 -1.95 0.00 0.00 55.36 53.49 3n3r s GLN 224 Cb -0.04 -3.65 -0.06 0.00 -0.22 0.00 0.00 33.01 29.04 3n3r s GLN 224 CO 0.85 -0.31 0.72 -1.17 -0.25 0.00 0.00 175.29 175.14 3n3r s LEU 225 N 2.18 4.48 0.10 2.90 2.96 -1.26 -1.38 118.68 128.66 3n3r s LEU 225 Ca 0.19 1.43 -0.31 0.00 -0.22 0.00 0.00 54.13 55.22 3n3r s LEU 225 Cb -0.16 -3.17 -0.09 0.00 0.50 0.00 0.00 46.19 43.28 3n3r s LEU 225 CO 0.09 0.09 1.57 -1.83 -1.32 0.00 0.00 176.35 174.95 3n3r s GLU 226 N -0.39 4.23 0.40 1.98 -1.05 -0.02 -4.90 118.70 118.95 3n3r s GLU 226 Ca 0.36 2.28 -0.25 0.00 -0.15 0.00 0.00 54.97 57.20 3n3r s GLU 226 Cb -0.21 -3.39 -0.08 0.00 -0.44 0.00 0.00 34.13 30.01 3n3r s GLU 226 CO 0.22 -0.63 1.20 -0.80 0.95 0.00 0.00 175.26 176.20 3n3r s ASN 227 N 1.74 6.46 -0.26 0.83 0.02 -1.26 -0.92 114.94 121.54 3n3r s ASN 227 Ca 0.70 2.42 0.10 0.00 -1.02 0.00 0.00 52.86 55.06 3n3r s ASN 227 Cb -0.40 -2.62 0.68 0.00 0.02 0.00 0.00 41.25 38.93 3n3r s ASN 227 CO 0.31 -0.72 1.65 -0.81 0.02 0.00 0.00 177.10 177.55 3n3r n PRO 228 N 0.08 3.80 -2.60 -0.60 -0.04 -1.26 -5.13 135.00 129.25 3n3r n PRO 228 Ca 0.04 -2.73 -0.34 0.00 -0.04 0.00 0.00 63.50 60.44 3n3r n PRO 228 Cb 0.46 -2.14 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 3n3r n PRO 228 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3n3r s LEU 229 N -2.54 3.86 -0.02 1.53 1.43 -0.10 -4.69 118.68 118.15 3n3r s LEU 229 Ca 0.48 1.89 0.10 0.00 -1.03 0.00 0.00 54.13 55.57 3n3r s LEU 229 Cb 0.38 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 42.22 3n3r s LEU 229 CO 0.13 -0.70 1.08 0.00 0.23 0.00 0.00 176.35 177.08 3n3r n ALA 230 N -0.90 2.21 -2.49 4.21 0.00 -1.26 -4.82 120.51 117.47 3n3r n ALA 230 Ca 0.09 -1.67 -0.10 0.00 0.00 0.00 0.00 53.44 51.76 3n3r n ALA 230 Cb 0.53 -0.56 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 3n3r n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3r s ALA 231 N -0.41 0.60 -0.24 0.00 0.00 -1.26 -4.64 121.76 115.80 3n3r s ALA 231 Ca 0.15 -1.02 0.19 0.00 0.00 0.00 0.00 51.96 51.28 3n3r s ALA 231 Cb 0.16 0.15 0.08 0.00 0.00 0.00 0.00 23.12 23.52 3n3r s ALA 231 CO -0.05 -0.19 1.28 -0.39 0.00 0.00 0.00 175.76 176.40 3n3r h VAL 232 N 3.73 0.38 -3.55 0.00 -1.51 -1.36 -3.46 116.25 110.48 3n3r h VAL 232 Ca -0.35 -1.60 -0.15 0.00 -1.23 0.00 0.00 66.70 63.38 3n3r h VAL 232 Cb 1.18 2.04 -0.21 0.00 -2.13 0.00 0.00 31.29 32.17 3n3r h VAL 232 CO 0.54 0.22 -0.51 -1.10 -1.23 0.00 0.00 177.57 175.49 3n3r s GLN 233 N -3.10 0.47 -0.07 5.19 -0.21 -1.26 -4.83 119.66 115.84 3n3r s GLN 233 Ca 0.02 -0.42 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 3n3r s GLN 233 Cb 0.08 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 34.23 3n3r s GLN 233 CO 0.75 -0.11 1.64 1.41 -2.12 0.00 0.00 175.29 176.86 3n3r s MET 234 N -1.41 4.14 0.00 2.91 -2.45 -1.26 -2.09 119.30 119.14 3n3r s MET 234 Ca -0.15 2.12 0.00 0.00 -1.25 0.00 0.00 55.69 56.41 3n3r s MET 234 Cb -0.08 -3.98 0.00 0.00 1.25 0.00 0.00 34.83 32.02 3n3r s MET 234 CO 0.01 -0.89 0.00 0.41 1.05 0.00 0.00 175.02 175.60 3n3r n GLY 235 N 4.17 0.53 3.94 2.11 0.00 -1.26 -0.38 105.19 114.29 3n3r n GLY 235 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3n3r n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3r s LEU 236 N 0.00 4.34 -0.09 0.99 1.43 -0.89 -1.94 118.68 122.51 3n3r s LEU 236 Ca 0.00 0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 3n3r s LEU 236 Cb 0.00 -2.91 -0.17 0.00 0.03 0.00 0.00 46.19 43.14 3n3r s LEU 236 CO 0.00 0.07 0.69 0.40 0.23 0.00 0.00 176.35 177.74 3n3r h ILE 237 N 1.71 1.06 0.00 -0.59 1.08 -1.91 -3.46 117.51 115.41 3n3r h ILE 237 Ca -0.48 -1.56 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 3n3r h ILE 237 Cb 1.19 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 3n3r h ILE 237 CO 0.70 0.33 0.00 -1.22 -0.69 0.00 0.00 178.15 177.26 3n3r n TYR 238 N -4.78 0.00 -4.59 1.37 4.02 -1.26 -4.53 117.16 107.39 3n3r n TYR 238 Ca -0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.55 3n3r n TYR 238 Cb 0.29 0.17 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 3n3r n TYR 238 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3n3r s VAL 239 N -0.57 1.51 -0.17 -0.72 -7.23 -1.26 -0.95 120.40 111.01 3n3r s VAL 239 Ca 0.00 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.94 3n3r s VAL 239 Cb 0.00 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 3n3r s VAL 239 CO 0.00 0.00 0.73 0.21 -0.31 0.00 0.00 175.10 175.73 3n3r s ASN 240 N -3.67 6.84 0.23 4.85 3.84 -1.26 -4.94 114.94 120.83 3n3r s ASN 240 Ca 0.29 1.03 0.21 0.00 0.21 0.00 0.00 52.86 54.60 3n3r s ASN 240 Cb 0.07 -2.40 0.93 0.00 -0.55 0.00 0.00 41.25 39.31 3n3r s ASN 240 CO 0.14 -0.31 1.65 -0.81 -2.79 0.00 0.00 177.10 174.99 3n3r n PRO 241 N 4.95 0.16 0.11 0.43 -0.04 -1.26 -1.75 135.00 137.60 3n3r n PRO 241 Ca 0.01 0.44 0.04 0.00 -0.04 0.00 0.00 63.50 63.94 3n3r n PRO 241 Cb 0.49 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3n3r n PRO 241 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3n3r h GLU 242 N 0.00 0.00 0.00 0.54 5.08 -1.92 -3.07 114.58 115.21 3n3r h GLU 242 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n3r h GLU 242 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3n3r h GLU 242 CO 0.00 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.75 3n3r n GLY 243 N 1.26 2.18 3.69 -3.84 0.00 -0.72 -3.35 105.19 104.42 3n3r n GLY 243 Ca -0.01 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 3n3r n GLY 243 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n3r s PRO 244 N -1.66 4.18 -0.91 1.61 0.02 -1.17 -0.82 135.00 136.24 3n3r s PRO 244 Ca 0.00 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 3n3r s PRO 244 Cb 0.00 -3.64 0.02 0.00 0.02 0.00 0.00 34.50 30.89 3n3r s PRO 244 CO 0.00 -0.77 0.11 -0.25 -0.33 0.00 0.00 177.00 175.76 3n3r n ASP 245 N 5.78 -3.29 0.00 2.53 8.00 -1.26 -0.72 116.55 127.60 3n3r n ASP 245 Ca 0.16 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3n3r n ASP 245 Cb 0.40 -2.80 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 3n3r n ASP 245 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n3r n GLY 246 N -0.83 0.64 3.63 0.44 0.00 -0.00 -5.02 105.19 104.05 3n3r n GLY 246 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3n3r n GLY 246 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3n3r s ASN 247 N -2.09 6.42 -1.52 1.61 2.47 0.10 -4.71 114.94 117.22 3n3r s ASN 247 Ca 0.00 0.50 -0.10 0.00 0.42 0.00 0.00 52.86 53.68 3n3r s ASN 247 Cb 0.00 -2.26 -0.07 0.00 -1.45 0.00 0.00 41.25 37.47 3n3r s ASN 247 CO 0.00 -0.20 2.79 -0.81 -3.72 0.00 0.00 177.10 175.16 3n3r n PRO 248 N 5.13 3.42 -3.76 0.43 -0.04 -1.21 -3.05 135.00 135.92 3n3r n PRO 248 Ca -0.06 -2.15 -0.37 0.00 -0.04 0.00 0.00 63.50 60.88 3n3r n PRO 248 Cb 0.50 -2.81 -0.12 0.00 -0.04 0.00 0.00 33.50 31.03 3n3r n PRO 248 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3n3r s ASP 249 N 2.44 5.28 0.53 3.54 2.15 -1.26 -4.99 116.67 124.35 3n3r s ASP 249 Ca 0.64 -1.50 0.17 0.00 0.43 0.00 0.00 52.55 52.30 3n3r s ASP 249 Cb 0.17 -1.85 1.32 0.00 -0.30 0.00 0.00 42.92 42.26 3n3r s ASP 249 CO -0.06 -0.42 2.16 -0.65 -0.17 0.00 0.00 175.17 176.03 3n3r h PRO 250 N 8.16 0.00 -0.13 4.34 0.11 -1.89 0.32 132.00 142.92 3n3r h PRO 250 Ca -0.20 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.82 3n3r h PRO 250 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3n3r h PRO 250 CO 0.65 0.00 -0.27 0.28 -0.21 0.00 0.00 178.00 178.44 3n3r h VAL 251 N 0.00 1.37 -0.19 3.15 2.07 -1.91 -1.58 116.25 119.15 3n3r h VAL 251 Ca 0.00 -1.55 -0.13 0.00 0.82 0.00 0.00 66.70 65.84 3n3r h VAL 251 Cb 0.01 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3n3r h VAL 251 CO -0.00 0.46 -0.44 0.00 0.02 0.00 0.00 177.57 177.61 3n3r h ALA 252 N 0.54 0.88 -0.98 1.67 0.00 -1.92 -2.63 119.26 116.82 3n3r h ALA 252 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.50 3n3r h ALA 252 Cb 0.87 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3n3r h ALA 252 CO 0.06 0.64 0.64 0.00 0.00 0.00 0.00 179.25 180.60 3n3r h ALA 253 N 1.14 1.35 -0.14 0.00 0.00 -0.86 -1.85 119.26 118.91 3n3r h ALA 253 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3n3r h ALA 253 Cb 0.92 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3n3r h ALA 253 CO 0.08 0.56 0.03 0.00 0.00 0.00 0.00 179.25 179.91 3n3r h ALA 254 N 1.42 1.79 -0.60 0.00 0.00 -0.91 0.41 119.26 121.38 3n3r h ALA 254 Ca 0.38 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3n3r h ALA 254 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3n3r h ALA 254 CO -0.11 0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.36 3n3r h ARG 255 N 0.19 1.02 -0.46 0.00 3.08 -1.26 0.04 114.38 117.00 3n3r h ARG 255 Ca 0.05 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 3n3r h ARG 255 Cb 0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3n3r h ARG 255 CO -0.00 0.98 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.41 3n3r h ASP 256 N 0.92 0.82 -0.17 7.04 5.19 -1.15 -1.21 116.42 127.86 3n3r h ASP 256 Ca 0.18 -0.32 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 3n3r h ASP 256 Cb 0.48 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 3n3r h ASP 256 CO 0.02 0.94 0.05 0.40 -3.12 0.00 0.00 179.24 177.54 3n3r h ILE 257 N 0.68 0.96 -0.46 0.35 2.04 -0.73 -0.04 117.51 120.31 3n3r h ILE 257 Ca 0.13 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3n3r h ILE 257 Cb 0.54 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3n3r h ILE 257 CO 0.03 0.02 0.22 -0.09 0.00 0.00 0.00 178.15 178.33 3n3r h ARG 258 N 0.13 0.66 0.18 2.37 2.43 -0.86 0.35 114.38 119.64 3n3r h ARG 258 Ca 0.07 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3n3r h ARG 258 Cb 0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3n3r h ARG 258 CO -0.08 0.56 -0.09 0.22 -1.51 0.00 0.00 179.97 179.08 3n3r h ASP 259 N 0.59 -0.21 -0.44 -3.80 3.58 -1.09 0.15 116.42 115.21 3n3r h ASP 259 Ca 0.16 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 3n3r h ASP 259 Cb 0.12 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3n3r h ASP 259 CO -0.02 -0.00 -0.26 0.71 -2.88 0.00 0.00 179.24 176.78 3n3r h THR 260 N -0.41 1.27 -0.78 2.25 1.35 -0.90 -1.56 112.91 114.14 3n3r h THR 260 Ca -0.02 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.37 3n3r h THR 260 Cb 0.31 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 3n3r h THR 260 CO 0.04 0.49 0.36 -0.26 -0.25 0.00 0.00 175.52 175.90 3n3r h PHE 261 N 0.80 1.13 -0.21 4.73 -1.00 -0.92 -1.46 116.94 120.00 3n3r h PHE 261 Ca 0.09 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 3n3r h PHE 261 Cb 0.85 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 3n3r h PHE 261 CO 0.06 0.82 -0.00 0.00 -1.61 0.00 0.00 178.31 177.58 3n3r h ALA 262 N 1.28 1.60 0.00 2.45 0.00 -0.69 0.68 119.26 124.59 3n3r h ALA 262 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3n3r h ALA 262 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3n3r h ALA 262 CO -0.03 0.30 0.00 0.54 0.00 0.00 0.00 179.25 180.05 3n3r n ARG 263 N -4.36 0.73 -0.22 0.00 1.74 -0.61 -1.61 116.66 112.33 3n3r n ARG 263 Ca 0.00 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.18 3n3r n ARG 263 Cb 0.19 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.32 3n3r n ARG 263 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3n3r n MET 264 N -1.05 2.03 -1.26 5.56 2.81 0.08 -0.69 117.12 124.61 3n3r n MET 264 Ca 0.18 -2.65 -0.05 0.00 -1.81 0.00 0.00 57.70 53.38 3n3r n MET 264 Cb 0.11 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 30.98 3n3r n MET 264 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3n3r n ALA 265 N -1.00 -0.08 -2.48 3.04 0.00 -0.63 -4.84 120.51 114.52 3n3r n ALA 265 Ca 0.18 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 3n3r n ALA 265 Cb 0.73 -0.86 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 3n3r n ALA 265 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3n3r s MET 266 N -2.64 2.42 0.22 0.00 -1.94 -0.32 -4.99 119.30 112.06 3n3r s MET 266 Ca 0.00 -0.80 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 3n3r s MET 266 Cb 0.00 -2.25 0.04 0.00 2.01 0.00 0.00 34.83 34.63 3n3r s MET 266 CO 0.00 0.55 0.31 0.27 -0.01 0.00 0.00 175.02 176.14 3n3r n ASN 267 N 2.49 0.65 -0.10 3.03 0.23 -1.26 -3.04 115.26 117.26 3n3r n ASN 267 Ca -0.17 -1.49 -0.10 0.00 -0.53 0.00 0.00 54.58 52.29 3n3r n ASN 267 Cb 0.52 -0.18 -0.03 0.00 -2.08 0.00 0.00 39.78 38.01 3n3r n ASN 267 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3n3r h ASP 268 N -0.05 0.42 -0.88 0.53 5.19 -1.99 -0.30 116.42 119.34 3n3r h ASP 268 Ca -0.10 -0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3n3r h ASP 268 Cb 0.44 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 3n3r h ASP 268 CO 0.13 0.50 0.53 -0.08 -3.12 0.00 0.00 179.24 177.20 3n3r h GLU 269 N 0.33 1.20 -0.47 3.56 4.81 -1.98 -1.05 114.58 120.98 3n3r h GLU 269 Ca 0.10 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 3n3r h GLU 269 Cb 0.22 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3n3r h GLU 269 CO -0.01 0.84 -0.19 0.93 -0.73 0.00 0.00 179.01 179.85 3n3r h GLU 270 N 1.21 0.93 -0.13 1.92 5.08 -1.89 -1.00 114.58 120.71 3n3r h GLU 270 Ca 0.32 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3n3r h GLU 270 Cb -0.05 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3n3r h GLU 270 CO -0.06 1.04 -0.02 1.15 -1.00 0.00 0.00 179.01 180.12 3n3r h THR 271 N 0.82 1.27 -0.62 1.13 2.02 -0.79 -0.21 112.91 116.54 3n3r h THR 271 Ca 0.11 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3n3r h THR 271 Cb 0.75 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3n3r h THR 271 CO 0.06 0.27 0.31 0.58 0.37 0.00 0.00 175.52 177.10 3n3r h VAL 272 N -0.05 1.21 -0.82 3.16 2.07 -1.12 -0.85 116.25 119.86 3n3r h VAL 272 Ca 0.04 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3n3r h VAL 272 Cb 0.42 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3n3r h VAL 272 CO 0.01 0.24 0.48 0.00 0.02 0.00 0.00 177.57 178.32 3n3r h ALA 273 N 1.14 1.05 -0.26 1.67 0.00 -1.04 -1.39 119.26 120.42 3n3r h ALA 273 Ca 0.21 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3n3r h ALA 273 Cb 0.10 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3n3r h ALA 273 CO -0.03 0.53 -0.33 -0.07 0.00 0.00 0.00 179.25 179.35 3n3r h LEU 274 N 1.13 0.74 -0.18 0.00 3.38 -0.76 0.39 115.31 120.02 3n3r h LEU 274 Ca 0.29 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3n3r h LEU 274 Cb -0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3n3r h LEU 274 CO -0.05 1.09 -0.29 0.40 0.09 0.00 0.00 178.44 179.69 3n3r h ILE 275 N 0.42 1.35 -0.23 1.22 2.04 -0.96 0.59 117.51 121.93 3n3r h ILE 275 Ca 0.03 -1.51 -0.10 0.00 1.00 0.00 0.00 64.86 64.28 3n3r h ILE 275 Cb 0.91 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3n3r h ILE 275 CO 0.08 0.46 -0.30 0.00 0.00 0.00 0.00 178.15 178.39 3n3r h ALA 276 N 0.59 1.06 0.31 1.87 0.00 -1.33 -1.19 119.26 120.57 3n3r h ALA 276 Ca 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3n3r h ALA 276 Cb 0.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3n3r h ALA 276 CO 0.07 0.57 -0.15 0.78 0.00 0.00 0.00 179.25 180.52 3n3r h GLY 277 N 1.05 -0.43 0.77 0.00 0.00 -0.85 -2.29 103.07 101.32 3n3r h GLY 277 Ca 0.05 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.58 3n3r h GLY 277 CO 0.06 -0.16 0.18 -1.33 0.00 0.00 0.00 176.54 175.28 3n3r h GLY 278 N -0.56 0.51 -1.40 4.60 0.00 -0.80 -2.70 103.07 102.72 3n3r h GLY 278 Ca -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3n3r h GLY 278 CO 0.07 0.08 0.00 1.42 0.00 0.00 0.00 176.54 178.11 3n3r n HIS 279 N -4.95 0.46 0.54 5.60 8.25 -0.46 -1.76 115.22 122.90 3n3r n HIS 279 Ca 0.01 -0.17 0.13 0.00 -0.26 0.00 0.00 57.72 57.43 3n3r n HIS 279 Cb 0.11 -0.15 0.37 0.00 1.12 0.00 0.00 29.99 31.43 3n3r n HIS 279 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3n3r h THR 280 N 1.04 0.00 -3.99 1.59 2.02 -1.06 -3.43 112.91 109.08 3n3r h THR 280 Ca 0.00 -0.56 -0.62 0.00 0.77 0.00 0.00 66.41 66.00 3n3r h THR 280 Cb 0.71 1.55 -0.23 0.00 -1.74 0.00 0.00 68.15 68.44 3n3r h THR 280 CO 0.09 0.00 -0.85 -0.36 0.37 0.00 0.00 175.52 174.77 3n3r s PHE 281 N -3.14 2.02 0.00 3.16 0.40 -0.73 -4.70 117.98 115.00 3n3r s PHE 281 Ca 0.10 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 3n3r s PHE 281 Cb 0.11 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.51 3n3r s PHE 281 CO 0.60 0.23 0.00 0.41 0.70 0.00 0.00 175.22 177.16 3n3r n GLY 282 N 1.20 -0.09 3.80 4.36 0.00 -0.15 -4.90 105.19 109.41 3n3r n GLY 282 Ca -0.18 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 3n3r n GLY 282 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3r s LYS 283 N 0.00 1.57 0.68 1.61 -2.85 -1.26 -4.19 119.74 115.30 3n3r s LYS 283 Ca 0.00 -0.85 0.01 0.00 -1.00 0.00 0.00 55.97 54.13 3n3r s LYS 283 Cb 0.00 0.54 0.11 0.00 -2.06 0.00 0.00 37.83 36.42 3n3r s LYS 283 CO 0.00 -0.72 0.93 0.95 0.10 0.00 0.00 175.35 176.62 3n3r s THR 284 N -3.71 2.21 -0.08 3.79 -4.23 0.19 -4.99 115.64 108.83 3n3r s THR 284 Ca 0.11 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.93 3n3r s THR 284 Cb -0.04 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.29 3n3r s THR 284 CO 0.04 0.00 0.06 -1.00 -0.54 0.00 0.00 174.62 173.18 3n3r s HIS 285 N -3.02 0.20 -0.38 3.99 0.09 -0.85 -4.40 115.29 110.92 3n3r s HIS 285 Ca 0.64 0.02 0.12 0.00 -0.00 0.00 0.00 55.06 55.84 3n3r s HIS 285 Cb -0.06 -0.59 0.41 0.00 -0.00 0.00 0.00 32.58 32.34 3n3r s HIS 285 CO 0.43 -0.30 1.23 0.41 -0.00 0.00 0.00 174.74 176.51 3n3r n GLY 286 N 5.27 1.39 0.17 -2.22 0.00 -0.31 -0.55 105.19 108.94 3n3r n GLY 286 Ca -0.05 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.63 3n3r n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r h ALA 287 N 2.31 1.00 -2.83 4.61 0.00 -1.65 -3.25 119.26 119.45 3n3r h ALA 287 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3n3r h ALA 287 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3n3r h ALA 287 CO 0.10 0.00 0.12 0.41 0.00 0.00 0.00 179.25 179.89 3n3r n GLY 288 N 0.90 1.56 3.77 0.00 0.00 -1.26 -4.78 105.19 105.36 3n3r n GLY 288 Ca 0.04 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 3n3r n GLY 288 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n3r s PRO 289 N -2.15 3.91 0.57 1.61 0.02 -1.26 -4.12 135.00 133.57 3n3r s PRO 289 Ca 0.12 2.12 0.32 0.00 0.02 0.00 0.00 61.00 63.58 3n3r s PRO 289 Cb -0.03 -2.70 1.69 0.00 0.02 0.00 0.00 34.50 33.49 3n3r s PRO 289 CO 0.09 -0.53 2.15 0.00 -0.33 0.00 0.00 177.00 178.38 3n3r h ALA 290 N 2.56 1.23 0.00 -1.55 0.00 -1.94 -1.70 119.26 117.87 3n3r h ALA 290 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3n3r h ALA 290 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3n3r h ALA 290 CO 0.62 0.08 0.00 0.66 0.00 0.00 0.00 179.25 180.61 3n3r h SER 291 N 0.00 0.00 0.80 0.00 4.64 -1.96 -0.27 113.55 116.76 3n3r h SER 291 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3r h SER 291 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3n3r h SER 291 CO 0.01 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.75 3n3r h ASN 292 N 0.00 0.00 -3.40 4.97 2.35 -1.67 -3.45 115.58 114.38 3n3r h ASN 292 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 3n3r h ASN 292 Cb 0.05 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.33 3n3r h ASN 292 CO 0.00 0.00 -0.02 -0.69 -1.65 0.00 0.00 177.43 175.07 3n3r s VAL 293 N -3.42 5.10 0.00 2.81 1.01 -0.12 -1.02 120.40 124.77 3n3r s VAL 293 Ca 0.03 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3n3r s VAL 293 Cb 0.09 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3n3r s VAL 293 CO 0.43 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3n3r n GLY 294 N 3.61 0.47 3.76 4.51 0.00 0.97 -4.96 105.19 113.56 3n3r n GLY 294 Ca -0.04 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3n3r n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r n ALA 295 N -3.00 2.39 -0.81 4.61 0.00 -1.26 -3.90 120.51 118.53 3n3r n ALA 295 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 3n3r n ALA 295 Cb 0.00 -2.43 0.18 0.00 0.00 0.00 0.00 19.45 17.20 3n3r n ALA 295 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3n3r s GLU 296 N -1.46 0.50 0.21 0.00 1.03 -1.26 -0.67 118.70 117.05 3n3r s GLU 296 Ca 0.58 1.10 -0.10 0.00 0.03 0.00 0.00 54.97 56.58 3n3r s GLU 296 Cb -0.49 -1.70 0.27 0.00 -0.80 0.00 0.00 34.13 31.41 3n3r s GLU 296 CO 0.58 -2.84 1.74 -1.35 -1.33 0.00 0.00 175.26 172.06 3n3r h PRO 297 N -2.00 0.38 0.00 -4.83 0.11 -1.83 -0.46 132.00 123.37 3n3r h PRO 297 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3n3r h PRO 297 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3n3r h PRO 297 CO 0.48 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.92 3n3r n GLU 298 N -5.00 0.12 -0.00 1.05 -0.58 -1.26 -2.08 120.64 112.88 3n3r n GLU 298 Ca 0.08 0.41 0.09 0.00 -0.42 0.00 0.00 57.16 57.32 3n3r n GLU 298 Cb 0.27 -1.76 -0.11 0.00 -0.57 0.00 0.00 31.44 29.27 3n3r n GLU 298 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3n3r n ALA 299 N -1.68 4.34 -1.41 0.62 0.00 -0.28 -5.03 120.51 117.07 3n3r n ALA 299 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 3n3r n ALA 299 Cb 0.18 -0.68 0.10 0.00 0.00 0.00 0.00 19.45 19.05 3n3r n ALA 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3r s ALA 300 N -2.79 2.11 0.72 0.00 0.00 -0.63 -4.89 121.76 116.27 3n3r s ALA 300 Ca 0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 3n3r s ALA 300 Cb 0.14 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 20.13 3n3r s ALA 300 CO 0.77 -1.84 1.14 0.20 0.00 0.00 0.00 175.76 176.03 3n3r s GLY 301 N -3.68 2.11 0.30 0.00 0.00 -1.26 -4.91 107.32 99.88 3n3r s GLY 301 Ca 0.61 0.62 0.04 0.00 0.00 0.00 0.00 44.72 45.99 3n3r s GLY 301 CO 0.55 0.99 1.82 1.19 0.00 0.00 0.00 173.10 177.65 3n3r h ILE 302 N -0.39 0.83 0.00 0.90 2.10 -1.98 -0.81 117.51 118.17 3n3r h ILE 302 Ca -0.46 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.17 3n3r h ILE 302 Cb 1.26 -0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 3n3r h ILE 302 CO 0.51 0.16 0.00 -1.84 -1.08 0.00 0.00 178.15 175.90 3n3r n GLU 303 N -4.66 0.15 0.09 2.19 0.00 -1.26 -1.45 120.64 115.70 3n3r n GLU 303 Ca 0.20 0.52 0.11 0.00 0.00 0.00 0.00 57.16 57.99 3n3r n GLU 303 Cb 0.45 -1.88 0.44 0.00 0.00 0.00 0.00 31.44 30.44 3n3r n GLU 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3n3r n ALA 304 N -1.75 1.73 -3.85 -1.84 0.00 -0.31 -4.89 120.51 109.59 3n3r n ALA 304 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 3n3r n ALA 304 Cb 0.12 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3n3r n ALA 304 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3n3r n GLN 305 N -2.01 -3.97 -0.13 0.00 1.13 -0.53 -2.06 117.38 109.82 3n3r n GLN 305 Ca 0.03 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 3n3r n GLN 305 Cb 0.23 -4.80 0.00 0.00 0.11 0.00 0.00 30.24 25.78 3n3r n GLN 305 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n3r n GLY 306 N -1.81 1.21 4.01 1.08 0.00 -1.26 -5.04 105.19 103.37 3n3r n GLY 306 Ca -0.30 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 3n3r n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3r s LEU 307 N 0.00 3.41 0.00 0.99 1.43 -0.88 -4.88 118.68 118.75 3n3r s LEU 307 Ca 0.00 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3n3r s LEU 307 Cb 0.00 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3n3r s LEU 307 CO 0.00 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.20 3n3r n GLY 308 N -1.99 2.71 3.85 -3.19 0.00 -1.26 -4.45 105.19 100.86 3n3r n GLY 308 Ca 0.11 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 3n3r n GLY 308 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3n3r n TRP 309 N 0.00 -2.05 -1.73 1.61 8.01 0.16 -4.84 117.44 118.59 3n3r n TRP 309 Ca 0.00 0.78 -0.42 0.00 -1.31 0.00 0.00 57.50 56.55 3n3r n TRP 309 Cb 0.00 -3.53 -0.02 0.00 -2.01 0.00 0.00 31.31 25.75 3n3r n TRP 309 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 3n3r n LYS 310 N -4.40 2.69 -4.80 -0.99 4.81 -1.26 -4.40 118.16 109.80 3n3r n LYS 310 Ca 0.04 0.96 -0.33 0.00 -0.87 0.00 0.00 58.31 58.11 3n3r n LYS 310 Cb 0.52 -2.77 -0.12 0.00 0.02 0.00 0.00 35.03 32.67 3n3r n LYS 310 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3n3r s SER 311 N 0.82 4.23 0.00 3.14 0.15 -1.26 -0.02 113.70 120.75 3n3r s SER 311 Ca 0.70 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.45 3n3r s SER 311 Cb -0.51 -0.95 0.73 0.00 -1.71 0.00 0.00 66.02 63.58 3n3r s SER 311 CO 0.41 0.35 1.55 0.00 1.20 0.00 0.00 173.24 176.75 3n3r n ALA 312 N 2.26 2.52 -2.59 5.45 0.00 -0.19 -4.21 120.51 123.75 3n3r n ALA 312 Ca -0.17 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.25 3n3r n ALA 312 Cb 0.52 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 3n3r n ALA 312 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3n3r s TYR 313 N -1.84 2.78 0.00 0.00 5.04 -1.26 -4.87 117.35 117.19 3n3r s TYR 313 Ca 0.34 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 3n3r s TYR 313 Cb 0.20 -4.29 0.00 0.00 0.35 0.00 0.00 41.96 38.22 3n3r s TYR 313 CO 0.30 -1.34 0.00 0.54 -1.34 0.00 0.00 175.55 173.71 3n3r n ARG 314 N 7.79 0.00 0.00 4.97 1.74 -1.26 -0.30 116.66 129.60 3n3r n ARG 314 Ca 0.08 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.28 3n3r n ARG 314 Cb 0.49 0.00 0.57 0.00 -1.02 0.00 0.00 32.46 32.49 3n3r n ARG 314 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3n3r n THR 315 N 0.00 0.20 -0.97 0.55 -2.24 -1.26 -4.91 114.28 105.64 3n3r n THR 315 Ca 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3n3r n THR 315 Cb 0.00 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 3n3r n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3r n GLY 316 N 1.17 0.51 3.81 3.38 0.00 0.59 -4.96 105.19 109.69 3n3r n GLY 316 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3n3r n GLY 316 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3r s LYS 317 N -0.34 2.02 6.51 1.61 -2.85 -1.26 -4.45 119.74 120.98 3n3r s LYS 317 Ca 0.00 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 53.71 3n3r s LYS 317 Cb 0.00 0.61 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 3n3r s LYS 317 CO 0.00 -0.93 0.00 0.41 0.10 0.00 0.00 175.35 174.93 3n3r n GLY 318 N -0.50 3.48 0.36 0.59 0.00 -1.26 -0.59 105.19 107.27 3n3r n GLY 318 Ca -0.06 -0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.09 3n3r n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r h ALA 319 N -0.81 1.81 -0.42 4.61 0.00 -1.95 -1.20 119.26 121.29 3n3r h ALA 319 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3n3r h ALA 319 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3n3r h ALA 319 CO 0.00 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 3n3r n ASP 320 N -3.58 3.47 -4.75 0.00 8.00 0.25 -4.86 116.55 115.07 3n3r n ASP 320 Ca 0.03 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.16 3n3r n ASP 320 Cb 0.43 -0.27 0.03 0.00 -0.02 0.00 0.00 41.12 41.30 3n3r n ASP 320 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n3r s ALA 321 N -1.46 2.79 -0.14 2.24 0.00 -0.46 -4.31 121.76 120.42 3n3r s ALA 321 Ca 0.40 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.57 3n3r s ALA 321 Cb 0.23 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.86 3n3r s ALA 321 CO 0.32 -1.25 -0.03 0.42 0.00 0.00 0.00 175.76 175.22 3n3r s ILE 322 N -1.38 0.81 0.00 0.00 1.01 -1.26 -2.12 121.20 118.26 3n3r s ILE 322 Ca 0.72 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.00 3n3r s ILE 322 Cb -0.37 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3n3r s ILE 322 CO 0.43 0.15 0.00 0.41 0.00 0.00 0.00 174.94 175.94 3n3r n THR 323 N 4.98 0.00 0.16 2.92 -1.04 0.28 -4.88 114.28 116.71 3n3r n THR 323 Ca -0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.02 3n3r n THR 323 Cb 0.49 -0.47 0.09 0.00 -1.82 0.00 0.00 70.33 68.62 3n3r n THR 323 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3n3r h SER 324 N 0.00 0.00 0.00 8.00 4.64 -1.84 -3.48 113.55 120.87 3n3r h SER 324 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3r h SER 324 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3n3r h SER 324 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3n3r n GLY 325 N 1.14 2.56 3.89 -0.77 0.00 -0.48 -5.01 105.19 106.53 3n3r n GLY 325 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3n3r n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3r s LEU 326 N 0.00 4.00 -0.51 0.99 1.43 -1.25 -4.17 118.68 119.17 3n3r s LEU 326 Ca 0.00 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 3n3r s LEU 326 Cb 0.00 -3.67 0.16 0.00 0.03 0.00 0.00 46.19 42.71 3n3r s LEU 326 CO 0.00 -0.25 0.36 -0.70 0.23 0.00 0.00 176.35 175.99 3n3r s GLU 327 N -3.61 1.47 -0.03 1.70 2.56 -1.26 -1.16 118.70 118.37 3n3r s GLU 327 Ca 0.46 -2.46 0.03 0.00 0.00 0.00 0.00 54.97 53.01 3n3r s GLU 327 Cb -0.11 -2.24 0.00 0.00 2.00 0.00 0.00 34.13 33.78 3n3r s GLU 327 CO 0.30 -1.30 -0.11 0.08 -0.56 0.00 0.00 175.26 173.66 3n3r s VAL 328 N -0.33 0.97 -0.11 3.70 1.01 -1.26 -4.99 120.40 119.39 3n3r s VAL 328 Ca 0.27 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3n3r s VAL 328 Cb -0.06 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3n3r s VAL 328 CO -0.14 0.29 -0.12 -0.89 0.00 0.00 0.00 175.10 174.24 3n3r s THR 329 N 0.14 1.30 0.03 3.92 2.01 -1.26 -0.63 115.64 121.14 3n3r s THR 329 Ca -0.03 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.50 3n3r s THR 329 Cb -0.09 -1.22 -0.25 0.00 0.01 0.00 0.00 72.50 70.94 3n3r s THR 329 CO 0.01 0.41 0.95 -0.50 -0.69 0.00 0.00 174.62 174.79 3n3r h TRP 330 N 7.68 0.25 -3.32 4.92 6.55 -1.80 -3.34 115.95 126.90 3n3r h TRP 330 Ca -0.32 -0.18 -0.38 0.00 0.95 0.00 0.00 58.89 58.96 3n3r h TRP 330 Cb 1.16 -0.01 -0.14 0.00 -0.86 0.00 0.00 29.16 29.30 3n3r h TRP 330 CO 0.48 1.20 -0.66 0.95 -1.05 0.00 0.00 178.44 179.36 3n3r s THR 331 N -2.64 1.05 -1.03 1.49 -4.23 -1.26 -4.78 115.64 104.24 3n3r s THR 331 Ca -0.05 -2.04 0.23 0.00 -1.18 0.00 0.00 61.69 58.65 3n3r s THR 331 Cb 0.08 -2.31 0.20 0.00 1.34 0.00 0.00 72.50 71.81 3n3r s THR 331 CO 0.84 -0.35 1.74 0.35 -0.54 0.00 0.00 174.62 176.66 3n3r n THR 332 N -0.40 0.41 -3.49 3.99 -2.24 -1.26 -4.10 114.28 107.18 3n3r n THR 332 Ca -0.05 0.10 -0.27 0.00 -2.27 0.00 0.00 64.05 61.55 3n3r n THR 332 Cb 0.64 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 3n3r n THR 332 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3n3r s THR 333 N -2.97 0.77 -1.22 4.28 -4.23 -1.26 -4.48 115.64 106.53 3n3r s THR 333 Ca 0.12 -2.83 0.15 0.00 -1.18 0.00 0.00 61.69 57.95 3n3r s THR 333 Cb 0.15 -1.54 0.20 0.00 1.34 0.00 0.00 72.50 72.65 3n3r s THR 333 CO 0.42 -1.17 1.45 -2.65 -0.54 0.00 0.00 174.62 172.13 3n3r n PRO 334 N 2.83 0.11 -0.34 3.99 -0.02 -1.26 -1.25 135.00 139.07 3n3r n PRO 334 Ca 0.26 0.19 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 3n3r n PRO 334 Cb 0.44 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.62 3n3r n PRO 334 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3n3r n THR 335 N -1.39 2.14 -3.81 3.45 -2.24 -1.26 -0.98 114.28 110.19 3n3r n THR 335 Ca 0.05 -2.25 -0.13 0.00 -2.27 0.00 0.00 64.05 59.46 3n3r n THR 335 Cb 0.15 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 67.99 3n3r n THR 335 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n3r s GLN 336 N -2.93 0.14 0.34 -0.78 -0.21 -0.38 -4.59 119.66 111.25 3n3r s GLN 336 Ca 0.38 0.21 -0.28 0.00 0.02 0.00 0.00 55.36 55.68 3n3r s GLN 336 Cb 0.32 0.03 -0.12 0.00 1.00 0.00 0.00 33.01 34.25 3n3r s GLN 336 CO 0.04 -0.04 1.39 1.87 -2.12 0.00 0.00 175.29 176.43 3n3r n TRP 337 N 3.20 2.56 -3.91 0.91 -0.00 0.10 -4.81 117.44 115.50 3n3r n TRP 337 Ca -0.15 0.48 -0.09 0.00 -0.00 0.00 0.00 57.50 57.74 3n3r n TRP 337 Cb 0.58 -2.47 -0.01 0.00 -0.00 0.00 0.00 31.31 29.40 3n3r n TRP 337 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 3n3r s SER 338 N -0.13 0.07 -0.31 5.87 1.04 -1.26 -5.00 113.70 113.98 3n3r s SER 338 Ca 0.56 -1.02 0.09 0.00 0.48 0.00 0.00 55.95 56.06 3n3r s SER 338 Cb -0.54 0.74 0.58 0.00 0.10 0.00 0.00 66.02 66.90 3n3r s SER 338 CO 0.61 -1.43 1.60 1.41 0.98 0.00 0.00 173.24 176.41 3n3r n HIS 339 N -0.49 1.68 0.38 5.02 8.25 -1.26 -4.71 115.22 124.09 3n3r n HIS 339 Ca -0.04 -1.47 0.12 0.00 -0.26 0.00 0.00 57.72 56.07 3n3r n HIS 339 Cb 0.60 -0.58 0.20 0.00 1.12 0.00 0.00 29.99 31.33 3n3r n HIS 339 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3n3r h ASN 340 N 1.39 0.00 -0.03 0.41 -0.00 -1.96 -3.11 115.58 112.28 3n3r h ASN 340 Ca 0.28 -0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 3n3r h ASN 340 Cb 1.98 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 40.29 3n3r h ASN 340 CO 0.56 0.02 0.02 0.15 -0.00 0.00 0.00 177.43 178.19 3n3r h PHE 341 N 0.00 0.04 0.00 0.67 3.57 -1.86 -1.01 116.94 118.35 3n3r h PHE 341 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 3n3r h PHE 341 Cb 0.88 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3n3r h PHE 341 CO 0.00 0.04 -0.77 0.74 -2.23 0.00 0.00 178.31 176.09 3n3r h PHE 342 N 0.03 0.00 -0.49 0.41 0.05 -1.94 -0.43 116.94 114.57 3n3r h PHE 342 Ca 0.01 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.85 3n3r h PHE 342 Cb 0.01 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 37.91 3n3r h PHE 342 CO -0.07 0.77 0.23 0.93 -0.18 0.00 0.00 178.31 179.98 3n3r h GLU 343 N 0.00 0.43 -0.27 1.51 5.08 -1.45 -1.95 114.58 117.93 3n3r h GLU 343 Ca -0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3n3r h GLU 343 Cb 1.45 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3n3r h GLU 343 CO 0.10 0.28 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.40 3n3r h ASN 344 N 0.44 0.53 -0.86 1.42 2.35 -0.98 0.58 115.58 119.06 3n3r h ASN 344 Ca 0.22 -0.38 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3n3r h ASN 344 Cb 0.17 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3n3r h ASN 344 CO -0.18 0.79 0.57 0.25 -1.65 0.00 0.00 177.43 177.21 3n3r h LEU 345 N 0.27 0.97 0.00 1.61 5.85 -0.78 -2.68 115.31 120.56 3n3r h LEU 345 Ca 0.07 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3n3r h LEU 345 Cb 0.56 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3n3r h LEU 345 CO 0.03 0.70 -1.23 0.49 -0.34 0.00 0.00 178.44 178.08 3n3r n PHE 346 N -4.50 0.55 0.90 1.25 3.01 -0.76 -4.31 117.46 113.59 3n3r n PHE 346 Ca 0.10 0.16 0.13 0.00 1.01 0.00 0.00 57.45 58.85 3n3r n PHE 346 Cb 0.03 -0.71 0.47 0.00 -0.01 0.00 0.00 39.48 39.26 3n3r n PHE 346 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n3r n GLY 347 N 1.25 -1.48 3.20 1.37 0.00 0.20 -4.84 105.19 104.89 3n3r n GLY 347 Ca -0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 3n3r n GLY 347 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n3r s TYR 348 N -3.03 1.25 0.29 1.61 1.51 -1.10 -5.03 117.35 112.84 3n3r s TYR 348 Ca 0.12 -0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 3n3r s TYR 348 Cb 0.17 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 41.30 3n3r s TYR 348 CO 0.59 0.08 0.54 -1.21 -1.11 0.00 0.00 175.55 174.44 3n3r s GLU 349 N -2.45 3.62 -0.02 -0.62 0.41 -1.26 -4.93 118.70 113.44 3n3r s GLU 349 Ca 0.05 -0.03 0.08 0.00 -0.41 0.00 0.00 54.97 54.65 3n3r s GLU 349 Cb -0.06 -2.66 -0.02 0.00 -1.78 0.00 0.00 34.13 29.61 3n3r s GLU 349 CO 0.02 0.22 -0.25 -1.58 -0.49 0.00 0.00 175.26 173.18 3n3r s TRP 350 N -2.08 2.36 -0.04 1.61 0.52 -1.26 -0.10 118.94 119.94 3n3r s TRP 350 Ca 0.43 -0.45 0.07 0.00 0.02 0.00 0.00 56.10 56.17 3n3r s TRP 350 Cb -0.11 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 3n3r s TRP 350 CO 0.30 -0.04 -0.25 -2.00 0.02 0.00 0.00 176.95 174.98 3n3r s GLU 351 N -0.58 2.40 0.17 4.98 2.12 -0.29 -4.92 118.70 122.58 3n3r s GLU 351 Ca 0.09 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 3n3r s GLU 351 Cb -0.10 -2.14 -0.07 0.00 0.26 0.00 0.00 34.13 32.08 3n3r s GLU 351 CO -0.01 0.46 1.11 -1.17 -0.54 0.00 0.00 175.26 175.12 3n3r s LEU 352 N -0.35 4.48 0.00 2.70 2.96 -1.26 -0.75 118.68 126.45 3n3r s LEU 352 Ca 0.02 2.10 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 3n3r s LEU 352 Cb -0.12 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 3n3r s LEU 352 CO 0.02 -0.25 0.23 1.07 -1.32 0.00 0.00 176.35 176.10 3n3r n THR 353 N 2.48 0.00 -4.73 3.68 5.66 0.64 -4.91 114.28 117.09 3n3r n THR 353 Ca 0.03 -1.20 -0.28 0.00 -3.05 0.00 0.00 64.05 59.55 3n3r n THR 353 Cb 0.46 0.67 -0.14 0.00 -1.55 0.00 0.00 70.33 69.77 3n3r n THR 353 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3n3r s LYS 354 N -2.60 1.56 1.01 1.09 1.02 -1.26 -1.88 119.74 118.67 3n3r s LYS 354 Ca 0.20 -1.05 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 3n3r s LYS 354 Cb 0.00 -1.73 0.20 0.00 -0.52 0.00 0.00 37.83 35.78 3n3r s LYS 354 CO 0.14 0.44 1.23 -1.54 -0.92 0.00 0.00 175.35 174.70 3n3r s SER 355 N -1.29 2.71 0.36 2.83 1.04 0.29 -4.87 113.70 114.77 3n3r s SER 355 Ca 0.10 0.51 0.26 0.00 0.48 0.00 0.00 55.95 57.30 3n3r s SER 355 Cb -0.09 -0.73 1.29 0.00 0.10 0.00 0.00 66.02 66.59 3n3r s SER 355 CO 0.02 -3.01 1.78 -0.65 0.98 0.00 0.00 173.24 172.37 3n3r h PRO 356 N -1.82 0.00 -0.02 4.02 0.11 -1.84 0.25 132.00 132.70 3n3r h PRO 356 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3n3r h PRO 356 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3n3r h PRO 356 CO 0.43 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.18 3n3r n ALA 357 N -1.83 2.60 -0.13 -0.75 0.00 -1.23 -4.21 120.51 114.96 3n3r n ALA 357 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3n3r n ALA 357 Cb 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3n3r n ALA 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3r n GLY 358 N 1.26 0.78 3.86 0.00 0.00 0.08 -4.58 105.19 106.59 3n3r n GLY 358 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3n3r n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r s ALA 359 N -2.11 3.53 0.18 4.61 0.00 -1.26 -4.74 121.76 121.97 3n3r s ALA 359 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 3n3r s ALA 359 Cb 0.00 -2.52 -0.08 0.00 0.00 0.00 0.00 23.12 20.52 3n3r s ALA 359 CO 0.00 0.46 1.25 -1.01 0.00 0.00 0.00 175.76 176.47 3n3r s HIS 360 N -1.73 3.34 0.24 0.00 3.76 -1.26 -0.55 115.29 119.09 3n3r s HIS 360 Ca 0.45 1.31 -0.10 0.00 -0.15 0.00 0.00 55.06 56.58 3n3r s HIS 360 Cb -0.12 -3.52 0.04 0.00 1.11 0.00 0.00 32.58 30.09 3n3r s HIS 360 CO 0.20 -1.55 0.52 0.00 -0.85 0.00 0.00 174.74 173.06 3n3r n GLN 361 N 2.67 0.69 -4.34 1.40 10.64 -0.79 -4.67 117.38 122.98 3n3r n GLN 361 Ca 0.06 -1.37 -0.19 0.00 -1.83 0.00 0.00 57.00 53.67 3n3r n GLN 361 Cb 0.44 1.72 -0.13 0.00 -0.86 0.00 0.00 30.24 31.40 3n3r n GLN 361 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3n3r s TRP 362 N -4.52 1.07 0.05 2.61 0.52 -0.44 -0.26 118.94 117.97 3n3r s TRP 362 Ca 0.11 -0.32 0.07 0.00 0.02 0.00 0.00 56.10 55.98 3n3r s TRP 362 Cb -0.03 -0.65 -0.03 0.00 -1.15 0.00 0.00 33.47 31.62 3n3r s TRP 362 CO 0.07 0.01 -0.18 0.54 0.02 0.00 0.00 176.95 177.41 3n3r s VAL 363 N -0.73 1.48 -0.11 4.03 0.11 0.07 -0.86 120.40 124.39 3n3r s VAL 363 Ca 0.01 -1.20 -0.30 0.00 -2.93 0.00 0.00 61.98 57.57 3n3r s VAL 363 Cb -0.07 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 3n3r s VAL 363 CO 0.01 0.08 1.34 0.00 -3.33 0.00 0.00 175.10 173.21 3n3r s ALA 364 N -0.89 3.62 0.18 1.54 0.00 -0.58 -1.14 121.76 124.50 3n3r s ALA 364 Ca 0.05 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 3n3r s ALA 364 Cb -0.09 -3.63 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 3n3r s ALA 364 CO 0.02 -1.13 1.43 0.15 0.00 0.00 0.00 175.76 176.23 3n3r s LYS 365 N 3.29 4.29 -0.05 0.00 1.02 0.85 -2.99 119.74 126.15 3n3r s LYS 365 Ca 0.59 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.79 3n3r s LYS 365 Cb -0.25 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 3n3r s LYS 365 CO 0.20 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 3n3r n GLY 366 N 2.96 0.31 3.85 -3.33 0.00 -1.26 -4.66 105.19 103.05 3n3r n GLY 366 Ca 0.10 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3n3r n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r s ALA 367 N -1.57 3.13 0.77 4.61 0.00 -1.16 -5.05 121.76 122.49 3n3r s ALA 367 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 3n3r s ALA 367 Cb 0.00 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 20.15 3n3r s ALA 367 CO 0.00 -0.17 1.13 -0.51 0.00 0.00 0.00 175.76 176.21 3n3r s ASP 368 N -3.05 4.86 -0.91 0.00 1.01 -1.26 -4.91 116.67 112.39 3n3r s ASP 368 Ca 0.57 1.01 -0.21 0.00 0.71 0.00 0.00 52.55 54.64 3n3r s ASP 368 Cb -0.10 -1.68 0.10 0.00 1.01 0.00 0.00 42.92 42.25 3n3r s ASP 368 CO 0.31 -1.71 1.20 0.00 0.21 0.00 0.00 175.17 175.18 3n3r s ALA 369 N -3.41 3.13 -0.59 5.23 0.00 -1.26 -4.37 121.76 120.48 3n3r s ALA 369 Ca 0.60 -2.46 0.09 0.00 0.00 0.00 0.00 51.96 50.18 3n3r s ALA 369 Cb -0.12 -4.17 -0.05 0.00 0.00 0.00 0.00 23.12 18.79 3n3r s ALA 369 CO 0.51 -3.14 0.47 1.33 0.00 0.00 0.00 175.76 174.92 3n3r n VAL 370 N 5.97 0.00 -3.62 0.00 0.24 -0.68 -4.45 118.33 115.79 3n3r n VAL 370 Ca 0.22 -0.35 -0.36 0.00 -2.04 0.00 0.00 64.34 61.81 3n3r n VAL 370 Cb 0.49 1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 33.83 3n3r n VAL 370 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3n3r s ILE 371 N -1.53 5.34 0.70 1.34 -1.09 0.61 -4.73 121.20 121.84 3n3r s ILE 371 Ca 0.05 0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 58.65 3n3r s ILE 371 Cb 0.07 -3.55 0.02 0.00 -1.58 0.00 0.00 42.46 37.42 3n3r s ILE 371 CO 0.29 0.37 1.19 -2.16 -1.23 0.00 0.00 174.94 173.40 3n3r s PRO 372 N 0.72 2.35 0.40 2.79 0.04 -1.26 -0.10 135.00 139.94 3n3r s PRO 372 Ca 0.11 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.68 3n3r s PRO 372 Cb -0.13 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 3n3r s PRO 372 CO 0.03 -1.67 0.90 0.34 0.04 0.00 0.00 177.00 176.64 3n3r s ASP 373 N -2.04 6.91 0.48 6.66 -1.08 -1.13 -4.80 116.67 121.67 3n3r s ASP 373 Ca 0.74 1.59 0.28 0.00 -0.52 0.00 0.00 52.55 54.64 3n3r s ASP 373 Cb -0.28 -2.50 0.90 0.00 -1.46 0.00 0.00 42.92 39.58 3n3r s ASP 373 CO 0.43 -0.31 1.81 0.00 0.52 0.00 0.00 175.17 177.62 3n3r h ALA 374 N 2.04 0.98 0.00 3.66 0.00 -1.95 -3.39 119.26 120.60 3n3r h ALA 374 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3n3r h ALA 374 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3n3r h ALA 374 CO 0.62 0.09 -0.33 1.19 0.00 0.00 0.00 179.25 180.82 3n3r n PHE 375 N -3.16 0.00 -3.85 0.00 3.01 -1.26 -0.67 117.46 111.54 3n3r n PHE 375 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.12 3n3r n PHE 375 Cb 0.42 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.76 3n3r n PHE 375 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3n3r s ASP 376 N -0.94 5.00 0.63 4.37 -1.08 -1.26 -4.97 116.67 118.43 3n3r s ASP 376 Ca 0.00 -1.15 0.31 0.00 -0.52 0.00 0.00 52.55 51.19 3n3r s ASP 376 Cb 0.00 -1.77 1.68 0.00 -1.46 0.00 0.00 42.92 41.37 3n3r s ASP 376 CO 0.00 -0.27 2.01 -0.65 0.52 0.00 0.00 175.17 176.78 3n3r h PRO 377 N 8.09 0.00 -0.00 4.34 0.11 -1.96 -2.34 132.00 140.24 3n3r h PRO 377 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3n3r h PRO 377 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3n3r h PRO 377 CO 0.57 0.00 -0.31 -1.13 -0.21 0.00 0.00 178.00 176.91 3n3r n SER 378 N -3.37 0.70 -4.73 -2.05 3.41 -1.26 -4.85 113.62 101.47 3n3r n SER 378 Ca 0.01 -0.54 -0.35 0.00 -0.26 0.00 0.00 58.87 57.73 3n3r n SER 378 Cb 0.40 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 3n3r n SER 378 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3n3r s LYS 379 N -2.71 3.36 0.17 4.33 1.02 -0.88 -5.12 119.74 119.91 3n3r s LYS 379 Ca 0.20 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.91 3n3r s LYS 379 Cb 0.19 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 3n3r s LYS 379 CO 0.58 0.62 -0.04 0.15 -0.92 0.00 0.00 175.35 175.74 3n3r s LYS 380 N -0.62 1.12 0.07 1.68 1.02 -1.26 -2.85 119.74 118.90 3n3r s LYS 380 Ca 0.11 -1.52 0.02 0.00 0.02 0.00 0.00 55.97 54.60 3n3r s LYS 380 Cb -0.12 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 3n3r s LYS 380 CO 0.02 -0.04 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.34 3n3r s HIS 381 N -3.48 0.75 0.59 3.18 3.76 0.86 -4.86 115.29 116.10 3n3r s HIS 381 Ca 0.21 -0.74 -0.17 0.00 -0.15 0.00 0.00 55.06 54.22 3n3r s HIS 381 Cb 0.05 -0.45 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 3n3r s HIS 381 CO 0.03 -0.14 1.08 1.03 -0.85 0.00 0.00 174.74 175.89 3n3r s ARG 382 N -2.82 3.26 0.31 1.40 0.52 -1.26 -0.28 118.95 120.07 3n3r s ARG 382 Ca 0.01 1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 56.26 3n3r s ARG 382 Cb -0.01 -2.02 -0.13 0.00 0.52 0.00 0.00 34.95 33.31 3n3r s ARG 382 CO -0.03 -0.87 1.24 -2.30 0.02 0.00 0.00 175.30 173.36 3n3r n PRO 383 N -1.90 1.92 -4.11 3.54 -0.02 -1.26 -4.83 135.00 128.34 3n3r n PRO 383 Ca 0.10 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.17 3n3r n PRO 383 Cb 0.52 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 3n3r n PRO 383 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3n3r s THR 384 N -0.90 0.37 0.04 3.45 -4.23 -1.25 -1.53 115.64 111.58 3n3r s THR 384 Ca 0.58 -1.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.18 3n3r s THR 384 Cb -0.62 -1.56 -0.00 0.00 1.34 0.00 0.00 72.50 71.66 3n3r s THR 384 CO 0.60 -0.96 0.14 -0.04 -0.54 0.00 0.00 174.62 173.82 3n3r s MET 385 N -3.87 0.63 0.58 3.99 -1.94 -0.04 -4.53 119.30 114.12 3n3r s MET 385 Ca 0.08 -0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 53.28 3n3r s MET 385 Cb 0.07 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 37.12 3n3r s MET 385 CO -0.08 -0.17 0.97 -0.51 -0.01 0.00 0.00 175.02 175.21 3n3r s LEU 386 N -2.07 3.35 0.27 -0.03 1.43 -1.26 -1.33 118.68 119.04 3n3r s LEU 386 Ca -0.06 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 3n3r s LEU 386 Cb -0.01 -4.32 0.60 0.00 0.03 0.00 0.00 46.19 42.48 3n3r s LEU 386 CO -0.04 -0.78 1.75 0.74 0.23 0.00 0.00 176.35 178.25 3n3r h THR 387 N -0.12 0.67 0.00 5.49 2.02 -1.81 -1.12 112.91 118.03 3n3r h THR 387 Ca -0.45 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.53 3n3r h THR 387 Cb 1.19 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3n3r h THR 387 CO 0.62 0.11 0.00 0.71 0.37 0.00 0.00 175.52 177.33 3n3r h THR 388 N 0.58 0.00 -0.03 3.16 1.35 -1.87 -1.90 112.91 114.21 3n3r h THR 388 Ca 0.50 -0.59 -0.26 0.00 -0.55 0.00 0.00 66.41 65.51 3n3r h THR 388 Cb 0.77 1.58 0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3n3r h THR 388 CO -0.40 0.00 -0.99 0.44 -0.25 0.00 0.00 175.52 174.32 3n3r h ASP 389 N 0.00 0.92 0.25 5.36 3.32 -1.58 -3.16 116.42 121.52 3n3r h ASP 389 Ca 0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 57.03 56.32 3n3r h ASP 389 Cb 0.59 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3n3r h ASP 389 CO 0.00 1.51 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.87 3n3r h LEU 390 N 0.43 0.00 -1.83 1.55 3.38 -0.72 -0.79 115.31 117.33 3n3r h LEU 390 Ca -0.11 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.02 3n3r h LEU 390 Cb 1.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 3n3r h LEU 390 CO 0.20 0.09 0.46 0.28 0.09 0.00 0.00 178.44 179.56 3n3r h SER 391 N 0.00 0.16 0.84 -0.43 0.02 -1.33 -0.18 113.55 112.64 3n3r h SER 391 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3n3r h SER 391 Cb 0.24 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3n3r h SER 391 CO 0.01 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 175.96 3n3r n LEU 392 N -4.41 0.64 -0.09 5.07 4.77 -0.30 -1.90 117.00 120.78 3n3r n LEU 392 Ca 0.13 0.64 -0.10 0.00 -0.03 0.00 0.00 56.01 56.64 3n3r n LEU 392 Cb 0.62 -0.53 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 3n3r n LEU 392 CO 0.35 -0.47 -1.10 -1.14 -1.33 0.00 0.00 177.39 173.70 3n3r n ARG 393 N -2.19 1.03 -0.00 3.23 0.63 -0.20 -2.72 116.66 116.44 3n3r n ARG 393 Ca 0.03 0.03 0.10 0.00 -0.92 0.00 0.00 57.85 57.09 3n3r n ARG 393 Cb 0.26 -1.44 -0.12 0.00 0.45 0.00 0.00 32.46 31.62 3n3r n ARG 393 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3n3r n PHE 394 N -2.78 0.01 -2.85 -0.14 3.01 -0.45 -4.47 117.46 109.79 3n3r n PHE 394 Ca -0.31 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.74 3n3r n PHE 394 Cb 1.01 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 40.35 3n3r n PHE 394 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3n3r s ASP 395 N -3.26 7.16 0.37 4.37 -1.08 -0.80 -4.81 116.67 118.62 3n3r s ASP 395 Ca 0.05 1.41 0.07 0.00 -0.52 0.00 0.00 52.55 53.57 3n3r s ASP 395 Cb 0.16 -2.50 0.73 0.00 -1.46 0.00 0.00 42.92 39.84 3n3r s ASP 395 CO 0.87 -0.26 1.91 -0.65 0.52 0.00 0.00 175.17 177.57 3n3r h PRO 396 N 6.91 0.37 -0.14 4.34 0.11 -1.90 0.47 132.00 142.16 3n3r h PRO 396 Ca -0.38 -0.08 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 3n3r h PRO 396 Cb 1.19 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.25 3n3r h PRO 396 CO 0.78 0.44 -0.67 0.00 -0.21 0.00 0.00 178.00 178.34 3n3r h ALA 397 N 1.60 0.27 -0.50 -0.75 0.00 -1.96 -3.04 119.26 114.88 3n3r h ALA 397 Ca 0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3n3r h ALA 397 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3n3r h ALA 397 CO 0.01 0.57 -0.03 1.88 0.00 0.00 0.00 179.25 181.68 3n3r h TYR 398 N 0.39 0.94 -0.73 0.00 0.99 -1.76 -2.97 116.97 113.83 3n3r h TYR 398 Ca -0.04 -0.15 0.06 0.00 2.00 0.00 0.00 58.73 60.59 3n3r h TYR 398 Cb 1.30 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 38.74 3n3r h TYR 398 CO 0.10 0.87 0.48 1.49 -0.00 0.00 0.00 178.16 181.10 3n3r h GLU 399 N 0.80 0.77 -0.37 4.88 4.22 -0.70 0.18 114.58 124.36 3n3r h GLU 399 Ca 0.15 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.43 3n3r h GLU 399 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3n3r h GLU 399 CO 0.03 0.51 -0.20 0.87 -2.18 0.00 0.00 179.01 178.04 3n3r h LYS 400 N 0.80 0.71 -0.07 1.92 1.57 -1.41 0.12 116.57 120.21 3n3r h LYS 400 Ca 0.31 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3n3r h LYS 400 Cb 0.21 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.48 3n3r h LYS 400 CO -0.10 0.86 -0.37 0.82 -0.57 0.00 0.00 179.45 180.09 3n3r h ILE 401 N 0.63 1.42 -0.80 1.86 2.04 -1.28 -1.88 117.51 119.49 3n3r h ILE 401 Ca 0.09 -1.78 0.10 0.00 1.00 0.00 0.00 64.86 64.27 3n3r h ILE 401 Cb 0.69 2.34 -0.07 0.00 -0.74 0.00 0.00 36.82 39.03 3n3r h ILE 401 CO 0.05 0.52 0.44 0.28 0.00 0.00 0.00 178.15 179.44 3n3r h SER 402 N -0.11 0.61 -0.45 1.72 0.02 -0.58 0.18 113.55 114.95 3n3r h SER 402 Ca -0.03 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 3n3r h SER 402 Cb 1.03 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3n3r h SER 402 CO 0.08 0.35 0.04 0.03 -1.14 0.00 0.00 176.83 176.19 3n3r h ARG 403 N 0.73 0.77 -0.67 3.45 3.08 -0.72 0.72 114.38 121.74 3n3r h ARG 403 Ca 0.39 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3n3r h ARG 403 Cb 0.38 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 3n3r h ARG 403 CO -0.26 0.81 0.43 -0.09 -1.07 0.00 0.00 179.97 179.79 3n3r h ARG 404 N 0.63 0.83 -0.31 0.04 2.43 -0.50 -0.91 114.38 116.59 3n3r h ARG 404 Ca 0.13 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3n3r h ARG 404 Cb 0.43 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3n3r h ARG 404 CO 0.01 0.55 -0.18 0.74 -1.51 0.00 0.00 179.97 179.58 3n3r h PHE 405 N 0.86 0.63 -0.67 2.20 0.05 -0.41 0.03 116.94 119.63 3n3r h PHE 405 Ca 0.26 -0.12 -0.07 0.00 3.82 0.00 0.00 57.97 61.87 3n3r h PHE 405 Cb -0.03 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 37.73 3n3r h PHE 405 CO -0.04 0.72 0.16 1.25 -0.18 0.00 0.00 178.31 180.22 3n3r h HIS 406 N 0.51 1.12 0.00 -0.55 2.76 -0.45 -2.99 115.15 115.55 3n3r h HIS 406 Ca 0.08 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.09 3n3r h HIS 406 Cb 0.60 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 3n3r h HIS 406 CO 0.02 0.92 -0.15 0.93 -1.30 0.00 0.00 177.93 178.36 3n3r h GLU 407 N 1.00 0.00 -2.27 5.26 5.08 -1.01 -3.39 114.58 119.25 3n3r h GLU 407 Ca 0.21 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.99 3n3r h GLU 407 Cb 0.37 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.23 3n3r h GLU 407 CO 0.00 0.15 -0.96 0.09 -1.00 0.00 0.00 179.01 177.29 3n3r n ASN 408 N -3.15 0.46 0.30 1.42 3.02 -0.02 -4.97 115.26 112.32 3n3r n ASN 408 Ca 0.03 -2.67 0.17 0.00 -0.03 0.00 0.00 54.58 52.08 3n3r n ASN 408 Cb 0.57 -0.62 0.93 0.00 -0.61 0.00 0.00 39.78 40.06 3n3r n ASN 408 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3n3r h PRO 409 N 4.85 0.00 -0.14 3.52 0.11 -1.73 0.78 132.00 139.40 3n3r h PRO 409 Ca 0.18 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 3n3r h PRO 409 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3n3r h PRO 409 CO 0.48 0.04 -0.32 1.05 -0.21 0.00 0.00 178.00 179.03 3n3r h GLU 410 N 0.00 0.27 -0.49 1.05 9.09 -1.93 -0.62 114.58 121.95 3n3r h GLU 410 Ca -0.00 -0.10 -0.09 0.00 0.05 0.00 0.00 59.36 59.21 3n3r h GLU 410 Cb 0.14 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.21 3n3r h GLU 410 CO 0.00 0.56 -0.05 1.96 0.05 0.00 0.00 179.01 181.54 3n3r h GLN 411 N 0.23 0.90 0.07 1.06 4.20 -1.19 -1.68 115.11 118.70 3n3r h GLN 411 Ca 0.03 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.44 3n3r h GLN 411 Cb 0.69 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3n3r h GLN 411 CO 0.05 0.96 -0.11 0.35 -0.67 0.00 0.00 178.83 179.41 3n3r h PHE 412 N 0.76 -0.29 -0.62 2.96 3.57 -1.15 0.07 116.94 122.24 3n3r h PHE 412 Ca 0.13 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3n3r h PHE 412 Cb 0.59 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3n3r h PHE 412 CO 0.04 -0.18 0.41 0.00 -2.23 0.00 0.00 178.31 176.35 3n3r h ALA 413 N 0.68 0.78 -0.30 2.41 0.00 -1.01 0.20 119.26 122.03 3n3r h ALA 413 Ca 0.02 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3n3r h ALA 413 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3n3r h ALA 413 CO -0.07 0.22 -0.40 0.22 0.00 0.00 0.00 179.25 179.22 3n3r h ASP 414 N 0.83 0.86 -0.74 0.00 -0.00 -1.23 -1.01 116.42 115.14 3n3r h ASP 414 Ca 0.23 -0.50 -0.06 0.00 -0.00 0.00 0.00 57.03 56.69 3n3r h ASP 414 Cb -0.09 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 38.96 3n3r h ASP 414 CO -0.05 1.19 0.22 0.00 -0.00 0.00 0.00 179.24 180.61 3n3r h ALA 415 N 0.69 0.99 -0.53 -0.78 0.00 -0.70 -1.08 119.26 117.86 3n3r h ALA 415 Ca 0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3n3r h ALA 415 Cb 0.99 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3n3r h ALA 415 CO 0.09 0.67 0.01 0.35 0.00 0.00 0.00 179.25 180.37 3n3r h PHE 416 N 1.11 1.01 -0.45 0.00 -0.00 -0.51 -0.10 116.94 117.99 3n3r h PHE 416 Ca 0.24 -0.17 0.02 0.00 -0.00 0.00 0.00 57.97 58.06 3n3r h PHE 416 Cb 0.32 -0.26 -0.03 0.00 -0.00 0.00 0.00 35.95 35.98 3n3r h PHE 416 CO 0.03 0.92 0.27 0.00 -0.00 0.00 0.00 178.31 179.53 3n3r h ALA 417 N 0.95 0.58 -0.41 2.41 0.00 -0.91 0.21 119.26 122.09 3n3r h ALA 417 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3n3r h ALA 417 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3n3r h ALA 417 CO 0.03 -0.04 -0.24 0.00 0.00 0.00 0.00 179.25 179.00 3n3r h ARG 418 N 0.55 0.88 0.00 0.00 3.08 -1.07 -2.27 114.38 115.55 3n3r h ARG 418 Ca 0.18 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 3n3r h ARG 418 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3n3r h ARG 418 CO -0.08 1.05 -0.41 0.00 -1.07 0.00 0.00 179.97 179.46 3n3r h ALA 419 N 0.81 1.30 -0.43 0.04 0.00 -0.68 -0.92 119.26 119.38 3n3r h ALA 419 Ca 0.09 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3n3r h ALA 419 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3n3r h ALA 419 CO 0.07 0.51 -0.29 2.35 0.00 0.00 0.00 179.25 181.88 3n3r h TRP 420 N 0.00 1.11 -0.31 0.00 2.91 -0.48 0.22 115.95 119.40 3n3r h TRP 420 Ca -0.00 -0.30 -0.07 0.00 1.13 0.00 0.00 58.89 59.65 3n3r h TRP 420 Cb 0.73 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 3n3r h TRP 420 CO 0.00 1.12 -0.09 0.35 -1.03 0.00 0.00 178.44 178.79 3n3r h PHE 421 N 0.80 0.69 0.20 2.65 3.57 -1.14 -1.81 116.94 121.90 3n3r h PHE 421 Ca 0.09 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 3n3r h PHE 421 Cb 0.87 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3n3r h PHE 421 CO 0.06 0.80 -0.13 -0.22 -2.23 0.00 0.00 178.31 176.58 3n3r h LYS 422 N 0.37 -0.32 -0.83 1.11 3.64 -0.93 -1.61 116.57 118.01 3n3r h LYS 422 Ca 0.08 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.67 3n3r h LYS 422 Cb 0.59 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.33 3n3r h LYS 422 CO 0.03 -0.21 -0.09 1.25 -2.27 0.00 0.00 179.45 178.16 3n3r h LEU 423 N -0.33 -0.57 -0.47 5.20 5.85 -0.45 0.29 115.31 124.82 3n3r h LEU 423 Ca -0.02 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3n3r h LEU 423 Cb 0.29 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3n3r h LEU 423 CO 0.01 -0.25 -0.20 0.35 -0.34 0.00 0.00 178.44 178.00 3n3r n THR 424 N -5.46 0.00 -0.24 1.05 -2.24 -0.69 -3.91 114.28 102.78 3n3r n THR 424 Ca 0.15 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3n3r n THR 424 Cb 0.50 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3n3r n THR 424 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3n3r n HIS 425 N -0.65 0.00 0.33 4.78 8.25 -0.63 -4.82 115.22 122.47 3n3r n HIS 425 Ca 0.13 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.80 3n3r n HIS 425 Cb 0.33 0.00 1.14 0.00 1.12 0.00 0.00 29.99 32.58 3n3r n HIS 425 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3n3r h ARG 426 N 0.00 0.00 -0.39 -0.41 0.11 -0.56 -1.13 114.38 112.00 3n3r h ARG 426 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3n3r h ARG 426 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3n3r h ARG 426 CO 0.00 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.67 3n3r n ASP 427 N -3.30 4.29 0.01 0.08 5.75 -1.26 -4.52 116.55 117.60 3n3r n ASP 427 Ca -0.03 -2.81 0.12 0.00 -0.01 0.00 0.00 54.79 52.06 3n3r n ASP 427 Cb 0.07 -0.54 0.17 0.00 -1.03 0.00 0.00 41.12 39.79 3n3r n ASP 427 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3n3r n MET 428 N 0.06 0.04 0.00 0.11 2.81 -0.43 -4.52 117.12 115.20 3n3r n MET 428 Ca 0.22 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3n3r n MET 428 Cb 0.91 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 3n3r n MET 428 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3r n GLY 429 N 1.48 -1.23 3.73 3.03 0.00 -1.15 -4.80 105.19 106.24 3n3r n GLY 429 Ca 0.05 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 3n3r n GLY 429 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n3r s PRO 430 N 0.00 2.44 0.64 1.61 0.02 -1.26 -4.85 135.00 133.60 3n3r s PRO 430 Ca 0.00 1.93 0.35 0.00 0.02 0.00 0.00 61.00 63.30 3n3r s PRO 430 Cb 0.00 -1.85 1.97 0.00 0.02 0.00 0.00 34.50 34.64 3n3r s PRO 430 CO 0.00 -1.65 2.18 0.00 -0.33 0.00 0.00 177.00 177.20 3n3r h ARG 431 N 0.27 0.00 -0.05 5.54 3.08 -1.90 0.03 114.38 121.35 3n3r h ARG 431 Ca -0.50 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.57 3n3r h ARG 431 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3n3r h ARG 431 CO 0.52 0.00 0.10 0.00 -1.07 0.00 0.00 179.97 179.52 3n3r h ALA 432 N 1.78 1.39 0.00 0.04 0.00 -1.93 -1.12 119.26 119.42 3n3r h ALA 432 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3n3r h ALA 432 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3n3r h ALA 432 CO -0.00 -0.13 -0.15 0.54 0.00 0.00 0.00 179.25 179.51 3n3r n ARG 433 N -3.42 0.23 -2.39 0.00 1.74 -0.00 -4.88 116.66 107.94 3n3r n ARG 433 Ca -0.02 0.16 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 3n3r n ARG 433 Cb 0.19 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 3n3r n ARG 433 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3n3r s TYR 434 N -3.10 3.32 0.18 -1.55 1.51 -0.42 -4.69 117.35 112.59 3n3r s TYR 434 Ca 0.10 1.21 0.11 0.00 -1.01 0.00 0.00 57.07 57.48 3n3r s TYR 434 Cb 0.13 -3.47 -0.04 0.00 -0.11 0.00 0.00 41.96 38.47 3n3r s TYR 434 CO 0.62 -1.49 -0.22 -0.51 -1.11 0.00 0.00 175.55 172.84 3n3r s LEU 435 N 1.41 2.51 0.00 -1.29 1.43 -0.50 -4.92 118.68 117.33 3n3r s LEU 435 Ca 0.59 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3n3r s LEU 435 Cb -0.29 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3n3r s LEU 435 CO 0.28 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.60 3n3r n GLY 436 N 0.35 0.38 0.11 -3.19 0.00 -1.26 -1.03 105.19 100.55 3n3r n GLY 436 Ca -0.13 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 43.98 3n3r n GLY 436 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3n3r n PRO 437 N 0.16 0.80 -0.32 1.61 -0.04 -1.26 -3.92 135.00 132.03 3n3r n PRO 437 Ca 0.00 -0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.31 3n3r n PRO 437 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 3n3r n PRO 437 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3n3r n GLU 438 N -0.91 2.82 -2.39 0.54 1.02 -1.26 -5.01 120.64 115.46 3n3r n GLU 438 Ca 0.17 -2.52 -0.42 0.00 -0.02 0.00 0.00 57.16 54.37 3n3r n GLU 438 Cb 0.25 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 3n3r n GLU 438 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3n3r s VAL 439 N -2.17 3.95 0.24 2.62 1.01 -1.11 -1.33 120.40 123.61 3n3r s VAL 439 Ca 0.34 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 3n3r s VAL 439 Cb 0.25 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 3n3r s VAL 439 CO 0.10 0.09 1.37 -2.84 0.00 0.00 0.00 175.10 173.82 3n3r s PRO 440 N 1.22 4.33 0.42 2.72 0.02 -1.26 -4.90 135.00 137.55 3n3r s PRO 440 Ca 0.59 2.18 0.19 0.00 0.02 0.00 0.00 61.00 63.99 3n3r s PRO 440 Cb -0.30 -3.14 0.95 0.00 0.02 0.00 0.00 34.50 32.03 3n3r s PRO 440 CO 0.29 -0.32 1.89 0.00 -0.33 0.00 0.00 177.00 178.53 3n3r h ALA 441 N 4.96 1.27 -2.55 -1.55 0.00 -1.93 -3.44 119.26 116.02 3n3r h ALA 441 Ca -0.46 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 53.67 3n3r h ALA 441 Cb 1.22 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.99 3n3r h ALA 441 CO 0.76 0.35 0.82 -2.00 0.00 0.00 0.00 179.25 179.18 3n3r s GLU 442 N -4.06 4.27 -0.11 0.00 2.12 -1.26 -4.98 118.70 114.68 3n3r s GLU 442 Ca -0.02 2.20 -0.25 0.00 0.36 0.00 0.00 54.97 57.26 3n3r s GLU 442 Cb 0.13 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 3n3r s GLU 442 CO 0.67 -0.54 0.81 0.08 -0.54 0.00 0.00 175.26 175.74 3n3r s VAL 443 N 1.35 4.93 -0.09 3.70 1.01 -1.26 -5.05 120.40 124.99 3n3r s VAL 443 Ca 0.68 1.64 0.00 0.00 0.00 0.00 0.00 61.98 64.30 3n3r s VAL 443 Cb -0.39 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 3n3r s VAL 443 CO 0.31 0.12 -0.08 -0.76 0.00 0.00 0.00 175.10 174.69 3n3r s LEU 444 N 1.50 3.05 0.48 3.92 1.43 -1.26 -5.02 118.68 122.79 3n3r s LEU 444 Ca 0.40 -0.12 0.20 0.00 -1.03 0.00 0.00 54.13 53.59 3n3r s LEU 444 Cb -0.18 -1.68 1.22 0.00 0.03 0.00 0.00 46.19 45.58 3n3r s LEU 444 CO 0.17 0.29 1.97 0.25 0.23 0.00 0.00 176.35 179.26 3n3r h LEU 445 N 5.79 0.19 -0.37 1.79 5.85 -1.96 -1.50 115.31 125.10 3n3r h LEU 445 Ca -0.41 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3n3r h LEU 445 Cb 1.18 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3n3r h LEU 445 CO 0.55 0.10 0.00 -2.67 -0.34 0.00 0.00 178.44 176.08 3n3r n TRP 446 N -4.43 0.59 1.44 1.25 4.27 -1.26 -1.63 117.44 117.67 3n3r n TRP 446 Ca 0.11 0.22 0.11 0.00 -3.89 0.00 0.00 57.50 54.05 3n3r n TRP 446 Cb 0.54 -0.85 0.67 0.00 -1.36 0.00 0.00 31.31 30.31 3n3r n TRP 446 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 3n3r n GLN 447 N -2.02 0.72 -3.77 -2.67 6.02 -0.56 -4.93 117.38 110.17 3n3r n GLN 447 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.68 3n3r n GLN 447 Cb 0.26 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 30.06 3n3r n GLN 447 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3n3r n ASP 448 N -0.99 -5.10 -4.76 1.08 8.00 -0.64 -4.65 116.55 109.48 3n3r n ASP 448 Ca 0.17 -1.06 -0.37 0.00 0.71 0.00 0.00 54.79 54.24 3n3r n ASP 448 Cb 0.08 -2.91 0.01 0.00 -0.02 0.00 0.00 41.12 38.28 3n3r n ASP 448 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3n3r s PRO 449 N -6.21 3.38 -0.13 -0.24 0.04 -1.26 -5.01 135.00 125.57 3n3r s PRO 449 Ca 0.44 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.34 3n3r s PRO 449 Cb -0.18 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 3n3r s PRO 449 CO 0.89 -0.89 -0.17 0.42 0.04 0.00 0.00 177.00 177.29 3n3r s ILE 450 N -1.55 2.59 0.61 0.56 -1.09 -1.26 -4.81 121.20 116.24 3n3r s ILE 450 Ca 0.70 -0.82 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 3n3r s ILE 450 Cb -0.30 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.49 3n3r s ILE 450 CO 0.35 0.53 1.27 -2.65 -1.23 0.00 0.00 174.94 173.21 3n3r n PRO 451 N 3.72 1.24 -1.63 2.79 -0.02 -1.26 -4.97 135.00 134.87 3n3r n PRO 451 Ca -0.19 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 3n3r n PRO 451 Cb 0.52 -2.49 0.07 0.00 -0.02 0.00 0.00 33.50 31.59 3n3r n PRO 451 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n3r s ALA 452 N -1.37 2.27 -0.15 3.55 0.00 -1.26 -4.75 121.76 120.05 3n3r s ALA 452 Ca 0.79 0.97 -0.18 0.00 0.00 0.00 0.00 51.96 53.54 3n3r s ALA 452 Cb -0.40 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3n3r s ALA 452 CO 0.44 -1.65 0.46 0.08 0.00 0.00 0.00 175.76 175.08 3n3r s VAL 453 N -1.79 5.19 -0.13 0.00 1.01 -1.26 -4.96 120.40 118.46 3n3r s VAL 453 Ca 0.76 0.89 0.17 0.00 0.00 0.00 0.00 61.98 63.80 3n3r s VAL 453 Cb -0.31 -3.79 0.43 0.00 0.00 0.00 0.00 36.38 32.71 3n3r s VAL 453 CO 0.41 0.30 1.20 -0.90 0.00 0.00 0.00 175.10 176.11 3n3r n ASP 454 N 3.96 1.58 -3.78 3.32 5.68 -1.26 -5.03 116.55 121.02 3n3r n ASP 454 Ca -0.07 -3.11 -0.10 0.00 -0.50 0.00 0.00 54.79 51.02 3n3r n ASP 454 Cb 0.51 -0.43 -0.06 0.00 -1.14 0.00 0.00 41.12 40.00 3n3r n ASP 454 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 3n3r s HIS 455 N -2.03 0.01 0.41 2.11 -3.43 -1.26 -5.10 115.29 106.01 3n3r s HIS 455 Ca 0.37 -0.38 -0.25 0.00 -0.80 0.00 0.00 55.06 54.00 3n3r s HIS 455 Cb 0.38 0.06 -0.10 0.00 -1.43 0.00 0.00 32.58 31.48 3n3r s HIS 455 CO -0.10 -0.59 1.12 -2.30 -2.00 0.00 0.00 174.74 170.87 3n3r n PRO 456 N -0.04 1.59 -3.06 -0.38 -0.02 -1.26 -4.95 135.00 126.88 3n3r n PRO 456 Ca -0.16 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 3n3r n PRO 456 Cb 0.62 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 3n3r n PRO 456 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3n3r s LEU 457 N -0.95 3.87 0.51 2.45 1.43 -1.26 -3.49 118.68 121.24 3n3r s LEU 457 Ca 0.62 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 3n3r s LEU 457 Cb -0.55 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 41.99 3n3r s LEU 457 CO 0.57 -0.38 1.34 0.27 0.23 0.00 0.00 176.35 178.38 3n3r s ILE 458 N -2.42 2.23 0.00 -0.59 -4.36 -1.26 -4.97 121.20 109.83 3n3r s ILE 458 Ca 0.44 0.18 0.00 0.00 -0.26 0.00 0.00 60.65 61.01 3n3r s ILE 458 Cb -0.10 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.51 3n3r s ILE 458 CO 0.38 0.00 0.00 -0.90 0.24 0.00 0.00 174.94 174.66 3n3r n ASP 459 N -0.78 0.52 -0.02 4.36 5.68 -1.26 -4.85 116.55 120.20 3n3r n ASP 459 Ca 0.09 -0.97 -0.04 0.00 -0.50 0.00 0.00 54.79 53.37 3n3r n ASP 459 Cb 0.45 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.62 3n3r n ASP 459 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n3r h ALA 460 N 0.59 1.10 -0.59 2.12 0.00 -1.99 0.19 119.26 120.68 3n3r h ALA 460 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3n3r h ALA 460 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3n3r h ALA 460 CO 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.78 3n3r h ALA 461 N 1.29 0.80 -0.66 0.00 0.00 -2.00 -1.85 119.26 116.85 3n3r h ALA 461 Ca 0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3n3r h ALA 461 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3n3r h ALA 461 CO 0.04 0.65 0.23 -0.44 0.00 0.00 0.00 179.25 179.74 3n3r h ASP 462 N 0.95 0.93 -0.78 0.00 3.32 -1.87 -1.32 116.42 117.66 3n3r h ASP 462 Ca 0.16 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3n3r h ASP 462 Cb 0.58 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3n3r h ASP 462 CO 0.03 0.87 0.46 0.00 -1.72 0.00 0.00 179.24 178.88 3n3r h ALA 463 N 1.10 1.33 -0.53 3.45 0.00 -0.74 0.12 119.26 123.98 3n3r h ALA 463 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3n3r h ALA 463 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3n3r h ALA 463 CO -0.01 0.57 -0.09 0.00 0.00 0.00 0.00 179.25 179.72 3n3r h ALA 464 N 1.42 0.72 -0.28 0.00 0.00 -1.07 0.18 119.26 120.22 3n3r h ALA 464 Ca 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3n3r h ALA 464 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3n3r h ALA 464 CO -0.05 0.62 0.12 1.49 0.00 0.00 0.00 179.25 181.43 3n3r h GLU 465 N 0.86 0.41 -0.54 0.00 4.81 -0.64 -1.11 114.58 118.36 3n3r h GLU 465 Ca 0.14 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3n3r h GLU 465 Cb 0.65 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3n3r h GLU 465 CO 0.04 0.41 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.57 3n3r h LEU 466 N 0.31 1.00 -1.04 1.64 3.38 -0.56 -1.44 115.31 118.60 3n3r h LEU 466 Ca 0.09 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3n3r h LEU 466 Cb 0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3n3r h LEU 466 CO -0.01 1.10 0.47 0.11 0.09 0.00 0.00 178.44 180.20 3n3r h LYS 467 N 0.90 1.13 -0.55 1.13 1.57 -0.79 -0.14 116.57 119.81 3n3r h LYS 467 Ca 0.14 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 3n3r h LYS 467 Cb 0.65 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3n3r h LYS 467 CO 0.04 0.81 -0.07 0.00 -0.57 0.00 0.00 179.45 179.67 3n3r h ALA 468 N 1.37 0.83 -0.59 3.86 0.00 -0.84 -1.00 119.26 122.89 3n3r h ALA 468 Ca 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3n3r h ALA 468 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3n3r h ALA 468 CO -0.05 0.66 0.36 0.87 0.00 0.00 0.00 179.25 181.09 3n3r h LYS 469 N 0.91 0.81 -0.31 0.00 1.79 -0.81 0.89 116.57 119.84 3n3r h LYS 469 Ca 0.15 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3n3r h LYS 469 Cb 0.62 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 3n3r h LYS 469 CO 0.04 0.58 0.20 0.28 -1.08 0.00 0.00 179.45 179.47 3n3r h VAL 470 N 0.80 1.09 -0.09 0.50 2.07 -0.73 -1.81 116.25 118.09 3n3r h VAL 470 Ca 0.21 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 3n3r h VAL 470 Cb -0.02 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3n3r h VAL 470 CO -0.04 0.09 -0.31 -0.07 0.02 0.00 0.00 177.57 177.26 3n3r h LEU 471 N 0.41 0.16 -0.15 2.57 3.38 -0.92 -2.53 115.31 118.23 3n3r h LEU 471 Ca 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3n3r h LEU 471 Cb -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3n3r h LEU 471 CO -0.02 0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3n3r h ALA 472 N 1.55 1.00 0.00 1.53 0.00 -0.52 -3.17 119.26 119.64 3n3r h ALA 472 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3n3r h ALA 472 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3n3r h ALA 472 CO 0.05 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.96 3n3r h SER 473 N 0.00 0.00 0.00 0.00 4.64 -0.87 -3.47 113.55 113.85 3n3r h SER 473 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3r h SER 473 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3n3r h SER 473 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3n3r n GLY 474 N -0.26 1.12 3.69 -0.77 0.00 -1.20 -5.06 105.19 102.71 3n3r n GLY 474 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3n3r n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n3r n LEU 475 N 0.00 3.56 -4.96 0.99 4.77 -1.26 -4.98 117.00 115.12 3n3r n LEU 475 Ca 0.00 1.16 -0.22 0.00 -0.03 0.00 0.00 56.01 56.92 3n3r n LEU 475 Cb 0.00 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.63 3n3r n LEU 475 CO 0.00 -0.65 0.26 0.42 -1.33 0.00 0.00 177.39 176.09 3n3r s THR 476 N -1.14 3.78 0.15 -5.08 -4.23 -1.26 -4.85 115.64 103.02 3n3r s THR 476 Ca 0.58 -0.60 -0.18 0.00 -1.18 0.00 0.00 61.69 60.31 3n3r s THR 476 Cb -0.55 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 69.94 3n3r s THR 476 CO 0.60 -0.25 1.70 0.58 -0.54 0.00 0.00 174.62 176.71 3n3r h VAL 477 N 0.42 0.73 -0.45 2.29 2.07 -1.90 -0.21 116.25 119.19 3n3r h VAL 477 Ca -0.45 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.10 3n3r h VAL 477 Cb 1.26 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3n3r h VAL 477 CO 0.56 0.01 0.18 -1.28 0.02 0.00 0.00 177.57 177.05 3n3r h SER 478 N 0.06 0.21 -0.62 0.57 0.87 -1.86 0.12 113.55 112.90 3n3r h SER 478 Ca 0.16 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3n3r h SER 478 Cb 0.23 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 3n3r h SER 478 CO -0.29 0.15 0.11 1.56 -0.53 0.00 0.00 176.83 177.83 3n3r h GLN 479 N 0.36 1.04 -0.16 2.24 4.20 -1.66 -0.68 115.11 120.44 3n3r h GLN 479 Ca 0.21 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 3n3r h GLN 479 Cb 0.19 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3n3r h GLN 479 CO -0.20 0.95 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.44 3n3r h LEU 480 N 0.98 0.62 -0.29 1.46 3.38 -0.62 -1.99 115.31 118.85 3n3r h LEU 480 Ca 0.20 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 3n3r h LEU 480 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3n3r h LEU 480 CO 0.01 1.09 -0.17 0.58 0.09 0.00 0.00 178.44 180.04 3n3r h VAL 481 N 0.19 1.30 -0.69 1.22 2.07 -0.76 -2.31 116.25 117.27 3n3r h VAL 481 Ca -0.00 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.26 3n3r h VAL 481 Cb 1.00 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3n3r h VAL 481 CO 0.09 0.41 0.43 0.28 0.02 0.00 0.00 177.57 178.80 3n3r h SER 482 N 0.37 0.71 -0.42 0.57 0.02 -1.12 0.20 113.55 113.88 3n3r h SER 482 Ca 0.06 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3n3r h SER 482 Cb 0.70 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3n3r h SER 482 CO 0.05 0.49 -0.15 0.74 -1.14 0.00 0.00 176.83 176.82 3n3r h THR 483 N 0.85 1.28 -0.04 -2.27 2.02 -1.33 -0.26 112.91 113.16 3n3r h THR 483 Ca 0.28 -1.27 -0.16 0.00 0.77 0.00 0.00 66.41 66.02 3n3r h THR 483 Cb 0.01 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3n3r h THR 483 CO -0.10 0.43 -0.71 0.00 0.37 0.00 0.00 175.52 175.50 3n3r h ALA 484 N 0.84 0.73 -0.10 6.16 0.00 -1.23 -1.43 119.26 124.22 3n3r h ALA 484 Ca 0.10 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3n3r h ALA 484 Cb 0.69 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3n3r h ALA 484 CO 0.05 0.81 0.06 2.35 0.00 0.00 0.00 179.25 182.52 3n3r h TRP 485 N 0.13 0.13 -0.76 0.00 2.91 -0.84 -0.60 115.95 116.93 3n3r h TRP 485 Ca -0.02 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.08 3n3r h TRP 485 Cb 1.26 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.82 3n3r h TRP 485 CO 0.02 0.14 0.50 0.00 -1.03 0.00 0.00 178.44 178.07 3n3r h ALA 486 N 0.98 1.72 -0.10 2.65 0.00 -0.76 -0.48 119.26 123.27 3n3r h ALA 486 Ca 0.04 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 3n3r h ALA 486 Cb 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3n3r h ALA 486 CO -0.01 0.14 -0.81 0.00 0.00 0.00 0.00 179.25 178.58 3n3r h ALA 487 N 1.60 0.24 0.00 0.00 0.00 -0.87 -3.35 119.26 116.88 3n3r h ALA 487 Ca 0.34 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 3n3r h ALA 487 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3n3r h ALA 487 CO -0.12 0.63 -1.38 0.00 0.00 0.00 0.00 179.25 178.38 3n3r h ALA 488 N 0.49 0.67 -0.35 0.00 0.00 -0.88 -2.96 119.26 116.23 3n3r h ALA 488 Ca -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3n3r h ALA 488 Cb 1.45 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3n3r h ALA 488 CO 0.16 0.99 0.00 -1.13 0.00 0.00 0.00 179.25 179.28 3n3r n SER 489 N -2.94 1.86 0.00 0.00 3.41 -0.21 -2.67 113.62 113.07 3n3r n SER 489 Ca -0.10 -2.00 0.12 0.00 -0.26 0.00 0.00 58.87 56.63 3n3r n SER 489 Cb 0.86 -0.23 0.53 0.00 -0.26 0.00 0.00 64.21 65.11 3n3r n SER 489 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3n3r n THR 490 N 0.51 0.29 -1.98 6.66 -2.24 -1.26 -4.86 114.28 111.41 3n3r n THR 490 Ca 0.12 0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.58 3n3r n THR 490 Cb 0.29 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 3n3r n THR 490 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3n3r s PHE 491 N -3.00 2.64 -0.02 4.78 5.36 -1.09 -4.12 117.98 122.53 3n3r s PHE 491 Ca 0.12 1.39 0.01 0.00 -0.96 0.00 0.00 56.93 57.49 3n3r s PHE 491 Cb 0.16 -3.70 0.02 0.00 -0.34 0.00 0.00 43.02 39.16 3n3r s PHE 491 CO 0.45 -2.34 -0.01 -0.98 -1.46 0.00 0.00 175.22 170.89 3n3r s ARG 492 N -2.50 0.25 0.00 10.12 1.70 -0.20 -4.41 118.95 123.92 3n3r s ARG 492 Ca 0.62 0.03 0.24 0.00 -0.47 0.00 0.00 55.73 56.15 3n3r s ARG 492 Cb -0.38 -0.38 1.01 0.00 -0.57 0.00 0.00 34.95 34.63 3n3r s ARG 492 CO 0.48 -0.08 1.76 0.41 -1.08 0.00 0.00 175.30 176.79 3n3r n GLY 493 N 3.80 -1.32 0.09 3.88 0.00 0.77 -0.42 105.19 112.00 3n3r n GLY 493 Ca -0.23 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3n3r n GLY 493 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3n3r h SER 494 N 0.00 0.19 0.00 1.61 4.64 -1.84 -3.34 113.55 114.81 3n3r h SER 494 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3n3r h SER 494 Cb 0.41 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3n3r h SER 494 CO 0.00 0.23 0.00 -0.90 -0.87 0.00 0.00 176.83 175.29 3n3r n ASP 495 N -4.92 1.02 -1.61 4.97 5.75 -1.22 -4.77 116.55 115.77 3n3r n ASP 495 Ca -0.05 -1.36 -0.16 0.00 -0.01 0.00 0.00 54.79 53.21 3n3r n ASP 495 Cb 0.08 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 3n3r n ASP 495 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3n3r n LYS 496 N -0.18 -1.24 -2.97 0.11 5.02 0.44 -2.95 118.16 116.39 3n3r n LYS 496 Ca 0.00 0.92 -0.26 0.00 -2.02 0.00 0.00 58.31 56.96 3n3r n LYS 496 Cb 0.22 -5.24 -0.01 0.00 -0.02 0.00 0.00 35.03 29.98 3n3r n LYS 496 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3n3r s ARG 497 N -4.20 3.50 0.41 1.97 0.52 -1.21 -4.24 118.95 115.70 3n3r s ARG 497 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 3n3r s ARG 497 Cb 0.00 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.96 3n3r s ARG 497 CO 0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.68 3n3r n GLY 498 N -2.05 -2.30 0.00 -3.53 0.00 -1.26 -1.04 105.19 95.01 3n3r n GLY 498 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3n3r n GLY 498 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3r n GLY 499 N -0.18 1.42 0.08 -0.02 0.00 -1.26 -4.49 105.19 100.75 3n3r n GLY 499 Ca 0.00 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.08 3n3r n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r n ALA 500 N 1.10 2.48 -1.76 4.61 0.00 -1.12 -4.71 120.51 121.11 3n3r n ALA 500 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 3n3r n ALA 500 Cb 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.07 3n3r n ALA 500 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3n3r s ASN 501 N -4.31 5.98 0.00 0.00 2.47 -1.26 -2.54 114.94 115.28 3n3r s ASN 501 Ca 0.10 2.66 0.00 0.00 0.42 0.00 0.00 52.86 56.04 3n3r s ASN 501 Cb 0.13 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 3n3r s ASN 501 CO 0.63 -1.08 0.00 0.61 -3.72 0.00 0.00 177.10 173.54 3n3r n GLY 502 N 0.63 1.87 4.14 1.21 0.00 0.20 -4.50 105.19 108.73 3n3r n GLY 502 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3n3r n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r n ALA 503 N -1.53 -1.30 0.67 4.61 0.00 -1.05 -0.71 120.51 121.20 3n3r n ALA 503 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.56 3n3r n ALA 503 Cb 0.00 -3.66 0.40 0.00 0.00 0.00 0.00 19.45 16.20 3n3r n ALA 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n3r n ARG 504 N -4.46 0.03 0.29 0.00 1.74 -1.26 -2.32 116.66 110.69 3n3r n ARG 504 Ca 0.05 0.17 0.16 0.00 -0.77 0.00 0.00 57.85 57.47 3n3r n ARG 504 Cb 0.51 -1.50 0.88 0.00 -1.02 0.00 0.00 32.46 31.33 3n3r n ARG 504 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3n3r h ILE 505 N 0.00 0.35 -0.00 0.55 2.10 -1.92 -1.56 117.51 117.03 3n3r h ILE 505 Ca 0.00 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.64 3n3r h ILE 505 Cb 0.30 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 3n3r h ILE 505 CO 0.00 0.05 -0.29 -2.11 -1.08 0.00 0.00 178.15 174.73 3n3r n ARG 506 N -3.48 0.25 -3.36 2.19 1.85 -0.98 -2.82 116.66 110.32 3n3r n ARG 506 Ca -0.02 -0.11 -0.19 0.00 -1.00 0.00 0.00 57.85 56.53 3n3r n ARG 506 Cb 0.18 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.08 3n3r n ARG 506 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3n3r s LEU 507 N -2.83 3.69 0.43 2.89 1.43 -0.59 -4.80 118.68 118.90 3n3r s LEU 507 Ca 0.17 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.60 3n3r s LEU 507 Cb 0.19 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 3n3r s LEU 507 CO 0.60 -0.59 1.13 0.00 0.23 0.00 0.00 176.35 177.72 3n3r s ALA 508 N -2.32 3.05 -1.88 4.21 0.00 -1.26 -1.20 121.76 122.36 3n3r s ALA 508 Ca 0.49 0.87 0.25 0.00 0.00 0.00 0.00 51.96 53.57 3n3r s ALA 508 Cb -0.08 -3.35 0.51 0.00 0.00 0.00 0.00 23.12 20.20 3n3r s ALA 508 CO 0.31 -0.49 1.41 -0.35 0.00 0.00 0.00 175.76 176.64 3n3r n PRO 509 N -0.23 1.00 0.04 0.00 -0.04 -1.26 -4.78 135.00 129.72 3n3r n PRO 509 Ca 0.06 -0.68 0.02 0.00 -0.04 0.00 0.00 63.50 62.86 3n3r n PRO 509 Cb 0.48 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 32.84 3n3r n PRO 509 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3n3r h GLN 510 N 1.67 0.44 0.00 0.54 4.20 -1.60 -0.35 115.11 120.01 3n3r h GLN 510 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3n3r h GLN 510 Cb 0.59 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3n3r h GLN 510 CO 0.00 0.41 0.00 1.57 -0.67 0.00 0.00 178.83 180.14 3n3r h LYS 511 N 0.44 0.00 -0.01 1.46 2.10 -0.99 -2.54 116.57 117.02 3n3r h LYS 511 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3n3r h LYS 511 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3n3r h LYS 511 CO -0.00 0.00 -0.15 -0.25 -2.00 0.00 0.00 179.45 177.05 3n3r n ASP 512 N -2.42 1.62 -4.73 7.07 8.00 -0.15 -4.44 116.55 121.49 3n3r n ASP 512 Ca -0.01 -1.31 -0.42 0.00 0.71 0.00 0.00 54.79 53.77 3n3r n ASP 512 Cb 0.10 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3n3r n ASP 512 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3n3r s TRP 513 N -1.34 3.17 0.25 1.24 0.51 -0.96 -4.85 118.94 116.96 3n3r s TRP 513 Ca 0.12 1.05 -0.04 0.00 -2.12 0.00 0.00 56.10 55.10 3n3r s TRP 513 Cb 0.10 -3.71 0.48 0.00 -0.81 0.00 0.00 33.47 29.52 3n3r s TRP 513 CO 0.24 -2.36 1.71 1.49 -0.51 0.00 0.00 176.95 177.53 3n3r h GLU 514 N 5.77 0.37 0.00 4.98 4.81 -1.93 -0.10 114.58 128.47 3n3r h GLU 514 Ca -0.44 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3n3r h GLU 514 Cb 1.21 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3n3r h GLU 514 CO 0.81 0.25 -0.02 0.00 -0.73 0.00 0.00 179.01 179.32 3n3r h ALA 515 N 1.58 1.48 -0.01 2.92 0.00 -1.91 -1.05 119.26 122.27 3n3r h ALA 515 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3n3r h ALA 515 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3n3r h ALA 515 CO -0.44 0.02 -0.06 0.09 0.00 0.00 0.00 179.25 178.86 3n3r n ASN 516 N -3.80 0.89 -3.28 0.00 3.02 -0.06 -4.87 115.26 107.15 3n3r n ASN 516 Ca -0.03 -1.11 -0.13 0.00 -0.03 0.00 0.00 54.58 53.28 3n3r n ASN 516 Cb 0.10 -0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.31 3n3r n ASN 516 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3r n GLN 517 N -0.43 -1.74 -0.31 3.52 6.02 -0.40 -4.24 117.38 119.80 3n3r n GLN 517 Ca 0.18 1.02 0.14 0.00 -0.01 0.00 0.00 57.00 58.33 3n3r n GLN 517 Cb 0.28 -5.38 0.32 0.00 1.02 0.00 0.00 30.24 26.49 3n3r n GLN 517 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3n3r h PRO 518 N -0.64 0.44 -0.32 -1.09 0.11 -1.78 0.21 132.00 128.93 3n3r h PRO 518 Ca -0.41 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 3n3r h PRO 518 Cb 1.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3n3r h PRO 518 CO 0.40 0.29 -0.15 0.93 -0.21 0.00 0.00 178.00 179.26 3n3r h GLU 519 N 0.45 0.66 -0.39 1.05 4.39 -1.89 -0.62 114.58 118.22 3n3r h GLU 519 Ca 0.57 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.93 3n3r h GLU 519 Cb 1.08 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 3n3r h GLU 519 CO -0.51 0.87 -0.00 0.37 -1.16 0.00 0.00 179.01 178.58 3n3r h GLN 520 N 0.43 0.69 -0.70 2.33 4.15 -1.33 -2.60 115.11 118.07 3n3r h GLN 520 Ca 0.07 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.31 3n3r h GLN 520 Cb 0.67 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.25 3n3r h GLN 520 CO 0.05 0.78 0.43 1.25 -1.93 0.00 0.00 178.83 179.41 3n3r h LEU 521 N 0.51 0.69 -1.13 -2.39 5.85 -0.54 -1.79 115.31 116.51 3n3r h LEU 521 Ca 0.11 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3n3r h LEU 521 Cb 0.47 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3n3r h LEU 521 CO 0.02 0.47 0.59 0.00 -0.34 0.00 0.00 178.44 179.17 3n3r h ALA 522 N 1.31 1.37 -0.30 1.25 0.00 -0.97 -0.05 119.26 121.87 3n3r h ALA 522 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3n3r h ALA 522 Cb 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3n3r h ALA 522 CO -0.13 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.81 3n3r h ALA 523 N 1.45 0.39 -0.23 0.00 0.00 -1.04 -0.83 119.26 118.99 3n3r h ALA 523 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3n3r h ALA 523 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3n3r h ALA 523 CO -0.07 0.02 0.10 0.28 0.00 0.00 0.00 179.25 179.58 3n3r h VAL 524 N 0.33 1.16 -0.36 0.00 2.07 -0.75 -2.32 116.25 116.38 3n3r h VAL 524 Ca 0.10 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3n3r h VAL 524 Cb 0.23 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3n3r h VAL 524 CO -0.00 0.16 0.08 -0.07 0.02 0.00 0.00 177.57 177.76 3n3r h LEU 525 N 0.23 0.48 -0.47 2.57 3.38 -0.95 0.49 115.31 121.04 3n3r h LEU 525 Ca 0.08 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3n3r h LEU 525 Cb 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3n3r h LEU 525 CO -0.01 0.50 -0.08 -0.08 0.09 0.00 0.00 178.44 178.86 3n3r h GLU 526 N 0.52 0.89 -0.19 1.13 4.81 -0.90 0.52 114.58 121.35 3n3r h GLU 526 Ca 0.12 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3n3r h GLU 526 Cb 0.21 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3n3r h GLU 526 CO -0.00 0.96 0.00 1.15 -0.73 0.00 0.00 179.01 180.39 3n3r h THR 527 N 0.73 1.25 -0.50 0.32 2.02 -1.03 -2.10 112.91 113.61 3n3r h THR 527 Ca 0.12 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3n3r h THR 527 Cb 0.61 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3n3r h THR 527 CO 0.04 0.26 0.23 -0.07 0.37 0.00 0.00 175.52 176.35 3n3r h LEU 528 N 0.10 0.63 -0.85 2.58 3.38 -0.73 -2.01 115.31 118.41 3n3r h LEU 528 Ca 0.06 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3n3r h LEU 528 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3n3r h LEU 528 CO 0.01 0.55 -0.48 -0.33 0.09 0.00 0.00 178.44 178.27 3n3r h GLU 529 N 0.70 0.22 -0.16 1.13 5.08 -0.83 0.68 114.58 121.41 3n3r h GLU 529 Ca 0.18 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 3n3r h GLU 529 Cb 0.09 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3n3r h GLU 529 CO -0.02 0.66 -0.63 0.00 -1.00 0.00 0.00 179.01 178.01 3n3r h ALA 530 N 1.32 0.59 -0.28 3.43 0.00 -0.84 0.88 119.26 124.37 3n3r h ALA 530 Ca 0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3n3r h ALA 530 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3n3r h ALA 530 CO 0.07 0.71 0.09 0.82 0.00 0.00 0.00 179.25 180.94 3n3r h ILE 531 N 0.42 1.20 -0.13 0.00 2.04 -0.95 -2.02 117.51 118.08 3n3r h ILE 531 Ca -0.01 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.24 3n3r h ILE 531 Cb 1.21 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3n3r h ILE 531 CO 0.12 0.21 -0.05 -0.09 0.00 0.00 0.00 178.15 178.34 3n3r h ARG 532 N 0.29 -0.04 -0.66 2.37 2.43 -0.61 -0.68 114.38 117.49 3n3r h ARG 532 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3n3r h ARG 532 Cb 0.24 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3n3r h ARG 532 CO -0.00 -0.02 0.39 1.15 -1.51 0.00 0.00 179.97 179.97 3n3r h THR 533 N -0.04 1.19 -0.43 0.20 2.02 -0.66 0.44 112.91 115.63 3n3r h THR 533 Ca 0.07 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3n3r h THR 533 Cb 0.14 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3n3r h THR 533 CO -0.15 0.20 0.14 0.00 0.37 0.00 0.00 175.52 176.08 3n3r h ALA 534 N 1.20 0.57 -0.23 6.16 0.00 -1.24 -0.47 119.26 125.25 3n3r h ALA 534 Ca 0.23 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3n3r h ALA 534 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3n3r h ALA 534 CO -0.04 0.21 -0.14 0.35 0.00 0.00 0.00 179.25 179.62 3n3r h PHE 535 N 0.56 0.59 0.00 0.00 3.57 -0.87 -2.69 116.94 118.09 3n3r h PHE 535 Ca 0.14 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3n3r h PHE 535 Cb 0.25 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3n3r h PHE 535 CO 0.01 0.80 -0.33 -0.91 -2.23 0.00 0.00 178.31 175.64 3n3r h ASN 536 N 0.21 0.00 1.45 0.41 2.35 -0.78 -2.45 115.58 116.76 3n3r h ASN 536 Ca 0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 3n3r h ASN 536 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 3n3r h ASN 536 CO 0.04 0.33 -0.22 1.23 -1.65 0.00 0.00 177.43 177.16 3n3r h GLY 537 N 1.61 0.00 0.49 2.83 0.00 -0.87 -2.86 103.07 104.28 3n3r h GLY 537 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n3r h GLY 537 CO 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.41 3n3r n ALA 538 N -2.17 2.90 -2.26 3.60 0.00 -0.93 -4.96 120.51 116.68 3n3r n ALA 538 Ca 0.02 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 3n3r n ALA 538 Cb 0.55 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 3n3r n ALA 538 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3n3r s GLN 539 N -2.45 3.71 0.12 0.00 -1.52 -1.08 -5.10 119.66 113.34 3n3r s GLN 539 Ca 0.28 0.33 0.04 0.00 -1.95 0.00 0.00 55.36 54.06 3n3r s GLN 539 Cb 0.20 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.51 3n3r s GLN 539 CO 0.49 -0.01 0.12 1.03 -0.25 0.00 0.00 175.29 176.66 3n3r s ARG 540 N -3.92 2.93 -0.49 2.91 1.81 -1.26 -4.82 118.95 116.10 3n3r s ARG 540 Ca 0.49 -0.75 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 3n3r s ARG 540 Cb -0.10 -2.72 0.00 0.00 -0.45 0.00 0.00 34.95 31.68 3n3r s ARG 540 CO 0.33 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.89 3n3r n GLY 541 N 0.09 0.74 1.61 -3.53 0.00 -1.26 -2.62 105.19 100.22 3n3r n GLY 541 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3n3r n GLY 541 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3r n GLY 542 N -2.27 1.13 3.76 -0.02 0.00 -1.26 -4.73 105.19 101.80 3n3r n GLY 542 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3n3r n GLY 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n3r s LYS 543 N -0.46 4.40 0.13 1.61 2.20 -1.08 -4.45 119.74 122.09 3n3r s LYS 543 Ca 0.00 2.14 -0.15 0.00 -0.36 0.00 0.00 55.97 57.60 3n3r s LYS 543 Cb 0.00 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 3n3r s LYS 543 CO 0.00 -0.15 0.38 1.14 -0.36 0.00 0.00 175.35 176.36 3n3r s GLN 544 N -1.44 1.08 -0.08 4.03 -2.07 -1.23 -4.76 119.66 115.19 3n3r s GLN 544 Ca 0.50 -0.79 -0.00 0.00 -1.82 0.00 0.00 55.36 53.24 3n3r s GLN 544 Cb -0.38 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 31.96 3n3r s GLN 544 CO 0.49 -0.42 -0.04 0.54 -1.32 0.00 0.00 175.29 174.54 3n3r s VAL 545 N -3.83 3.95 0.62 3.63 0.11 -1.26 -4.45 120.40 119.16 3n3r s VAL 545 Ca 0.05 -0.38 -0.12 0.00 -2.93 0.00 0.00 61.98 58.59 3n3r s VAL 545 Cb 0.02 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 3n3r s VAL 545 CO -0.10 0.60 1.03 -0.94 -3.33 0.00 0.00 175.10 172.36 3n3r s SER 546 N -0.81 6.11 0.28 3.54 1.04 -1.26 -4.94 113.70 117.66 3n3r s SER 546 Ca 0.12 1.50 0.05 0.00 0.48 0.00 0.00 55.95 58.10 3n3r s SER 546 Cb -0.11 -2.48 0.41 0.00 0.10 0.00 0.00 66.02 63.94 3n3r s SER 546 CO 0.02 -0.95 1.69 0.25 0.98 0.00 0.00 173.24 175.23 3n3r h LEU 547 N -0.15 0.34 -0.52 2.42 5.85 -1.93 -1.35 115.31 119.97 3n3r h LEU 547 Ca -0.45 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.18 3n3r h LEU 547 Cb 1.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3n3r h LEU 547 CO 0.61 0.70 0.28 0.00 -0.34 0.00 0.00 178.44 179.68 3n3r h ALA 548 N 1.32 0.67 -0.45 1.25 0.00 -1.87 0.39 119.26 120.57 3n3r h ALA 548 Ca 0.03 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3n3r h ALA 548 Cb 0.81 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3n3r h ALA 548 CO 0.06 -0.05 -0.23 -0.44 0.00 0.00 0.00 179.25 178.59 3n3r h ASP 549 N 0.55 0.95 0.00 0.00 3.32 -1.76 -2.95 116.42 116.54 3n3r h ASP 549 Ca 0.22 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 3n3r h ASP 549 Cb 0.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3n3r h ASP 549 CO -0.14 1.14 -0.27 0.25 -1.72 0.00 0.00 179.24 178.50 3n3r h LEU 550 N 0.80 0.42 -0.50 1.55 5.85 -0.60 0.26 115.31 123.09 3n3r h LEU 550 Ca 0.10 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3n3r h LEU 550 Cb 0.79 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3n3r h LEU 550 CO 0.07 0.69 0.20 0.40 -0.34 0.00 0.00 178.44 179.46 3n3r h ILE 551 N 0.37 1.21 -0.41 4.05 2.04 -0.88 0.19 117.51 124.07 3n3r h ILE 551 Ca 0.05 -0.65 -0.13 0.00 1.00 0.00 0.00 64.86 65.13 3n3r h ILE 551 Cb 0.67 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3n3r h ILE 551 CO 0.05 0.25 -0.24 0.58 0.00 0.00 0.00 178.15 178.78 3n3r h VAL 552 N 0.67 1.28 -0.27 1.67 2.07 -1.28 -1.96 116.25 118.43 3n3r h VAL 552 Ca 0.17 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 3n3r h VAL 552 Cb 0.19 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3n3r h VAL 552 CO -0.01 0.47 -0.16 0.25 0.02 0.00 0.00 177.57 178.13 3n3r h LEU 553 N 0.71 0.47 -0.89 2.57 5.85 -0.28 -1.13 115.31 122.61 3n3r h LEU 553 Ca 0.09 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.56 3n3r h LEU 553 Cb 0.82 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3n3r h LEU 553 CO 0.07 0.65 -0.43 0.00 -0.34 0.00 0.00 178.44 178.39 3n3r h ALA 554 N 1.39 1.06 -0.63 1.25 0.00 -0.52 -0.80 119.26 121.01 3n3r h ALA 554 Ca 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3n3r h ALA 554 Cb 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3n3r h ALA 554 CO 0.03 0.61 0.24 0.78 0.00 0.00 0.00 179.25 180.91 3n3r h GLY 555 N 1.23 1.01 0.98 0.00 0.00 -0.68 -0.66 103.07 104.96 3n3r h GLY 555 Ca 0.02 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 3n3r h GLY 555 CO 0.07 0.53 0.21 0.00 0.00 0.00 0.00 176.54 177.35 3n3r h ALA 557 N 1.06 1.31 -0.57 0.00 0.00 -0.85 0.53 119.26 120.74 3n3r h ALA 557 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3n3r h ALA 557 Cb 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3n3r h ALA 557 CO -0.01 0.51 0.36 0.78 0.00 0.00 0.00 179.25 180.88 3n3r h GLY 558 N 0.95 0.80 1.04 0.00 0.00 -0.45 0.12 103.07 105.54 3n3r h GLY 558 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3n3r h GLY 558 CO -0.02 0.25 0.15 -2.08 0.00 0.00 0.00 176.54 174.84 3n3r h VAL 559 N 0.72 1.26 -0.68 4.60 2.07 -0.75 0.34 116.25 123.80 3n3r h VAL 559 Ca 0.22 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3n3r h VAL 559 Cb -0.02 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3n3r h VAL 559 CO -0.08 0.36 0.42 -0.33 0.02 0.00 0.00 177.57 177.96 3n3r h GLU 560 N 0.97 0.92 -0.71 1.57 5.08 -0.56 -1.14 114.58 120.70 3n3r h GLU 560 Ca 0.20 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3n3r h GLU 560 Cb 0.37 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3n3r h GLU 560 CO 0.00 0.65 0.18 0.37 -1.00 0.00 0.00 179.01 179.22 3n3r h GLN 561 N 0.93 1.13 -0.55 2.33 5.75 -0.53 -1.05 115.11 123.11 3n3r h GLN 561 Ca 0.25 -0.27 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3n3r h GLN 561 Cb -0.04 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3n3r h GLN 561 CO -0.05 0.99 0.12 0.00 -2.65 0.00 0.00 178.83 177.25 3n3r h ALA 562 N 1.11 1.18 -0.46 3.38 0.00 -0.50 0.10 119.26 124.08 3n3r h ALA 562 Ca 0.23 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3n3r h ALA 562 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3n3r h ALA 562 CO 0.00 0.56 0.10 0.00 0.00 0.00 0.00 179.25 179.91 3n3r h ALA 563 N 1.31 0.60 -0.65 0.00 0.00 -0.84 -0.11 119.26 119.57 3n3r h ALA 563 Ca 0.18 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3n3r h ALA 563 Cb 0.31 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3n3r h ALA 563 CO 0.00 0.29 0.37 -0.22 0.00 0.00 0.00 179.25 179.70 3n3r h LYS 564 N 0.61 0.68 0.00 0.00 3.64 -0.58 -0.07 116.57 120.86 3n3r h LYS 564 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3n3r h LYS 564 Cb 0.33 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3n3r h LYS 564 CO 0.00 0.45 -0.00 -0.91 -2.27 0.00 0.00 179.45 176.72 3n3r h ASN 565 N 0.70 0.00 -0.21 4.20 2.35 -0.56 -0.15 115.58 121.92 3n3r h ASN 565 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3n3r h ASN 565 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3n3r h ASN 565 CO -0.16 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.63 3n3r n ALA 566 N -2.24 2.50 -1.01 -0.83 0.00 -0.18 -4.93 120.51 113.82 3n3r n ALA 566 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3n3r n ALA 566 Cb 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3n3r n ALA 566 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3r n GLY 567 N 1.23 0.39 3.39 0.00 0.00 -0.07 -5.01 105.19 105.12 3n3r n GLY 567 Ca 0.17 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 3n3r n GLY 567 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n3r s HIS 568 N -2.00 2.48 0.46 1.61 3.76 -0.40 -4.99 115.29 116.20 3n3r s HIS 568 Ca 0.00 -0.32 -0.15 0.00 -0.15 0.00 0.00 55.06 54.43 3n3r s HIS 568 Cb 0.00 -1.52 -0.08 0.00 1.11 0.00 0.00 32.58 32.09 3n3r s HIS 568 CO 0.00 0.09 0.90 0.00 -0.85 0.00 0.00 174.74 174.88 3n3r s ALA 569 N -0.71 3.16 -0.14 -1.40 0.00 -1.26 -3.07 121.76 118.34 3n3r s ALA 569 Ca 0.11 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 3n3r s ALA 569 Cb -0.10 -2.98 0.11 0.00 0.00 0.00 0.00 23.12 20.15 3n3r s ALA 569 CO 0.01 -0.08 0.91 0.08 0.00 0.00 0.00 175.76 176.68 3n3r s VAL 570 N -2.44 0.00 -0.17 0.00 1.01 -1.26 -4.94 120.40 112.60 3n3r s VAL 570 Ca 0.57 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.56 3n3r s VAL 570 Cb -0.10 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3n3r s VAL 570 CO 0.28 0.00 -0.18 -0.89 0.00 0.00 0.00 175.10 174.31 3n3r s THR 571 N -0.99 2.30 -0.20 3.92 2.01 -1.26 -4.84 115.64 116.57 3n3r s THR 571 Ca -0.04 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 3n3r s THR 571 Cb -0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3n3r s THR 571 CO 0.03 0.53 0.07 -0.69 -0.69 0.00 0.00 174.62 173.87 3n3r s VAL 572 N 1.07 4.76 0.57 3.82 1.01 -1.26 -5.04 120.40 125.33 3n3r s VAL 572 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 3n3r s VAL 572 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3n3r s VAL 572 CO -0.06 0.42 1.19 -2.84 0.00 0.00 0.00 175.10 173.81 3n3r s PRO 573 N 0.67 3.14 -0.09 2.72 0.02 -1.26 -5.04 135.00 135.16 3n3r s PRO 573 Ca 0.04 1.78 -0.06 0.00 0.02 0.00 0.00 61.00 62.79 3n3r s PRO 573 Cb -0.13 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.43 3n3r s PRO 573 CO 0.02 -1.06 0.22 0.12 -0.33 0.00 0.00 177.00 175.97 3n3r s PHE 574 N -1.62 -0.28 -0.20 6.54 5.36 -1.26 -4.93 117.98 121.58 3n3r s PHE 574 Ca 0.75 0.68 0.01 0.00 -0.96 0.00 0.00 56.93 57.42 3n3r s PHE 574 Cb -0.29 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.46 3n3r s PHE 574 CO 0.32 -0.19 -0.17 0.00 -1.46 0.00 0.00 175.22 173.72 3n3r s ALA 575 N 0.90 2.42 0.97 11.12 0.00 -1.26 -5.12 121.76 130.79 3n3r s ALA 575 Ca -0.06 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 3n3r s ALA 575 Cb -0.08 -1.32 0.18 0.00 0.00 0.00 0.00 23.12 21.90 3n3r s ALA 575 CO -0.06 -0.60 1.18 -1.25 0.00 0.00 0.00 175.76 175.03 3n3r s PRO 576 N 1.24 0.64 0.00 0.00 0.04 -1.26 -4.71 135.00 130.95 3n3r s PRO 576 Ca 0.01 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.11 3n3r s PRO 576 Cb -0.15 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3n3r s PRO 576 CO -0.10 -2.49 0.00 0.41 0.04 0.00 0.00 177.00 174.86 3n3r n GLY 577 N -2.38 0.59 3.77 0.56 0.00 -1.26 -5.10 105.19 101.36 3n3r n GLY 577 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3n3r n GLY 577 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3r s ARG 578 N 0.00 2.99 0.38 1.61 0.52 -1.26 -4.92 118.95 118.27 3n3r s ARG 578 Ca 0.00 1.48 0.07 0.00 -0.52 0.00 0.00 55.73 56.76 3n3r s ARG 578 Cb 0.00 -1.97 -0.07 0.00 0.52 0.00 0.00 34.95 33.43 3n3r s ARG 578 CO 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 175.30 174.21 3n3r s ALA 579 N -2.12 2.95 -0.21 2.13 0.00 -1.26 -4.53 121.76 118.72 3n3r s ALA 579 Ca 0.69 -2.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 3n3r s ALA 579 Cb -0.22 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3n3r s ALA 579 CO 0.36 -0.13 0.06 -0.51 0.00 0.00 0.00 175.76 175.54 3n3r s ASP 580 N -3.64 5.36 0.38 0.00 1.01 -1.26 -0.63 116.67 117.88 3n3r s ASP 580 Ca 0.35 -0.06 -0.08 0.00 0.71 0.00 0.00 52.55 53.47 3n3r s ASP 580 Cb 0.09 -1.94 -0.06 0.00 1.01 0.00 0.00 42.92 42.02 3n3r s ASP 580 CO 0.17 0.08 0.70 0.00 0.21 0.00 0.00 175.17 176.33 3n3r s ALA 581 N 0.93 3.44 0.58 5.23 0.00 0.12 -4.62 121.76 127.44 3n3r s ALA 581 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3n3r s ALA 581 Cb -0.14 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.45 3n3r s ALA 581 CO 0.03 0.03 0.85 -1.54 0.00 0.00 0.00 175.76 175.12 3n3r s SER 582 N -3.28 5.38 0.25 0.00 1.04 -1.26 -4.88 113.70 110.95 3n3r s SER 582 Ca 0.48 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 57.24 3n3r s SER 582 Cb -0.10 -1.32 0.32 0.00 0.10 0.00 0.00 66.02 65.02 3n3r s SER 582 CO 0.32 -1.13 1.89 -0.61 0.98 0.00 0.00 173.24 174.70 3n3r h GLN 583 N -0.09 1.17 0.00 4.02 5.75 -1.96 -2.04 115.11 121.96 3n3r h GLN 583 Ca -0.44 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 3n3r h GLN 583 Cb 1.28 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 3n3r h GLN 583 CO 0.58 0.77 -0.21 0.93 -2.65 0.00 0.00 178.83 178.25 3n3r h GLU 584 N 1.21 0.00 -0.36 1.69 3.07 -2.00 -0.82 114.58 117.36 3n3r h GLU 584 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3n3r h GLU 584 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3n3r h GLU 584 CO -0.13 0.21 0.00 1.04 -1.40 0.00 0.00 179.01 178.73 3n3r n GLN 585 N -3.63 1.73 -3.82 2.33 6.02 -0.78 -4.72 117.38 114.52 3n3r n GLN 585 Ca -0.01 -0.95 -0.30 0.00 -0.01 0.00 0.00 57.00 55.72 3n3r n GLN 585 Cb 0.34 -1.30 -0.15 0.00 1.02 0.00 0.00 30.24 30.15 3n3r n GLN 585 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3n3r s THR 586 N -1.65 1.25 -0.27 5.09 2.01 -0.32 -4.20 115.64 117.56 3n3r s THR 586 Ca 0.17 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.28 3n3r s THR 586 Cb 0.10 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 3n3r s THR 586 CO 0.11 -0.62 1.53 -0.62 -0.69 0.00 0.00 174.62 174.33 3n3r s ASP 587 N 1.43 6.40 0.33 3.53 -1.08 -1.26 -4.88 116.67 121.14 3n3r s ASP 587 Ca 0.09 1.40 0.08 0.00 -0.52 0.00 0.00 52.55 53.61 3n3r s ASP 587 Cb -0.18 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.32 3n3r s ASP 587 CO -0.20 -1.27 1.77 0.58 0.52 0.00 0.00 175.17 176.57 3n3r h VAL 588 N 6.19 1.27 -0.11 1.11 2.07 -1.91 -1.04 116.25 123.84 3n3r h VAL 588 Ca -0.31 -1.30 -0.22 0.00 0.82 0.00 0.00 66.70 65.68 3n3r h VAL 588 Cb 1.14 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3n3r h VAL 588 CO 1.02 0.39 -0.81 -0.33 0.02 0.00 0.00 177.57 177.86 3n3r h GLU 589 N 0.18 0.74 -0.09 1.57 4.39 -1.98 -2.95 114.58 116.44 3n3r h GLU 589 Ca 0.02 -0.65 -0.07 0.00 0.34 0.00 0.00 59.36 59.00 3n3r h GLU 589 Cb 0.68 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3n3r h GLU 589 CO 0.05 1.25 -0.26 1.03 -1.16 0.00 0.00 179.01 179.92 3n3r h SER 590 N 0.44 0.16 0.71 1.42 0.87 -1.92 -2.73 113.55 112.50 3n3r h SER 590 Ca -0.07 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 3n3r h SER 590 Cb 1.45 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 3n3r h SER 590 CO 0.17 0.43 -0.18 -0.03 -0.53 0.00 0.00 176.83 176.69 3n3r h MET 591 N 0.15 0.00 -0.38 2.24 1.85 -1.08 -3.17 114.93 114.54 3n3r h MET 591 Ca 0.02 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.21 3n3r h MET 591 Cb 0.55 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.56 3n3r h MET 591 CO 0.04 0.18 0.26 0.00 -0.40 0.00 0.00 176.91 176.99 3n3r h ALA 592 N 1.82 2.24 0.00 0.39 0.00 -1.31 -0.90 119.26 121.50 3n3r h ALA 592 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3n3r h ALA 592 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3n3r h ALA 592 CO 0.02 -0.34 0.00 1.33 0.00 0.00 0.00 179.25 180.26 3n3r n VAL 593 N -4.45 0.63 1.45 0.00 0.24 -1.20 -1.54 118.33 113.46 3n3r n VAL 593 Ca 0.06 0.11 0.14 0.00 -2.04 0.00 0.00 64.34 62.61 3n3r n VAL 593 Cb 0.39 -0.83 0.57 0.00 -1.47 0.00 0.00 33.84 32.50 3n3r n VAL 593 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3n3r n LEU 594 N -1.70 0.78 -4.70 1.34 4.77 -0.34 -4.83 117.00 112.31 3n3r n LEU 594 Ca 0.05 -0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 3n3r n LEU 594 Cb 0.26 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3n3r n LEU 594 CO 0.20 0.14 1.42 -0.70 -1.33 0.00 0.00 177.39 177.12 3n3r s GLU 595 N -2.33 4.13 -0.44 3.23 2.12 -0.59 -4.91 118.70 119.91 3n3r s GLU 595 Ca 0.32 2.59 -0.29 0.00 0.36 0.00 0.00 54.97 57.95 3n3r s GLU 595 Cb 0.20 -3.36 0.02 0.00 0.26 0.00 0.00 34.13 31.25 3n3r s GLU 595 CO 0.44 -0.80 1.29 -1.25 -0.54 0.00 0.00 175.26 174.41 3n3r s PRO 596 N 2.01 3.64 0.08 4.30 0.04 -1.26 -4.82 135.00 139.00 3n3r s PRO 596 Ca 0.78 0.79 0.24 0.00 0.04 0.00 0.00 61.00 62.85 3n3r s PRO 596 Cb -0.47 -3.97 0.40 0.00 0.04 0.00 0.00 34.50 30.49 3n3r s PRO 596 CO 0.34 -1.48 1.35 1.33 0.04 0.00 0.00 177.00 178.58 3n3r n VAL 597 N 6.96 0.25 -3.92 -0.36 0.24 -1.26 -4.67 118.33 115.57 3n3r n VAL 597 Ca 0.15 -0.20 -0.19 0.00 -2.04 0.00 0.00 64.34 62.05 3n3r n VAL 597 Cb 0.48 -0.04 -0.17 0.00 -1.47 0.00 0.00 33.84 32.65 3n3r n VAL 597 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n3r s ALA 598 N -3.12 0.46 -0.30 2.33 0.00 -1.26 -0.11 121.76 119.76 3n3r s ALA 598 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 3n3r s ALA 598 Cb 0.15 -0.46 0.12 0.00 0.00 0.00 0.00 23.12 22.93 3n3r s ALA 598 CO 0.71 -0.18 0.23 0.34 0.00 0.00 0.00 175.76 176.86 3n3r s ASP 599 N 1.30 2.47 0.55 0.00 -1.08 0.23 -4.99 116.67 115.15 3n3r s ASP 599 Ca -0.06 -1.07 0.32 0.00 -0.52 0.00 0.00 52.55 51.23 3n3r s ASP 599 Cb -0.13 0.12 1.59 0.00 -1.46 0.00 0.00 42.92 43.04 3n3r s ASP 599 CO -0.02 -0.40 2.09 1.23 0.52 0.00 0.00 175.17 178.59 3n3r h GLY 600 N 8.22 0.00 2.00 2.66 0.00 -1.89 -0.99 103.07 113.06 3n3r h GLY 600 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3n3r h GLY 600 CO 0.37 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.60 3n3r n PHE 601 N -3.38 0.69 -0.52 5.60 3.01 -1.26 -1.68 117.46 119.92 3n3r n PHE 601 Ca -0.01 0.25 0.06 0.00 1.01 0.00 0.00 57.45 58.75 3n3r n PHE 601 Cb 0.24 -0.90 0.14 0.00 -0.01 0.00 0.00 39.48 38.94 3n3r n PHE 601 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3n3r n ARG 602 N -2.11 2.59 -3.93 -1.08 1.74 -0.49 -4.74 116.66 108.65 3n3r n ARG 602 Ca 0.03 -2.22 -0.28 0.00 -0.77 0.00 0.00 57.85 54.62 3n3r n ARG 602 Cb 0.28 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.33 3n3r n ARG 602 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3n3r n ASN 603 N -0.40 -2.45 -4.39 0.55 2.85 -0.68 -1.73 115.26 109.02 3n3r n ASN 603 Ca 0.12 -0.89 -0.33 0.00 -0.11 0.00 0.00 54.58 53.37 3n3r n ASN 603 Cb 0.54 -3.50 -0.14 0.00 1.24 0.00 0.00 39.78 37.92 3n3r n ASN 603 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3n3r s TYR 604 N -3.57 2.79 -0.05 1.20 5.04 -0.55 -4.81 117.35 117.41 3n3r s TYR 604 Ca 0.34 -0.57 -0.00 0.00 -2.44 0.00 0.00 57.07 54.40 3n3r s TYR 604 Cb -0.18 -1.81 0.03 0.00 0.35 0.00 0.00 41.96 40.35 3n3r s TYR 604 CO 0.86 -0.15 -0.02 -0.51 -1.34 0.00 0.00 175.55 174.39 3n3r s LEU 605 N 0.17 0.98 0.18 6.97 1.43 -1.26 -0.60 118.68 126.54 3n3r s LEU 605 Ca -0.07 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3n3r s LEU 605 Cb -0.15 -0.41 0.06 0.00 0.03 0.00 0.00 46.19 45.72 3n3r s LEU 605 CO 0.05 -0.12 1.42 0.50 0.23 0.00 0.00 176.35 178.43 3n3r h LYS 606 N 7.70 0.22 0.00 1.70 3.64 -0.87 -3.47 116.57 125.49 3n3r h LYS 606 Ca -0.31 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3n3r h LYS 606 Cb 1.14 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3n3r h LYS 606 CO 0.38 0.91 0.00 0.41 -2.27 0.00 0.00 179.45 178.88 3n3r n GLY 607 N 0.71 4.44 3.59 5.01 0.00 -1.26 -5.14 105.19 112.53 3n3r n GLY 607 Ca -0.03 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 3n3r n GLY 607 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3r s LYS 608 N 1.42 3.94 0.30 1.61 0.00 -1.26 -5.09 119.74 120.67 3n3r s LYS 608 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 55.97 55.74 3n3r s LYS 608 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 37.83 34.16 3n3r s LYS 608 CO 0.00 -0.15 0.02 0.71 0.00 0.00 0.00 175.35 175.93 3n3r s TYR 609 N 1.65 2.63 0.13 1.78 1.51 -1.26 -5.03 117.35 118.77 3n3r s TYR 609 Ca 0.07 -0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 55.72 3n3r s TYR 609 Cb -0.16 -1.36 -0.06 0.00 -0.11 0.00 0.00 41.96 40.28 3n3r s TYR 609 CO 0.10 0.53 1.39 0.07 -1.11 0.00 0.00 175.55 176.52 3n3r h ARG 610 N 1.82 0.73 -6.46 -0.62 -0.00 -2.05 -3.44 114.38 104.36 3n3r h ARG 610 Ca -0.43 -0.53 -0.53 0.00 -0.00 0.00 0.00 59.98 58.48 3n3r h ARG 610 Cb 1.25 0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 31.30 3n3r h ARG 610 CO 0.63 1.15 0.42 0.08 -0.00 0.00 0.00 179.97 182.25 3n3r s VAL 611 N -3.88 4.58 0.46 0.08 1.01 -1.26 -4.99 120.40 116.39 3n3r s VAL 611 Ca -0.09 1.89 -0.23 0.00 0.00 0.00 0.00 61.98 63.55 3n3r s VAL 611 Cb 0.10 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3n3r s VAL 611 CO 0.88 0.17 1.19 -2.84 0.00 0.00 0.00 175.10 174.50 3n3r s PRO 612 N 0.85 3.74 0.50 2.72 0.02 -1.26 -4.81 135.00 136.76 3n3r s PRO 612 Ca 0.53 1.85 0.23 0.00 0.02 0.00 0.00 61.00 63.63 3n3r s PRO 612 Cb -0.24 -2.44 1.31 0.00 0.02 0.00 0.00 34.50 33.15 3n3r s PRO 612 CO 0.29 -0.59 1.96 0.00 -0.33 0.00 0.00 177.00 178.33 3n3r h ALA 613 N 2.09 2.44 0.00 -1.55 0.00 -1.94 -0.25 119.26 120.04 3n3r h ALA 613 Ca -0.49 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3n3r h ALA 613 Cb 1.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3n3r h ALA 613 CO 0.60 -0.62 -0.32 1.05 0.00 0.00 0.00 179.25 179.96 3n3r h GLU 614 N 0.12 0.00 -0.44 0.00 9.09 -1.90 -0.76 114.58 120.69 3n3r h GLU 614 Ca 0.31 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.61 3n3r h GLU 614 Cb 1.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.16 3n3r h GLU 614 CO -0.04 0.32 -0.19 0.28 0.05 0.00 0.00 179.01 179.43 3n3r h VAL 615 N 0.00 1.27 -0.08 -1.06 2.07 -1.41 -2.13 116.25 114.91 3n3r h VAL 615 Ca -0.00 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 3n3r h VAL 615 Cb 1.02 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3n3r h VAL 615 CO 0.04 0.45 -0.37 -0.07 0.02 0.00 0.00 177.57 177.64 3n3r h LEU 616 N 0.75 0.17 -0.11 2.57 3.38 -0.96 -0.31 115.31 120.79 3n3r h LEU 616 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3n3r h LEU 616 Cb 0.72 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3n3r h LEU 616 CO 0.06 0.53 -0.01 0.25 0.09 0.00 0.00 178.44 179.35 3n3r h LEU 617 N 0.14 0.21 -0.90 1.67 5.85 -0.91 -1.18 115.31 120.19 3n3r h LEU 617 Ca 0.01 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3n3r h LEU 617 Cb 0.73 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3n3r h LEU 617 CO 0.05 0.50 0.59 0.58 -0.34 0.00 0.00 178.44 179.83 3n3r h VAL 618 N -0.08 1.21 -0.69 1.05 2.07 -1.16 -0.16 116.25 118.49 3n3r h VAL 618 Ca 0.03 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.20 3n3r h VAL 618 Cb 0.40 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 3n3r h VAL 618 CO 0.01 0.22 0.39 -0.78 0.02 0.00 0.00 177.57 177.42 3n3r h ASP 619 N 1.20 0.58 -0.42 0.57 3.58 -0.96 0.41 116.42 121.38 3n3r h ASP 619 Ca 0.34 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.75 3n3r h ASP 619 Cb -0.11 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 3n3r h ASP 619 CO -0.08 0.37 0.01 0.50 -2.88 0.00 0.00 179.24 177.16 3n3r h LYS 620 N 0.71 0.73 -0.78 0.28 1.63 -0.75 -1.29 116.57 117.10 3n3r h LYS 620 Ca 0.31 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.92 3n3r h LYS 620 Cb 0.19 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 3n3r h LYS 620 CO -0.18 0.80 0.51 0.00 -3.45 0.00 0.00 179.45 177.13 3n3r h ALA 621 N 0.90 1.55 -0.64 5.00 0.00 -0.75 0.67 119.26 125.99 3n3r h ALA 621 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3n3r h ALA 621 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3n3r h ALA 621 CO 0.02 0.36 0.07 0.37 0.00 0.00 0.00 179.25 180.07 3n3r h GLN 622 N 0.94 1.09 -0.17 0.00 -0.00 -0.24 -0.00 115.11 116.72 3n3r h GLN 622 Ca 0.31 -0.31 -0.10 0.00 -0.00 0.00 0.00 58.65 58.56 3n3r h GLN 622 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 3n3r h GLN 622 CO -0.09 1.02 -0.31 -0.07 0.00 0.00 0.00 178.83 179.37 3n3r h LEU 623 N 1.01 0.35 0.00 -2.39 3.38 -0.54 -1.68 115.31 115.44 3n3r h LEU 623 Ca 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3n3r h LEU 623 Cb 0.49 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3n3r h LEU 623 CO 0.02 0.65 0.00 0.18 0.09 0.00 0.00 178.44 179.38 3n3r n LEU 624 N -4.09 0.00 -1.11 1.67 4.77 0.16 -0.17 117.00 118.24 3n3r n LEU 624 Ca -0.01 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 3n3r n LEU 624 Cb 0.42 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3n3r n LEU 624 CO 0.41 -0.01 -0.13 0.35 -1.33 0.00 0.00 177.39 176.68 3n3r n THR 625 N -1.07 -0.34 -3.40 -5.08 -2.24 -0.61 -4.94 114.28 96.60 3n3r n THR 625 Ca 0.18 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.60 3n3r n THR 625 Cb 0.12 -1.62 -0.06 0.00 -2.10 0.00 0.00 70.33 66.67 3n3r n THR 625 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3n3r s LEU 626 N -2.92 4.37 0.83 3.22 1.43 -0.12 -5.03 118.68 120.47 3n3r s LEU 626 Ca 0.00 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.03 3n3r s LEU 626 Cb 0.00 -3.13 0.13 0.00 0.03 0.00 0.00 46.19 43.22 3n3r s LEU 626 CO 0.00 0.15 1.17 -0.94 0.23 0.00 0.00 176.35 176.96 3n3r s SER 627 N -1.62 3.98 0.17 2.29 1.04 -1.26 -4.57 113.70 113.71 3n3r s SER 627 Ca 0.35 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.97 3n3r s SER 627 Cb -0.15 -0.63 0.06 0.00 0.10 0.00 0.00 66.02 65.40 3n3r s SER 627 CO 0.18 -2.17 1.68 0.00 0.98 0.00 0.00 173.24 173.92 3n3r h ALA 628 N -1.11 0.76 -0.92 5.32 0.00 -1.91 0.67 119.26 122.08 3n3r h ALA 628 Ca -0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3n3r h ALA 628 Cb 1.28 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3n3r h ALA 628 CO 0.49 0.46 0.52 -1.35 0.00 0.00 0.00 179.25 179.37 3n3r h PRO 629 N 0.83 1.27 -0.54 0.00 0.11 -1.99 -0.86 132.00 130.82 3n3r h PRO 629 Ca 0.18 -0.14 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 3n3r h PRO 629 Cb 0.33 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3n3r h PRO 629 CO -0.00 0.91 0.07 0.93 -0.21 0.00 0.00 178.00 179.70 3n3r h GLU 630 N 1.28 0.91 -0.58 1.05 5.08 -1.81 -1.36 114.58 119.14 3n3r h GLU 630 Ca 0.33 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3n3r h GLU 630 Cb -0.00 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3n3r h GLU 630 CO -0.06 0.89 0.38 1.98 -1.00 0.00 0.00 179.01 181.20 3n3r h MET 631 N 0.79 0.74 0.10 2.33 4.05 -0.59 -0.92 114.93 121.43 3n3r h MET 631 Ca 0.16 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3n3r h MET 631 Cb 0.43 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3n3r h MET 631 CO 0.01 0.49 -0.05 1.15 0.23 0.00 0.00 176.91 178.74 3n3r h THR 632 N 0.76 0.97 -0.32 -0.77 2.02 -0.89 -1.00 112.91 113.68 3n3r h THR 632 Ca 0.22 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 3n3r h THR 632 Cb -0.06 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3n3r h THR 632 CO -0.06 0.06 -0.35 1.62 0.37 0.00 0.00 175.52 177.16 3n3r h VAL 633 N -0.25 1.28 -0.10 3.16 3.04 -1.16 -2.04 116.25 120.19 3n3r h VAL 633 Ca -0.01 -1.50 -0.00 0.00 -1.01 0.00 0.00 66.70 64.17 3n3r h VAL 633 Cb 0.20 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 3n3r h VAL 633 CO 0.02 0.49 0.05 0.25 -1.01 0.00 0.00 177.57 177.38 3n3r h LEU 634 N 0.60 0.12 -0.22 3.16 5.85 -1.06 -1.82 115.31 121.94 3n3r h LEU 634 Ca 0.06 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3n3r h LEU 634 Cb 0.88 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3n3r h LEU 634 CO 0.08 0.17 0.11 0.25 -0.34 0.00 0.00 178.44 178.70 3n3r h LEU 635 N 0.07 0.29 -1.54 2.25 6.46 -1.10 0.54 115.31 122.29 3n3r h LEU 635 Ca 0.03 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 3n3r h LEU 635 Cb 0.07 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3n3r h LEU 635 CO -0.01 0.33 -0.15 1.23 -0.62 0.00 0.00 178.44 179.22 3n3r h GLY 636 N 0.23 0.11 0.70 3.75 0.00 -1.31 -1.74 103.07 104.82 3n3r h GLY 636 Ca 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 3n3r h GLY 636 CO -0.01 0.06 -0.47 -1.33 0.00 0.00 0.00 176.54 174.80 3n3r h GLY 637 N 0.63 0.40 0.97 4.60 0.00 -1.05 -3.20 103.07 105.41 3n3r h GLY 637 Ca 0.02 -0.65 0.08 0.00 0.00 0.00 0.00 47.33 46.78 3n3r h GLY 637 CO 0.02 0.58 0.47 1.41 0.00 0.00 0.00 176.54 179.02 3n3r h LEU 638 N -0.18 0.59 -0.53 3.11 3.38 -0.64 -2.11 115.31 118.94 3n3r h LEU 638 Ca -0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3n3r h LEU 638 Cb 1.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3n3r h LEU 638 CO 0.09 0.37 0.25 0.03 0.09 0.00 0.00 178.44 179.27 3n3r h ARG 639 N 0.66 0.77 0.00 1.13 2.47 -1.34 -2.43 114.38 115.65 3n3r h ARG 639 Ca 0.32 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3n3r h ARG 639 Cb 0.39 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3n3r h ARG 639 CO -0.11 0.64 -0.03 1.33 0.56 0.00 0.00 179.97 182.36 3n3r n VAL 640 N -4.57 0.43 1.26 2.04 0.24 -1.01 -2.96 118.33 113.76 3n3r n VAL 640 Ca 0.02 -0.21 0.13 0.00 -2.04 0.00 0.00 64.34 62.25 3n3r n VAL 640 Cb 0.13 -0.54 0.47 0.00 -1.47 0.00 0.00 33.84 32.43 3n3r n VAL 640 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3n3r n LEU 641 N -2.05 0.65 0.00 1.34 4.77 -0.82 -0.09 117.00 120.79 3n3r n LEU 641 Ca 0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3n3r n LEU 641 Cb 0.41 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3n3r n LEU 641 CO 0.30 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3n3r n GLY 642 N 1.35 0.98 0.05 -0.72 0.00 -1.07 -3.59 105.19 102.19 3n3r n GLY 642 Ca 0.12 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.73 3n3r n GLY 642 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3r n ALA 643 N -0.93 2.67 -1.77 4.61 0.00 -0.96 -4.77 120.51 119.36 3n3r n ALA 643 Ca 0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3n3r n ALA 643 Cb 0.28 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.34 3n3r n ALA 643 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3n3r s ASN 644 N -2.62 6.14 0.32 0.00 0.01 -1.26 -4.67 114.94 112.87 3n3r s ASN 644 Ca 0.25 3.02 -0.29 0.00 -0.71 0.00 0.00 52.86 55.13 3n3r s ASN 644 Cb 0.20 -2.66 -0.12 0.00 0.41 0.00 0.00 41.25 39.07 3n3r s ASN 644 CO 0.50 -1.01 1.37 0.52 -1.51 0.00 0.00 177.10 176.97 3n3r n VAL 645 N 0.19 1.72 -1.69 1.60 0.31 -0.70 -2.32 118.33 117.44 3n3r n VAL 645 Ca 0.03 -0.43 -0.19 0.00 -0.01 0.00 0.00 64.34 63.74 3n3r n VAL 645 Cb 0.40 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.60 3n3r n VAL 645 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3n3r n GLY 646 N 1.10 1.42 2.36 2.92 0.00 -1.26 -2.40 105.19 109.34 3n3r n GLY 646 Ca 0.06 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 3n3r n GLY 646 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3n3r n GLN 647 N -2.52 -1.90 -1.58 1.61 1.13 -0.98 -4.90 117.38 108.24 3n3r n GLN 647 Ca -0.19 0.75 -0.44 0.00 -1.94 0.00 0.00 57.00 55.17 3n3r n GLN 647 Cb 0.62 -5.28 -0.01 0.00 0.11 0.00 0.00 30.24 25.68 3n3r n GLN 647 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3n3r n SER 648 N -1.58 1.19 -0.27 1.08 2.88 -1.01 -4.86 113.62 111.05 3n3r n SER 648 Ca -0.17 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.68 3n3r n SER 648 Cb 0.60 -1.28 0.71 0.00 -0.75 0.00 0.00 64.21 63.48 3n3r n SER 648 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3n3r n ARG 649 N 0.67 1.38 -2.02 -1.46 5.12 -1.26 -4.79 116.66 114.29 3n3r n ARG 649 Ca 0.10 -0.55 -0.42 0.00 -1.93 0.00 0.00 57.85 55.05 3n3r n ARG 649 Cb 0.33 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.11 3n3r n ARG 649 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3n3r s HIS 650 N -2.00 3.07 0.00 -1.55 3.76 -1.26 -1.38 115.29 115.93 3n3r s HIS 650 Ca 0.42 0.72 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 3n3r s HIS 650 Cb 0.21 -3.84 0.00 0.00 1.11 0.00 0.00 32.58 30.07 3n3r s HIS 650 CO 0.35 -3.07 0.00 0.41 -0.85 0.00 0.00 174.74 171.58 3n3r n GLY 651 N 3.68 0.59 3.03 -2.22 0.00 -0.42 -4.87 105.19 105.00 3n3r n GLY 651 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3n3r n GLY 651 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3n3r n VAL 652 N -2.26 4.18 -2.17 1.61 0.31 -0.48 -4.79 118.33 114.74 3n3r n VAL 652 Ca 0.00 -4.28 -0.42 0.00 -0.01 0.00 0.00 64.34 59.64 3n3r n VAL 652 Cb 0.05 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 30.56 3n3r n VAL 652 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3n3r n PHE 653 N 4.86 2.86 -3.63 3.52 0.99 -1.26 -4.85 117.46 119.95 3n3r n PHE 653 Ca 0.41 -2.82 -0.16 0.00 -0.00 0.00 0.00 57.45 54.89 3n3r n PHE 653 Cb 0.39 -1.98 -0.07 0.00 -1.00 0.00 0.00 39.48 36.82 3n3r n PHE 653 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3n3r s THR 654 N 0.25 0.02 -2.31 4.37 -1.32 -1.26 -3.75 115.64 111.65 3n3r s THR 654 Ca 0.45 -0.16 0.21 0.00 -1.21 0.00 0.00 61.69 60.98 3n3r s THR 654 Cb 0.12 -0.84 0.46 0.00 -1.51 0.00 0.00 72.50 70.74 3n3r s THR 654 CO -0.03 -0.09 1.44 0.00 -2.21 0.00 0.00 174.62 173.74 3n3r n ALA 655 N 1.34 2.44 -3.29 11.08 0.00 -1.26 -4.55 120.51 126.27 3n3r n ALA 655 Ca -0.19 -0.91 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 3n3r n ALA 655 Cb 0.56 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 3n3r n ALA 655 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3n3r n ARG 656 N 1.19 1.76 -1.78 0.00 1.85 -1.26 -5.10 116.66 113.32 3n3r n ARG 656 Ca 0.19 -4.03 -0.38 0.00 -1.00 0.00 0.00 57.85 52.62 3n3r n ARG 656 Cb 0.52 -1.80 0.05 0.00 -1.05 0.00 0.00 32.46 30.17 3n3r n ARG 656 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3n3r s GLU 657 N -2.00 3.03 -0.03 2.89 2.12 -1.26 -2.35 118.70 121.09 3n3r s GLU 657 Ca 0.38 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.91 3n3r s GLU 657 Cb 0.17 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.39 3n3r s GLU 657 CO -0.06 -1.26 0.00 1.04 -0.54 0.00 0.00 175.26 174.44 3n3r n GLN 658 N -1.20 -0.38 -5.01 4.30 6.02 0.87 -5.02 117.38 116.98 3n3r n GLN 658 Ca 0.11 0.14 -0.32 0.00 -0.01 0.00 0.00 57.00 56.92 3n3r n GLN 658 Cb 0.46 -3.46 -0.15 0.00 1.02 0.00 0.00 30.24 28.11 3n3r n GLN 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3n3r s ALA 659 N -1.83 2.48 -0.73 -1.58 0.00 -0.99 -4.31 121.76 114.79 3n3r s ALA 659 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.74 3n3r s ALA 659 Cb 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.29 3n3r s ALA 659 CO 0.00 0.45 1.06 -1.17 0.00 0.00 0.00 175.76 176.10 3n3r s LEU 660 N -0.34 4.28 0.18 0.00 2.96 -0.08 -4.63 118.68 121.04 3n3r s LEU 660 Ca 0.03 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 52.83 3n3r s LEU 660 Cb -0.12 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 3n3r s LEU 660 CO 0.02 -1.44 0.06 0.42 -1.32 0.00 0.00 176.35 174.09 3n3r s THR 661 N 4.12 0.39 -0.55 3.68 -4.23 -1.26 -4.79 115.64 113.00 3n3r s THR 661 Ca 0.27 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 3n3r s THR 661 Cb -0.13 -2.26 0.23 0.00 1.34 0.00 0.00 72.50 71.68 3n3r s THR 661 CO 0.07 -0.30 1.01 -0.46 -0.54 0.00 0.00 174.62 174.39 3n3r n ASN 662 N -0.25 2.70 0.15 3.99 6.94 -1.26 -4.56 115.26 122.97 3n3r n ASN 662 Ca -0.04 -2.35 0.15 0.00 -0.02 0.00 0.00 54.58 52.33 3n3r n ASN 662 Cb 0.64 -0.57 0.72 0.00 -2.36 0.00 0.00 39.78 38.21 3n3r n ASN 662 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3n3r h ASP 663 N 0.89 0.00 -0.68 0.53 3.32 -1.93 -0.91 116.42 117.64 3n3r h ASP 663 Ca 0.07 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.15 3n3r h ASP 663 Cb 1.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 3n3r h ASP 663 CO 0.21 0.00 0.41 0.15 -1.72 0.00 0.00 179.24 178.29 3n3r h PHE 664 N 0.00 0.77 -0.02 4.55 3.57 -1.80 -1.23 116.94 122.78 3n3r h PHE 664 Ca 0.11 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.39 3n3r h PHE 664 Cb 0.50 -0.25 0.02 0.00 2.79 0.00 0.00 35.95 39.01 3n3r h PHE 664 CO 0.00 0.42 -0.96 0.74 -2.23 0.00 0.00 178.31 176.29 3n3r h PHE 665 N 0.80 0.99 -0.41 0.41 -1.00 -1.51 -0.29 116.94 115.93 3n3r h PHE 665 Ca 0.28 -0.53 -0.04 0.00 2.81 0.00 0.00 57.97 60.49 3n3r h PHE 665 Cb 0.07 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3n3r h PHE 665 CO -0.05 1.36 0.09 0.28 -1.61 0.00 0.00 178.31 178.38 3n3r h VAL 666 N 0.34 1.23 -0.15 -0.55 2.07 -1.22 -1.75 116.25 116.23 3n3r h VAL 666 Ca -0.12 -0.81 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 3n3r h VAL 666 Cb 1.62 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3n3r h VAL 666 CO 0.19 0.28 -0.61 0.78 0.02 0.00 0.00 177.57 178.23 3n3r h ASN 667 N 0.52 0.57 -0.55 0.57 2.35 -1.28 -2.89 115.58 114.87 3n3r h ASN 667 Ca 0.13 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 3n3r h ASN 667 Cb 0.33 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3n3r h ASN 667 CO 0.00 1.05 0.14 0.25 -1.65 0.00 0.00 177.43 177.22 3n3r h LEU 668 N 0.37 0.87 -0.80 1.61 5.85 -0.84 -2.68 115.31 119.69 3n3r h LEU 668 Ca -0.01 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3n3r h LEU 668 Cb 1.17 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3n3r h LEU 668 CO 0.11 0.85 0.00 0.18 -0.34 0.00 0.00 178.44 179.24 3n3r n LEU 669 N -4.26 1.20 -4.62 2.25 4.77 -0.67 -4.85 117.00 110.83 3n3r n LEU 669 Ca 0.04 -0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 55.08 3n3r n LEU 669 Cb 0.24 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3n3r n LEU 669 CO 0.41 0.26 1.16 -0.62 -1.33 0.00 0.00 177.39 177.27 3n3r s ASP 670 N -1.49 6.55 0.00 -1.43 -1.08 -1.01 -4.86 116.67 113.34 3n3r s ASP 670 Ca 0.29 1.03 0.14 0.00 -0.52 0.00 0.00 52.55 53.49 3n3r s ASP 670 Cb 0.15 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.85 3n3r s ASP 670 CO 0.23 -1.22 1.34 0.80 0.52 0.00 0.00 175.17 176.85 3n3r n MET 671 N 7.62 0.31 0.00 4.34 0.00 -1.26 -2.17 117.12 125.95 3n3r n MET 671 Ca 0.15 0.09 0.13 0.00 -0.00 0.00 0.00 57.70 58.08 3n3r n MET 671 Cb 0.47 -1.50 0.78 0.00 0.00 0.00 0.00 33.22 32.97 3n3r n MET 671 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3n3r n GLY 672 N -0.09 -0.89 3.34 -5.12 0.00 -1.26 -4.65 105.19 96.52 3n3r n GLY 672 Ca 0.08 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3n3r n GLY 672 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3r s THR 673 N -2.08 2.56 -0.06 2.61 2.01 -0.92 -0.91 115.64 118.84 3n3r s THR 673 Ca 0.38 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.52 3n3r s THR 673 Cb 0.18 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 3n3r s THR 673 CO 0.32 0.56 -0.07 -0.70 -0.69 0.00 0.00 174.62 174.05 3n3r s GLU 674 N -0.16 2.72 0.04 4.92 2.12 0.31 -4.88 118.70 123.76 3n3r s GLU 674 Ca -0.02 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 54.82 3n3r s GLU 674 Cb -0.14 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 3n3r s GLU 674 CO 0.04 0.66 -0.24 -1.58 -0.54 0.00 0.00 175.26 173.60 3n3r s TRP 675 N -0.82 2.39 -0.08 5.30 0.52 -1.26 -0.76 118.94 124.23 3n3r s TRP 675 Ca 0.13 -0.37 -0.11 0.00 0.02 0.00 0.00 56.10 55.77 3n3r s TRP 675 Cb -0.11 -1.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.81 3n3r s TRP 675 CO 0.02 0.15 0.27 0.15 0.02 0.00 0.00 176.95 177.56 3n3r s LYS 676 N -1.22 0.42 0.57 4.98 1.02 -0.75 -4.97 119.74 119.79 3n3r s LYS 676 Ca 0.12 0.19 -0.19 0.00 0.02 0.00 0.00 55.97 56.11 3n3r s LYS 676 Cb -0.10 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 3n3r s LYS 676 CO 0.03 -0.08 1.17 -1.25 -0.92 0.00 0.00 175.35 174.30 3n3r s PRO 677 N -0.32 3.14 0.53 -1.68 0.04 -1.26 -0.96 135.00 134.48 3n3r s PRO 677 Ca -0.04 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 3n3r s PRO 677 Cb -0.03 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 3n3r s PRO 677 CO 0.01 -1.05 1.02 0.95 0.04 0.00 0.00 177.00 177.97 3n3r s THR 678 N -1.70 4.15 0.26 1.26 -4.23 0.16 -4.83 115.64 110.71 3n3r s THR 678 Ca 0.75 1.10 0.04 0.00 -1.18 0.00 0.00 61.69 62.40 3n3r s THR 678 Cb -0.27 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 3n3r s THR 678 CO 0.30 -0.52 1.62 0.00 -0.54 0.00 0.00 174.62 175.48 3n3r h ALA 679 N 0.93 0.95 -0.83 3.99 0.00 -1.94 -3.23 119.26 119.13 3n3r h ALA 679 Ca -0.47 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 3n3r h ALA 679 Cb 1.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3n3r h ALA 679 CO 0.60 0.65 0.46 0.00 0.00 0.00 0.00 179.25 180.96 3n3r h ALA 680 N 1.24 1.06 -2.54 0.00 0.00 -1.97 -3.42 119.26 113.64 3n3r h ALA 680 Ca 0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.50 3n3r h ALA 680 Cb 0.95 -0.33 -0.35 0.00 0.00 0.00 0.00 17.79 18.05 3n3r h ALA 680 CO 0.08 0.57 -0.61 0.34 0.00 0.00 0.00 179.25 179.62 3n3r s ASP 681 N -6.14 1.23 0.00 0.00 -1.08 -1.22 -5.02 116.67 104.44 3n3r s ASP 681 Ca -0.13 -0.13 0.17 0.00 -0.52 0.00 0.00 52.55 51.94 3n3r s ASP 681 Cb 0.16 0.43 0.71 0.00 -1.46 0.00 0.00 42.92 42.76 3n3r s ASP 681 CO 0.81 -0.32 1.53 0.00 0.52 0.00 0.00 175.17 177.72 3n3r n ALA 682 N 5.32 1.76 1.14 3.66 0.00 -1.24 -2.14 120.51 129.02 3n3r n ALA 682 Ca -0.05 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3n3r n ALA 682 Cb 0.50 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 18.89 3n3r n ALA 682 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3n3r n ASP 683 N -1.50 2.28 -4.44 0.00 8.00 -1.26 -4.76 116.55 114.87 3n3r n ASP 683 Ca 0.04 -1.69 -0.33 0.00 0.71 0.00 0.00 54.79 53.52 3n3r n ASP 683 Cb 0.19 0.10 -0.13 0.00 -0.02 0.00 0.00 41.12 41.26 3n3r n ASP 683 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n3r s VAL 684 N -2.13 3.09 0.10 2.53 1.01 -0.91 -3.24 120.40 120.85 3n3r s VAL 684 Ca 0.28 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3n3r s VAL 684 Cb 0.20 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3n3r s VAL 684 CO 0.38 0.57 -0.25 -0.36 0.00 0.00 0.00 175.10 175.44 3n3r s PHE 685 N -0.33 2.12 -0.14 5.22 0.40 0.80 -0.67 117.98 125.39 3n3r s PHE 685 Ca 0.03 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 3n3r s PHE 685 Cb -0.13 -1.18 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 3n3r s PHE 685 CO 0.02 0.25 -0.09 -1.21 0.70 0.00 0.00 175.22 174.89 3n3r s GLU 686 N -1.81 3.46 -0.32 0.44 2.02 -0.14 -0.86 118.70 121.48 3n3r s GLU 686 Ca 0.11 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.37 3n3r s GLU 686 Cb -0.10 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.38 3n3r s GLU 686 CO 0.05 0.25 0.19 0.20 0.02 0.00 0.00 175.26 175.97 3n3r s GLY 687 N 0.29 1.91 0.12 -1.39 0.00 0.61 -1.82 107.32 107.04 3n3r s GLY 687 Ca -0.07 -1.38 0.10 0.00 0.00 0.00 0.00 44.72 43.36 3n3r s GLY 687 CO 0.04 0.73 -0.22 0.50 0.00 0.00 0.00 173.10 174.16 3n3r s ARG 688 N 1.66 1.63 0.17 2.90 0.52 0.06 0.02 118.95 125.92 3n3r s ARG 688 Ca 0.05 -1.24 -0.33 0.00 -0.52 0.00 0.00 55.73 53.69 3n3r s ARG 688 Cb -0.17 -2.02 -0.13 0.00 0.52 0.00 0.00 34.95 33.15 3n3r s ARG 688 CO 0.08 0.47 1.68 -3.47 0.02 0.00 0.00 175.30 174.08 3n3r n ASP 689 N 0.90 3.58 0.10 0.23 -0.08 0.32 -0.53 116.55 121.07 3n3r n ASP 689 Ca -0.17 1.06 0.01 0.00 -1.51 0.00 0.00 54.79 54.18 3n3r n ASP 689 Cb 0.53 -1.50 0.34 0.00 2.34 0.00 0.00 41.12 42.83 3n3r n ASP 689 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3n3r h ARG 690 N 6.69 0.27 0.16 -0.67 2.43 -1.37 0.09 114.38 121.98 3n3r h ARG 690 Ca -0.44 -0.07 -0.32 0.00 -0.81 0.00 0.00 59.98 58.33 3n3r h ARG 690 Cb 1.23 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3n3r h ARG 690 CO 0.93 0.45 -1.60 0.00 -1.51 0.00 0.00 179.97 178.23 3n3r h ALA 691 N 1.57 0.16 0.00 2.80 0.00 -1.89 -3.40 119.26 118.50 3n3r h ALA 691 Ca 0.05 -1.11 -0.21 0.00 0.00 0.00 0.00 54.91 53.64 3n3r h ALA 691 Cb 0.47 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3n3r h ALA 691 CO 0.03 0.93 -2.20 0.25 0.00 0.00 0.00 179.25 178.26 3n3r n THR 692 N -3.73 0.79 -0.19 0.00 -2.24 -1.21 -4.99 114.28 102.70 3n3r n THR 692 Ca -0.25 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 3n3r n THR 692 Cb 1.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3n3r n THR 692 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3r n GLY 693 N 1.57 1.08 3.73 3.38 0.00 0.01 -5.01 105.19 109.96 3n3r n GLY 693 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3n3r n GLY 693 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n3r s GLU 694 N -0.55 4.27 0.12 1.61 2.12 -1.26 -4.60 118.70 120.42 3n3r s GLU 694 Ca 0.00 2.25 -0.31 0.00 0.36 0.00 0.00 54.97 57.27 3n3r s GLU 694 Cb 0.00 -3.16 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 3n3r s GLU 694 CO 0.00 -0.47 1.47 -1.17 -0.54 0.00 0.00 175.26 174.55 3n3r s LEU 695 N 0.51 4.37 -0.13 2.70 2.96 -1.26 -0.52 118.68 127.30 3n3r s LEU 695 Ca 0.64 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 3n3r s LEU 695 Cb -0.41 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.61 3n3r s LEU 695 CO 0.36 -0.73 -0.12 0.29 -1.32 0.00 0.00 176.35 174.82 3n3r n LYS 696 N 4.14 0.32 -3.90 1.98 5.02 0.10 -4.91 118.16 120.92 3n3r n LYS 696 Ca 0.13 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.40 3n3r n LYS 696 Cb 0.41 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 3n3r n LYS 696 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3n3r s TRP 697 N -2.26 0.22 0.14 2.13 0.52 -0.77 -5.00 118.94 113.92 3n3r s TRP 697 Ca -0.18 -0.58 0.07 0.00 0.02 0.00 0.00 56.10 55.43 3n3r s TRP 697 Cb 0.05 0.14 -0.04 0.00 -1.15 0.00 0.00 33.47 32.47 3n3r s TRP 697 CO 0.29 -0.84 -0.16 0.95 0.02 0.00 0.00 176.95 177.21 3n3r s THR 698 N -3.95 1.53 0.14 2.01 -4.23 -1.26 -0.29 115.64 109.60 3n3r s THR 698 Ca 0.16 -1.79 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 3n3r s THR 698 Cb 0.01 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.20 3n3r s THR 698 CO 0.01 -0.37 0.32 -0.83 -0.54 0.00 0.00 174.62 173.21 3n3r s GLY 699 N -2.52 0.11 0.58 3.99 0.00 -0.04 -1.30 107.32 108.14 3n3r s GLY 699 Ca 0.11 -0.52 0.09 0.00 0.00 0.00 0.00 44.72 44.41 3n3r s GLY 699 CO 0.04 -0.62 0.75 -0.51 0.00 0.00 0.00 173.10 172.77 3n3r s THR 700 N -3.89 2.00 0.30 0.90 -4.23 -1.26 -0.14 115.64 109.31 3n3r s THR 700 Ca 0.09 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3n3r s THR 700 Cb 0.03 -2.07 0.27 0.00 1.34 0.00 0.00 72.50 72.07 3n3r s THR 700 CO -0.06 0.00 1.95 0.03 -0.54 0.00 0.00 174.62 176.00 3n3r h ARG 701 N 0.22 1.07 -0.10 3.99 3.08 -1.95 -1.16 114.38 119.52 3n3r h ARG 701 Ca -0.30 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.59 3n3r h ARG 701 Cb 1.29 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3n3r h ARG 701 CO 0.43 0.70 -0.35 0.28 -1.07 0.00 0.00 179.97 179.96 3n3r h VAL 702 N 1.10 1.28 -0.20 2.04 2.07 -1.91 -0.30 116.25 120.33 3n3r h VAL 702 Ca 0.33 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.39 3n3r h VAL 702 Cb -0.02 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3n3r h VAL 702 CO -0.09 0.40 -0.34 0.44 0.02 0.00 0.00 177.57 178.01 3n3r h ASP 703 N 0.18 0.64 1.43 0.57 3.32 -1.82 -3.32 116.42 117.41 3n3r h ASP 703 Ca 0.02 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3n3r h ASP 703 Cb 0.71 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3n3r h ASP 703 CO 0.05 1.05 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.47 3n3r h LEU 704 N 0.25 0.00 -2.11 1.55 4.07 -1.02 -3.08 115.31 114.96 3n3r h LEU 704 Ca 0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3n3r h LEU 704 Cb 0.92 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 3n3r h LEU 704 CO 0.08 0.01 -0.08 1.62 -1.08 0.00 0.00 178.44 178.99 3n3r h VAL 705 N 0.00 0.58 0.00 1.22 3.04 -1.15 -0.98 116.25 118.96 3n3r h VAL 705 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3n3r h VAL 705 Cb 0.75 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 3n3r h VAL 705 CO 0.00 0.08 0.00 0.49 -1.01 0.00 0.00 177.57 177.13 3n3r n PHE 706 N -3.75 0.41 0.45 3.17 3.01 -1.16 -0.86 117.46 118.73 3n3r n PHE 706 Ca -0.02 0.15 0.07 0.00 1.01 0.00 0.00 57.45 58.66 3n3r n PHE 706 Cb 0.18 -0.75 0.09 0.00 -0.01 0.00 0.00 39.48 38.99 3n3r n PHE 706 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n3r n GLY 707 N 0.24 0.53 0.87 1.37 0.00 -0.40 -3.09 105.19 104.71 3n3r n GLY 707 Ca 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 3n3r n GLY 707 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3n3r n SER 708 N 0.82 0.86 -4.73 1.61 2.88 -0.65 -4.95 113.62 109.46 3n3r n SER 708 Ca 0.10 0.12 -0.42 0.00 -1.33 0.00 0.00 58.87 57.34 3n3r n SER 708 Cb 0.39 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 3n3r n SER 708 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3n3r s HIS 709 N -2.13 2.95 0.34 0.66 5.04 -0.04 -4.87 115.29 117.24 3n3r s HIS 709 Ca -0.06 0.71 0.18 0.00 -1.54 0.00 0.00 55.06 54.36 3n3r s HIS 709 Cb 0.01 -3.97 0.93 0.00 0.04 0.00 0.00 32.58 29.59 3n3r s HIS 709 CO 0.08 -3.44 1.88 0.66 -2.34 0.00 0.00 174.74 171.58 3n3r h SER 710 N 5.90 0.00 0.16 9.88 4.64 -1.96 0.18 113.55 132.36 3n3r h SER 710 Ca -0.45 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.63 3n3r h SER 710 Cb 1.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3n3r h SER 710 CO 0.86 0.29 -1.15 -0.61 -0.87 0.00 0.00 176.83 175.36 3n3r h GLN 711 N 0.00 0.34 -0.44 4.77 4.15 -1.97 -3.04 115.11 118.93 3n3r h GLN 711 Ca -0.00 -0.59 -0.06 0.00 0.77 0.00 0.00 58.65 58.77 3n3r h GLN 711 Cb 0.61 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 3n3r h GLN 711 CO 0.04 1.28 0.00 -0.07 -1.93 0.00 0.00 178.83 178.15 3n3r h LEU 712 N -0.22 0.67 -0.92 -2.39 3.38 -1.84 -2.47 115.31 111.52 3n3r h LEU 712 Ca -0.22 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 3n3r h LEU 712 Cb 1.81 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 3n3r h LEU 712 CO 0.16 0.74 -0.37 -0.09 0.09 0.00 0.00 178.44 178.97 3n3r h ARG 713 N 0.66 0.34 -0.58 1.13 2.43 -0.57 0.57 114.38 118.36 3n3r h ARG 713 Ca 0.13 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3n3r h ARG 713 Cb 0.41 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3n3r h ARG 713 CO 0.02 0.66 0.36 0.00 -1.51 0.00 0.00 179.97 179.50 3n3r h ALA 714 N 1.33 1.55 0.06 2.80 0.00 -1.34 -0.51 119.26 123.15 3n3r h ALA 714 Ca 0.03 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3n3r h ALA 714 Cb 0.78 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3n3r h ALA 714 CO 0.06 0.40 -1.09 -0.07 0.00 0.00 0.00 179.25 178.55 3n3r h LEU 715 N 0.79 0.62 -1.45 0.00 3.38 -0.90 -3.00 115.31 114.75 3n3r h LEU 715 Ca 0.21 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 3n3r h LEU 715 Cb -0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3n3r h LEU 715 CO -0.04 1.37 0.28 0.00 0.09 0.00 0.00 178.44 180.14 3n3r h ALA 716 N 0.57 1.59 -0.31 1.53 0.00 -0.57 -2.04 119.26 120.03 3n3r h ALA 716 Ca -0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3n3r h ALA 716 Cb 1.76 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3n3r h ALA 716 CO 0.19 0.36 -0.19 0.93 0.00 0.00 0.00 179.25 180.54 3n3r h GLU 717 N 0.66 0.57 -0.48 0.00 5.08 -1.01 0.20 114.58 119.61 3n3r h GLU 717 Ca 0.17 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3n3r h GLU 717 Cb -0.01 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3n3r h GLU 717 CO -0.03 0.73 0.25 0.28 -1.00 0.00 0.00 179.01 179.24 3n3r h VAL 718 N 0.51 0.98 0.00 3.13 2.07 -1.24 -2.33 116.25 119.36 3n3r h VAL 718 Ca 0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3n3r h VAL 718 Cb 0.62 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3n3r h VAL 718 CO 0.04 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.50 3n3r n TYR 719 N -4.88 0.53 0.09 1.57 4.02 -0.87 -2.89 117.16 114.72 3n3r n TYR 719 Ca 0.03 0.16 0.12 0.00 -0.01 0.00 0.00 57.90 58.20 3n3r n TYR 719 Cb 0.11 -0.75 0.27 0.00 -0.02 0.00 0.00 39.34 38.94 3n3r n TYR 719 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n3r n GLY 720 N 1.32 1.96 3.88 2.72 0.00 0.65 -4.76 105.19 110.95 3n3r n GLY 720 Ca 0.06 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3n3r n GLY 720 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n3r s SER 721 N -1.28 6.07 0.00 1.61 0.01 -0.92 -4.55 113.70 114.64 3n3r s SER 721 Ca 0.43 1.24 0.18 0.00 1.31 0.00 0.00 55.95 59.11 3n3r s SER 721 Cb 0.24 -2.30 0.78 0.00 0.21 0.00 0.00 66.02 64.95 3n3r s SER 721 CO 0.32 -0.90 1.58 0.00 0.41 0.00 0.00 173.24 174.65 3n3r n ALA 722 N -2.69 1.84 -0.81 1.44 0.00 -1.26 -2.12 120.51 116.91 3n3r n ALA 722 Ca 0.05 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.51 3n3r n ALA 722 Cb 0.55 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 19.07 3n3r n ALA 722 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3n3r n ASP 723 N -1.49 5.07 -0.26 0.00 5.75 -1.26 -4.60 116.55 119.77 3n3r n ASP 723 Ca 0.05 -2.76 0.03 0.00 -0.01 0.00 0.00 54.79 52.09 3n3r n ASP 723 Cb 0.21 -0.62 0.03 0.00 -1.03 0.00 0.00 41.12 39.71 3n3r n ASP 723 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n3r n ALA 724 N 0.61 2.46 0.06 2.12 0.00 -0.90 -4.68 120.51 120.18 3n3r n ALA 724 Ca 0.26 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 3n3r n ALA 724 Cb 1.03 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 20.21 3n3r n ALA 724 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3n3r h GLN 725 N 1.23 -0.13 -0.35 0.00 5.75 -1.81 0.11 115.11 119.91 3n3r h GLN 725 Ca 0.00 0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.39 3n3r h GLN 725 Cb 0.29 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3n3r h GLN 725 CO 0.00 -0.09 -0.26 0.93 -2.65 0.00 0.00 178.83 176.76 3n3r h GLU 726 N -0.14 0.72 -0.92 1.69 3.07 -1.97 -1.80 114.58 115.23 3n3r h GLU 726 Ca 0.02 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3n3r h GLU 726 Cb 0.15 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 3n3r h GLU 726 CO -0.05 0.90 0.54 -0.22 -1.40 0.00 0.00 179.01 178.78 3n3r h LYS 727 N 0.62 1.25 -0.20 2.33 3.64 -1.78 -0.77 116.57 121.65 3n3r h LYS 727 Ca 0.08 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3n3r h LYS 727 Cb 0.76 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3n3r h LYS 727 CO 0.06 0.89 0.09 0.35 -2.27 0.00 0.00 179.45 178.57 3n3r h PHE 728 N 1.27 0.30 -0.34 1.91 3.57 -0.46 0.78 116.94 123.96 3n3r h PHE 728 Ca 0.33 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3n3r h PHE 728 Cb -0.03 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3n3r h PHE 728 CO 0.01 0.33 0.08 0.28 -2.23 0.00 0.00 178.31 176.77 3n3r h VAL 729 N 0.18 1.23 -0.09 1.41 2.07 -1.12 0.14 116.25 120.07 3n3r h VAL 729 Ca 0.07 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 3n3r h VAL 729 Cb 0.15 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3n3r h VAL 729 CO -0.01 0.26 -0.40 0.08 0.02 0.00 0.00 177.57 177.52 3n3r h ARG 730 N 0.40 0.19 0.00 1.57 0.11 -1.02 -0.78 114.38 114.85 3n3r h ARG 730 Ca 0.11 -0.09 -0.16 0.00 0.10 0.00 0.00 59.98 59.94 3n3r h ARG 730 Cb 0.31 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 3n3r h ARG 730 CO 0.00 0.57 -0.78 -0.44 0.10 0.00 0.00 179.97 179.42 3n3r h ASP 731 N 0.16 0.00 -0.32 0.08 3.32 -0.56 -1.70 116.42 117.40 3n3r h ASP 731 Ca 0.01 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 3n3r h ASP 731 Cb 0.79 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 3n3r h ASP 731 CO 0.06 0.78 -0.37 0.15 -1.72 0.00 0.00 179.24 178.14 3n3r h PHE 732 N 0.00 0.99 -0.66 4.55 3.57 -0.33 -1.83 116.94 123.23 3n3r h PHE 732 Ca -0.01 -0.31 -0.08 0.00 3.53 0.00 0.00 57.97 61.10 3n3r h PHE 732 Cb 1.45 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 3n3r h PHE 732 CO 0.00 1.11 0.09 0.28 -2.23 0.00 0.00 178.31 177.56 3n3r h VAL 733 N 0.59 1.26 -0.48 1.41 2.07 -1.02 0.11 116.25 120.19 3n3r h VAL 733 Ca 0.04 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 3n3r h VAL 733 Cb 0.96 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3n3r h VAL 733 CO 0.09 0.40 0.09 0.00 0.02 0.00 0.00 177.57 178.17 3n3r h ALA 734 N 1.04 0.64 -0.31 1.67 0.00 -1.14 -1.01 119.26 120.15 3n3r h ALA 734 Ca 0.20 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3n3r h ALA 734 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3n3r h ALA 734 CO 0.02 0.36 -0.38 -0.24 0.00 0.00 0.00 179.25 179.00 3n3r h VAL 735 N 0.67 1.29 -0.46 0.00 3.04 -1.02 -0.66 116.25 119.10 3n3r h VAL 735 Ca 0.15 -1.54 0.01 0.00 -1.01 0.00 0.00 66.70 64.31 3n3r h VAL 735 Cb 0.37 1.45 -0.03 0.00 -2.01 0.00 0.00 31.29 31.07 3n3r h VAL 735 CO 0.01 0.50 0.30 -0.25 -1.01 0.00 0.00 177.57 177.11 3n3r h TRP 736 N 0.60 0.56 -0.74 3.17 2.91 -0.59 -0.66 115.95 121.20 3n3r h TRP 736 Ca 0.05 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 3n3r h TRP 736 Cb 0.92 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.35 3n3r h TRP 736 CO 0.05 0.34 0.25 -0.97 -1.03 0.00 0.00 178.44 177.08 3n3r h ASN 737 N 0.60 1.07 -0.58 2.65 -1.24 -1.04 0.29 115.58 117.33 3n3r h ASN 737 Ca 0.17 -0.20 0.09 0.00 0.71 0.00 0.00 56.30 57.08 3n3r h ASN 737 Cb -0.05 -0.28 -0.07 0.00 0.73 0.00 0.00 38.32 38.65 3n3r h ASN 737 CO -0.05 0.98 0.18 0.50 -1.29 0.00 0.00 177.43 177.75 3n3r h LYS 738 N 1.10 0.34 -0.36 6.67 3.64 -0.65 -1.46 116.57 125.85 3n3r h LYS 738 Ca 0.24 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 3n3r h LYS 738 Cb 0.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3n3r h LYS 738 CO -0.01 0.22 -0.31 0.28 -2.27 0.00 0.00 179.45 177.36 3n3r h VAL 739 N 0.35 1.28 0.00 2.00 2.07 -0.31 -2.09 116.25 119.56 3n3r h VAL 739 Ca 0.29 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 3n3r h VAL 739 Cb 0.38 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3n3r h VAL 739 CO -0.32 0.49 -0.02 0.24 0.02 0.00 0.00 177.57 177.98 3n3r h MET 740 N 0.64 0.00 -0.33 1.57 2.86 -0.42 -2.60 114.93 116.65 3n3r h MET 740 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3n3r h MET 740 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3n3r h MET 740 CO 0.08 0.02 0.00 0.09 1.06 0.00 0.00 176.91 178.16 3n3r n ASN 741 N -3.85 3.87 -0.05 1.22 3.02 -0.60 -4.70 115.26 114.17 3n3r n ASN 741 Ca -0.03 -2.76 0.02 0.00 -0.03 0.00 0.00 54.58 51.79 3n3r n ASN 741 Cb 0.11 -0.49 0.36 0.00 -0.61 0.00 0.00 39.78 39.14 3n3r n ASN 741 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n3r h LEU 742 N 2.15 0.57 -3.08 3.41 3.38 -1.04 -1.71 115.31 118.98 3n3r h LEU 742 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3n3r h LEU 742 Cb 1.33 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3n3r h LEU 742 CO 0.20 0.46 0.00 -0.90 0.09 0.00 0.00 178.44 178.28 3n3r n ASP 743 N -4.42 4.82 -3.53 -0.43 5.68 -1.26 -4.77 116.55 112.64 3n3r n ASP 743 Ca 0.04 -2.59 -0.40 0.00 -0.50 0.00 0.00 54.79 51.33 3n3r n ASP 743 Cb 0.09 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 39.46 3n3r n ASP 743 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n3r n ARG 744 N 0.85 4.19 0.00 0.11 5.12 -0.64 -4.63 116.66 121.66 3n3r n ARG 744 Ca 0.25 -3.21 0.11 0.00 -1.93 0.00 0.00 57.85 53.07 3n3r n ARG 744 Cb 0.95 -2.74 0.51 0.00 -1.16 0.00 0.00 32.46 30.02 3n3r n ARG 744 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3n3r n PHE 745 N 2.62 0.00 0.31 -1.55 3.01 -1.26 -1.46 117.46 119.13 3n3r n PHE 745 Ca 0.61 0.00 0.17 0.00 1.01 0.00 0.00 57.45 59.23 3n3r n PHE 745 Cb 0.27 -0.49 0.72 0.00 -0.01 0.00 0.00 39.48 39.97 3n3r n PHE 745 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 3n3r h ASP 746 N 0.00 0.00 -0.12 4.37 2.03 -1.92 -2.85 116.42 117.94 3n3r h ASP 746 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3n3r h ASP 746 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 3n3r h ASP 746 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.39 3n3r n LEU 747 N -2.83 2.45 -0.47 0.15 4.77 -0.53 -5.21 117.00 115.33 3n3r n LEU 747 Ca 0.00 -1.22 0.14 0.00 -0.03 0.00 0.00 56.01 54.90 3n3r n LEU 747 Cb 0.23 -0.07 0.54 0.00 -2.33 0.00 0.00 43.42 41.79 3n3r n LEU 747 CO 0.23 0.49 0.88 0.00 -1.33 0.00 0.00 177.39 177.66