#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgx s ALA 2 N 0.00 2.46 0.16 0.00 0.00 -1.26 -4.96 121.76 118.16 1sgx s ALA 2 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.01 1sgx s ALA 2 Cb 0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 1sgx s ALA 2 CO 0.00 -1.37 1.53 -1.17 0.00 0.00 0.00 175.76 174.75 1sgx s LEU 3 N -5.26 4.37 0.06 0.00 2.96 -1.26 -4.96 118.68 114.59 1sgx s LEU 3 Ca 0.63 2.56 -0.18 0.00 -0.22 0.00 0.00 54.13 56.92 1sgx s LEU 3 Cb -0.18 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.96 1sgx s LEU 3 CO 0.48 -0.79 0.43 -0.83 -1.32 0.00 0.00 176.35 174.31 1sgx s GLY 4 N 1.13 -0.30 -0.06 7.98 0.00 -1.26 -4.93 107.32 109.88 1sgx s GLY 4 Ca 0.69 0.27 -0.21 0.00 0.00 0.00 0.00 44.72 45.47 1sgx s GLY 4 CO 0.31 0.00 0.59 -1.34 0.00 0.00 0.00 173.10 172.67 1sgx s VAL 5 N -2.79 5.05 -0.10 1.40 -7.23 -1.26 -1.39 120.40 114.08 1sgx s VAL 5 Ca -0.03 1.22 0.04 0.00 -1.81 0.00 0.00 61.98 61.40 1sgx s VAL 5 Cb -0.00 -3.93 -0.24 0.00 0.56 0.00 0.00 36.38 32.77 1sgx s VAL 5 CO -0.05 0.33 0.43 0.00 -0.31 0.00 0.00 175.10 175.50 1sgx n GLN 6 N 3.41 0.69 -3.57 4.82 6.02 0.17 -4.90 117.38 124.02 1sgx n GLN 6 Ca -0.05 0.25 -0.06 0.00 -0.01 0.00 0.00 57.00 57.13 1sgx n GLN 6 Cb 0.51 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 1sgx n GLN 6 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1sgx s SER 7 N -6.47 -0.28 -0.04 1.08 1.04 -1.06 -5.03 113.70 102.94 1sgx s SER 7 Ca -0.15 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1sgx s SER 7 Cb 0.07 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1sgx s SER 7 CO 0.79 -0.59 -0.06 -0.51 0.98 0.00 0.00 173.24 173.84 1sgx s ILE 8 N -3.00 0.62 -0.39 -1.02 2.07 -1.26 -1.12 121.20 117.10 1sgx s ILE 8 Ca 0.07 -0.22 -0.08 0.00 -1.41 0.00 0.00 60.65 59.01 1sgx s ILE 8 Cb -0.01 -0.60 0.06 0.00 0.13 0.00 0.00 42.46 42.04 1sgx s ILE 8 CO -0.06 0.23 0.21 0.21 -1.91 0.00 0.00 174.94 173.61 1sgx s ASN 9 N 0.60 5.56 0.00 4.50 3.84 0.11 -4.96 114.94 124.58 1sgx s ASN 9 Ca -0.08 -1.35 0.23 0.00 0.21 0.00 0.00 52.86 51.86 1sgx s ASN 9 Cb -0.12 -1.96 1.22 0.00 -0.55 0.00 0.00 41.25 39.85 1sgx s ASN 9 CO 0.01 -0.46 1.76 0.79 -2.79 0.00 0.00 177.10 176.40 1sgx n TRP 10 N 4.89 0.00 -4.17 0.43 7.02 -1.26 -1.15 117.44 123.20 1sgx n TRP 10 Ca -0.11 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.04 1sgx n TRP 10 Cb 0.44 -0.21 -0.06 0.00 -2.42 0.00 0.00 31.31 29.06 1sgx n TRP 10 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1sgx n GLN 11 N -1.21 -0.74 -0.08 -0.99 6.02 -1.26 -4.76 117.38 114.37 1sgx n GLN 11 Ca 0.13 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 57.11 1sgx n GLN 11 Cb 0.15 -3.02 -0.00 0.00 1.02 0.00 0.00 30.24 28.39 1sgx n GLN 11 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1sgx h THR 12 N -1.82 0.77 -0.01 5.09 2.02 -1.91 -0.38 112.91 116.66 1sgx h THR 12 Ca -0.63 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1sgx h THR 12 Cb 1.31 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1sgx h THR 12 CO 0.61 0.01 -0.08 0.00 0.37 0.00 0.00 175.52 176.44 1sgx h ALA 13 N 1.26 -0.07 0.10 6.16 0.00 -1.98 0.12 119.26 124.86 1sgx h ALA 13 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sgx h ALA 13 Cb 0.20 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1sgx h ALA 13 CO -0.25 -0.56 -0.15 0.35 0.00 0.00 0.00 179.25 178.63 1sgx h PHE 14 N -0.13 -0.40 -0.46 0.00 3.04 -1.87 -1.94 116.94 115.18 1sgx h PHE 14 Ca 0.03 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.91 1sgx h PHE 14 Cb 0.17 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1sgx h PHE 14 CO -0.15 -0.23 -0.02 -0.91 -2.02 0.00 0.00 178.31 174.98 1sgx h ASN 15 N -0.31 0.82 -0.09 0.41 2.35 -0.95 -2.50 115.58 115.31 1sgx h ASN 15 Ca 0.02 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1sgx h ASN 15 Cb 0.32 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1sgx h ASN 15 CO -0.08 0.94 -0.07 0.03 -1.65 0.00 0.00 177.43 176.60 1sgx h ARG 16 N 0.68 0.35 -0.21 0.81 3.08 -0.69 0.14 114.38 118.54 1sgx h ARG 16 Ca 0.13 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1sgx h ARG 16 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1sgx h ARG 16 CO 0.03 0.43 -0.01 0.37 -1.07 0.00 0.00 179.97 179.72 1sgx h GLN 17 N 0.34 0.37 -0.45 0.04 5.75 -1.20 -0.41 115.11 119.54 1sgx h GLN 17 Ca 0.07 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1sgx h GLN 17 Cb 0.33 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1sgx h GLN 17 CO 0.02 0.58 0.10 0.00 -2.65 0.00 0.00 178.83 176.87 1sgx h ALA 18 N 0.78 1.32 -0.14 3.38 0.00 -0.98 -2.46 119.26 121.17 1sgx h ALA 18 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sgx h ALA 18 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1sgx h ALA 18 CO 0.01 0.48 0.00 0.72 0.00 0.00 0.00 179.25 180.46 1sgx n HIS 19 N -4.29 0.18 -3.65 0.00 8.25 0.46 -4.95 115.22 111.21 1sgx n HIS 19 Ca 0.03 -0.09 -0.21 0.00 -0.26 0.00 0.00 57.72 57.19 1sgx n HIS 19 Cb 0.22 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.37 1sgx n HIS 19 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1sgx n HIS 20 N 0.11 -1.97 -1.00 4.41 -0.00 -0.36 -4.70 115.22 111.72 1sgx n HIS 20 Ca 0.15 0.86 0.01 0.00 -0.00 0.00 0.00 57.72 58.74 1sgx n HIS 20 Cb 0.28 -4.52 0.01 0.00 -0.00 0.00 0.00 29.99 25.76 1sgx n HIS 20 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1sgx n THR 21 N -4.25 0.42 0.59 1.59 -2.24 -0.31 -4.83 114.28 105.25 1sgx n THR 21 Ca -0.29 -0.46 0.10 0.00 -2.27 0.00 0.00 64.05 61.13 1sgx n THR 21 Cb 0.67 0.66 0.41 0.00 -2.10 0.00 0.00 70.33 69.97 1sgx n THR 21 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sgx n ASP 22 N -0.26 0.16 0.17 3.42 5.75 -1.16 -3.26 116.55 121.36 1sgx n ASP 22 Ca 0.02 0.53 0.12 0.00 -0.01 0.00 0.00 54.79 55.45 1sgx n ASP 22 Cb 0.50 -0.57 0.22 0.00 -1.03 0.00 0.00 41.12 40.24 1sgx n ASP 22 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1sgx h LYS 23 N 0.00 0.00 -6.54 0.11 1.57 -1.91 -3.45 116.57 106.35 1sgx h LYS 23 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1sgx h LYS 23 Cb 0.35 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.69 1sgx h LYS 23 CO 0.00 0.00 0.88 -0.06 -0.57 0.00 0.00 179.45 179.70 1sgx s PHE 24 N -3.19 2.91 -1.01 -1.35 0.40 -1.20 -4.82 117.98 109.72 1sgx s PHE 24 Ca 0.07 0.62 -0.23 0.00 -0.60 0.00 0.00 56.93 56.79 1sgx s PHE 24 Cb 0.08 -3.87 0.02 0.00 0.51 0.00 0.00 43.02 39.76 1sgx s PHE 24 CO 0.66 -3.27 1.61 0.45 0.70 0.00 0.00 175.22 175.37 1sgx s SER 25 N 1.53 6.13 0.07 1.36 0.15 0.07 -4.83 113.70 118.17 1sgx s SER 25 Ca 0.70 -1.31 -0.26 0.00 0.70 0.00 0.00 55.95 55.77 1sgx s SER 25 Cb -0.40 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.42 1sgx s SER 25 CO 0.31 -1.85 0.74 -0.55 1.20 0.00 0.00 173.24 173.09 1sgx s SER 26 N 5.77 -0.48 -0.00 5.45 0.15 -1.26 -4.24 113.70 119.10 1sgx s SER 26 Ca 0.53 0.05 0.19 0.00 0.70 0.00 0.00 55.95 57.43 1sgx s SER 26 Cb -0.02 0.49 -0.21 0.00 -1.71 0.00 0.00 66.02 64.57 1sgx s SER 26 CO -0.06 -0.78 0.79 0.00 1.20 0.00 0.00 173.24 174.39 1sgx n GLN 27 N -0.21 0.67 -1.20 5.44 1.13 -1.26 -5.00 117.38 116.94 1sgx n GLN 27 Ca -0.13 -0.01 -0.31 0.00 -1.94 0.00 0.00 57.00 54.61 1sgx n GLN 27 Cb 0.63 -1.41 0.11 0.00 0.11 0.00 0.00 30.24 29.68 1sgx n GLN 27 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1sgx s GLU 28 N -2.84 1.84 -0.55 -1.09 2.02 -1.26 -4.97 118.70 111.86 1sgx s GLU 28 Ca 0.06 1.08 -0.24 0.00 0.02 0.00 0.00 54.97 55.89 1sgx s GLU 28 Cb 0.14 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.56 1sgx s GLU 28 CO 0.79 -1.91 0.94 -1.17 0.02 0.00 0.00 175.26 173.94 1sgx s LEU 29 N -6.07 4.09 -0.23 1.80 2.96 -1.26 -5.01 118.68 114.96 1sgx s LEU 29 Ca 0.62 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.14 1sgx s LEU 29 Cb -0.18 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1sgx s LEU 29 CO 0.57 -1.22 0.05 -0.63 -1.32 0.00 0.00 176.35 173.80 1sgx s ILE 30 N 3.94 4.29 0.30 6.68 1.01 -1.26 -1.10 121.20 135.05 1sgx s ILE 30 Ca 0.31 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1sgx s ILE 30 Cb -0.12 -2.98 -0.06 0.00 0.01 0.00 0.00 42.46 39.30 1sgx s ILE 30 CO 0.20 0.37 0.03 -0.76 0.00 0.00 0.00 174.94 174.78 1sgx s LEU 31 N 1.34 2.22 -0.00 2.97 1.43 0.12 -4.59 118.68 122.17 1sgx s LEU 31 Ca 0.05 -1.32 0.08 0.00 -1.03 0.00 0.00 54.13 51.91 1sgx s LEU 31 Cb -0.15 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1sgx s LEU 31 CO 0.03 -0.55 -0.24 -0.13 0.23 0.00 0.00 176.35 175.69 1sgx s ARG 32 N -3.86 1.90 0.80 1.70 0.52 -1.26 0.44 118.95 119.18 1sgx s ARG 32 Ca 0.34 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 54.50 1sgx s ARG 32 Cb 0.07 -1.88 0.08 0.00 0.52 0.00 0.00 34.95 33.74 1sgx s ARG 32 CO 0.14 0.51 1.20 -0.98 0.02 0.00 0.00 175.30 176.19 1sgx s ARG 33 N -0.72 1.69 -0.80 3.54 1.70 -0.40 -3.55 118.95 120.41 1sgx s ARG 33 Ca 0.10 1.74 0.00 0.00 -0.47 0.00 0.00 55.73 57.10 1sgx s ARG 33 Cb -0.09 -1.78 0.00 0.00 -0.57 0.00 0.00 34.95 32.50 1sgx s ARG 33 CO -0.00 -2.17 0.00 0.41 -1.08 0.00 0.00 175.30 172.46 1sgx n GLY 34 N 0.44 0.91 2.95 3.88 0.00 -1.07 -4.64 105.19 107.66 1sgx n GLY 34 Ca 0.13 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1sgx n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgx s GLN 35 N -2.33 0.67 0.71 1.61 0.74 -1.23 -4.79 119.66 115.04 1sgx s GLN 35 Ca 0.00 -0.19 -0.14 0.00 0.05 0.00 0.00 55.36 55.08 1sgx s GLN 35 Cb 0.00 -0.67 0.03 0.00 1.10 0.00 0.00 33.01 33.47 1sgx s GLN 35 CO 0.00 0.05 1.14 -0.80 -0.55 0.00 0.00 175.29 175.13 1sgx s ASN 36 N 0.29 4.66 -0.04 6.67 0.02 -1.26 -4.32 114.94 120.95 1sgx s ASN 36 Ca -0.04 2.09 -0.06 0.00 -1.02 0.00 0.00 52.86 53.83 1sgx s ASN 36 Cb -0.08 -2.56 0.01 0.00 0.02 0.00 0.00 41.25 38.64 1sgx s ASN 36 CO -0.00 -1.94 0.16 0.72 0.02 0.00 0.00 177.10 176.06 1sgx s PHE 37 N -2.32 -0.12 -0.13 2.20 -0.71 0.08 -4.97 117.98 112.01 1sgx s PHE 37 Ca 0.68 0.28 -0.04 0.00 -1.04 0.00 0.00 56.93 56.81 1sgx s PHE 37 Cb -0.23 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 1sgx s PHE 37 CO 0.45 -0.14 0.02 -1.14 -1.34 0.00 0.00 175.22 173.07 1sgx s GLN 38 N -0.32 3.47 0.13 1.99 0.74 -1.26 -0.76 119.66 123.65 1sgx s GLN 38 Ca -0.04 -0.40 0.05 0.00 0.05 0.00 0.00 55.36 55.03 1sgx s GLN 38 Cb -0.03 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1sgx s GLN 38 CO 0.01 0.47 -0.12 0.14 -0.55 0.00 0.00 175.29 175.23 1sgx s VAL 39 N -0.23 1.26 -0.17 1.34 -7.23 -0.20 -4.52 120.40 110.65 1sgx s VAL 39 Ca 0.06 -1.84 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1sgx s VAL 39 Cb -0.12 -1.63 -0.00 0.00 0.56 0.00 0.00 36.38 35.19 1sgx s VAL 39 CO 0.02 -0.54 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.38 1sgx s LEU 40 N -2.71 2.58 -0.30 1.32 1.43 -0.30 -1.40 118.68 119.30 1sgx s LEU 40 Ca 0.12 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1sgx s LEU 40 Cb -0.02 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.64 1sgx s LEU 40 CO 0.02 0.06 -0.01 -0.32 0.23 0.00 0.00 176.35 176.33 1sgx s MET 41 N 0.99 2.42 -0.42 1.70 1.75 -0.17 0.08 119.30 125.64 1sgx s MET 41 Ca -0.02 -1.27 -0.25 0.00 -1.25 0.00 0.00 55.69 52.90 1sgx s MET 41 Cb -0.15 -3.16 0.02 0.00 2.84 0.00 0.00 34.83 34.38 1sgx s MET 41 CO -0.02 -0.62 0.90 0.42 -0.65 0.00 0.00 175.02 175.06 1sgx s ILE 42 N 1.24 4.54 0.58 10.11 1.01 -0.27 -1.26 121.20 137.16 1sgx s ILE 42 Ca -0.05 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1sgx s ILE 42 Cb -0.20 -4.37 0.05 0.00 0.01 0.00 0.00 42.46 37.94 1sgx s ILE 42 CO -0.01 -0.69 0.82 -0.04 0.00 0.00 0.00 174.94 175.01 1sgx s MET 43 N 3.58 2.41 0.01 2.79 -1.94 0.55 -0.65 119.30 126.06 1sgx s MET 43 Ca 0.36 -0.77 0.27 0.00 -1.71 0.00 0.00 55.69 53.85 1sgx s MET 43 Cb -0.11 -2.44 0.90 0.00 2.01 0.00 0.00 34.83 35.19 1sgx s MET 43 CO 0.23 -0.85 1.70 0.27 -0.01 0.00 0.00 175.02 176.36 1sgx n ASN 44 N -2.45 0.26 -2.34 3.03 6.94 -0.48 -4.67 115.26 115.54 1sgx n ASN 44 Ca 0.09 0.20 -0.07 0.00 -0.02 0.00 0.00 54.58 54.78 1sgx n ASN 44 Cb 0.60 -0.20 0.02 0.00 -2.36 0.00 0.00 39.78 37.84 1sgx n ASN 44 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1sgx n LYS 45 N -1.56 0.82 -2.68 -3.83 2.85 -1.26 -5.03 118.16 107.47 1sgx n LYS 45 Ca 0.06 -1.69 -0.33 0.00 -1.05 0.00 0.00 58.31 55.30 1sgx n LYS 45 Cb 0.35 2.07 -0.05 0.00 -0.65 0.00 0.00 35.03 36.74 1sgx n LYS 45 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1sgx s GLY 46 N -2.54 2.38 -0.34 2.58 0.00 -1.26 -4.70 107.32 103.43 1sgx s GLY 46 Ca 0.12 0.43 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 1sgx s GLY 46 CO 0.09 0.72 1.63 -2.27 0.00 0.00 0.00 173.10 173.28 1sgx s LEU 47 N -3.39 3.58 0.50 0.66 0.20 -1.26 -4.96 118.68 114.01 1sgx s LEU 47 Ca 0.63 1.18 -0.22 0.00 0.69 0.00 0.00 54.13 56.41 1sgx s LEU 47 Cb -0.11 -3.53 -0.06 0.00 -0.43 0.00 0.00 46.19 42.05 1sgx s LEU 47 CO 0.17 -1.54 1.21 -0.83 -0.29 0.00 0.00 176.35 175.07 1sgx s GLY 48 N 5.04 2.79 0.35 7.98 0.00 -1.26 -4.92 107.32 117.30 1sgx s GLY 48 Ca 0.72 1.02 0.05 0.00 0.00 0.00 0.00 44.72 46.51 1sgx s GLY 48 CO 0.33 1.48 1.95 0.23 0.00 0.00 0.00 173.10 177.08 1sgx h SER 49 N 1.70 0.71 -0.51 1.64 0.87 -2.03 -1.65 113.55 114.27 1sgx h SER 49 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1sgx h SER 49 Cb 1.27 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1sgx h SER 49 CO 0.59 0.46 0.00 -3.20 -0.53 0.00 0.00 176.83 174.14 1sgx n ASN 50 N -4.48 3.11 -4.88 6.23 5.15 -1.26 -4.93 115.26 114.20 1sgx n ASN 50 Ca 0.11 -2.11 -0.21 0.00 -0.60 0.00 0.00 54.58 51.77 1sgx n ASN 50 Cb 0.22 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 39.04 1sgx n ASN 50 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1sgx s GLU 51 N -1.45 2.98 0.01 1.20 2.02 -0.62 -4.93 118.70 117.91 1sgx s GLU 51 Ca 0.36 -1.07 -0.05 0.00 0.02 0.00 0.00 54.97 54.24 1sgx s GLU 51 Cb 0.20 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 1sgx s GLU 51 CO 0.22 0.27 0.08 0.50 0.02 0.00 0.00 175.26 176.35 1sgx s ARG 52 N -3.96 0.44 -0.10 1.61 3.52 -1.01 -4.87 118.95 114.57 1sgx s ARG 52 Ca 0.37 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 1sgx s ARG 52 Cb -0.08 0.17 0.01 0.00 -1.56 0.00 0.00 34.95 33.49 1sgx s ARG 52 CO 0.27 -0.10 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.96 1sgx s LEU 53 N -1.47 1.93 -0.23 -0.88 1.43 -1.26 -1.37 118.68 116.82 1sgx s LEU 53 Ca -0.14 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1sgx s LEU 53 Cb -0.08 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.95 1sgx s LEU 53 CO 0.00 0.09 -0.14 -1.61 0.23 0.00 0.00 176.35 174.93 1sgx s GLU 54 N 0.63 2.44 0.34 1.70 0.41 0.09 -1.18 118.70 123.14 1sgx s GLU 54 Ca -0.13 -1.17 -0.24 0.00 -0.41 0.00 0.00 54.97 53.02 1sgx s GLU 54 Cb -0.16 -2.77 -0.10 0.00 -1.78 0.00 0.00 34.13 29.31 1sgx s GLU 54 CO 0.04 -0.46 0.92 -0.06 -0.49 0.00 0.00 175.26 175.21 1sgx s PHE 55 N 1.17 3.57 -0.12 1.61 0.40 0.13 -0.76 117.98 123.98 1sgx s PHE 55 Ca -0.05 1.68 -0.02 0.00 -0.60 0.00 0.00 56.93 57.95 1sgx s PHE 55 Cb -0.18 -2.86 0.04 0.00 0.51 0.00 0.00 43.02 40.53 1sgx s PHE 55 CO -0.07 0.13 -0.00 0.42 0.70 0.00 0.00 175.22 176.39 1sgx s ILE 56 N -1.78 0.58 0.01 0.64 1.01 0.27 -1.47 121.20 120.47 1sgx s ILE 56 Ca 0.53 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.03 1sgx s ILE 56 Cb -0.15 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1sgx s ILE 56 CO 0.20 0.12 -0.16 0.68 0.00 0.00 0.00 174.94 175.79 1sgx s VAL 57 N 1.87 2.94 -0.05 2.92 -7.23 -0.69 -0.30 120.40 119.86 1sgx s VAL 57 Ca 0.03 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.95 1sgx s VAL 57 Cb -0.14 -2.21 0.05 0.00 0.56 0.00 0.00 36.38 34.64 1sgx s VAL 57 CO -0.07 0.43 0.56 -0.94 -0.31 0.00 0.00 175.10 174.76 1sgx s SER 58 N -1.21 -0.51 0.02 4.85 1.04 -0.74 -1.22 113.70 115.93 1sgx s SER 58 Ca 0.14 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1sgx s SER 58 Cb -0.11 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1sgx s SER 58 CO 0.04 -0.53 -0.02 0.28 0.98 0.00 0.00 173.24 173.98 1sgx s THR 59 N -1.14 0.11 0.00 2.02 -1.32 -0.70 -0.90 115.64 113.70 1sgx s THR 59 Ca -0.11 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 1sgx s THR 59 Cb -0.02 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 1sgx s THR 59 CO 0.08 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 1sgx n GLY 60 N 2.03 -0.76 0.25 6.08 0.00 -1.26 -4.25 105.19 107.27 1sgx n GLY 60 Ca -0.20 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.26 1sgx n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgx h PRO 61 N 0.00 0.00 -2.09 1.61 0.13 -1.98 -3.35 132.00 126.32 1sgx h PRO 61 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 1sgx h PRO 61 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1sgx h PRO 61 CO 0.00 0.13 -0.91 0.66 -0.23 0.00 0.00 178.00 177.66 1sgx n TYR 62 N -3.35 1.42 -1.70 1.56 4.01 -1.26 -5.09 117.16 112.74 1sgx n TYR 62 Ca -0.00 -3.83 -0.57 0.00 -0.16 0.00 0.00 57.90 53.34 1sgx n TYR 62 Cb 0.34 -0.44 -0.07 0.00 -0.31 0.00 0.00 39.34 38.86 1sgx n TYR 62 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1sgx n PRO 63 N 0.94 1.16 -3.79 -0.72 -0.02 -1.26 -4.95 135.00 126.37 1sgx n PRO 63 Ca 0.25 0.42 -0.24 0.00 -2.02 0.00 0.00 63.50 61.92 1sgx n PRO 63 Cb 0.49 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 1sgx n PRO 63 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sgx s SER 64 N 3.30 1.81 0.25 2.55 0.15 -1.25 -4.80 113.70 115.71 1sgx s SER 64 Ca 0.97 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.40 1sgx s SER 64 Cb -1.06 -0.51 0.44 0.00 -1.71 0.00 0.00 66.02 63.18 1sgx s SER 64 CO 0.64 -0.19 1.80 -0.33 1.20 0.00 0.00 173.24 176.36 1sgx h GLU 65 N 8.30 0.74 -0.11 5.44 3.07 -1.90 -1.01 114.58 129.11 1sgx h GLU 65 Ca -0.21 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.56 1sgx h GLU 65 Cb 1.12 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 1sgx h GLU 65 CO 0.29 0.49 -0.16 0.77 -1.40 0.00 0.00 179.01 178.99 1sgx h SER 66 N 0.76 0.16 -0.41 1.42 0.02 -1.95 -2.69 113.55 110.86 1sgx h SER 66 Ca 0.42 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1sgx h SER 66 Cb 0.45 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1sgx h SER 66 CO -0.28 0.34 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1sgx n ALA 67 N -2.49 2.44 -1.01 3.77 0.00 -0.48 -4.92 120.51 117.81 1sgx n ALA 67 Ca -0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 53.44 52.56 1sgx n ALA 67 Cb 0.28 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1sgx n ALA 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sgx n MET 68 N 1.04 -1.02 -0.38 0.00 0.00 -0.82 -4.74 117.12 111.20 1sgx n MET 68 Ca 0.18 0.27 0.08 0.00 0.00 0.00 0.00 57.70 58.23 1sgx n MET 68 Cb 0.48 -4.04 0.27 0.00 0.00 0.00 0.00 33.22 29.92 1sgx n MET 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1sgx n THR 69 N -2.49 1.05 -3.59 2.03 -2.24 -0.61 -4.60 114.28 103.83 1sgx n THR 69 Ca -0.00 -0.84 -0.15 0.00 -2.27 0.00 0.00 64.05 60.79 1sgx n THR 69 Cb 0.26 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1sgx n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sgx s LYS 70 N -1.46 0.92 -0.12 -0.78 2.20 -1.17 -1.72 119.74 117.61 1sgx s LYS 70 Ca 0.39 0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 56.63 1sgx s LYS 70 Cb 0.23 0.44 0.03 0.00 -1.51 0.00 0.00 37.83 37.02 1sgx s LYS 70 CO 0.23 -0.18 0.32 0.00 -0.36 0.00 0.00 175.35 175.36 1sgx s ALA 71 N -0.18 -0.79 -0.17 3.13 0.00 -0.36 -3.89 121.76 119.50 1sgx s ALA 71 Ca -0.04 0.95 0.01 0.00 0.00 0.00 0.00 51.96 52.87 1sgx s ALA 71 Cb -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1sgx s ALA 71 CO 0.04 -0.16 -0.14 0.08 0.00 0.00 0.00 175.76 175.58 1sgx s VAL 72 N 0.32 1.70 -0.00 0.00 1.01 -1.26 -1.70 120.40 120.46 1sgx s VAL 72 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1sgx s VAL 72 Cb -0.03 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 1sgx s VAL 72 CO -0.01 0.38 -0.01 0.72 0.00 0.00 0.00 175.10 176.18 1sgx s PHE 73 N 1.42 0.12 0.45 5.22 -0.71 -0.54 -4.97 117.98 118.96 1sgx s PHE 73 Ca 0.03 -0.03 -0.15 0.00 -1.04 0.00 0.00 56.93 55.74 1sgx s PHE 73 Cb -0.14 -0.07 -0.08 0.00 -1.21 0.00 0.00 43.02 41.52 1sgx s PHE 73 CO -0.10 -0.00 0.89 -1.25 -1.34 0.00 0.00 175.22 173.41 1sgx s PRO 74 N -0.04 3.92 -0.17 1.99 0.04 -1.26 0.18 135.00 139.66 1sgx s PRO 74 Ca 0.00 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.53 1sgx s PRO 74 Cb -0.01 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1sgx s PRO 74 CO -0.00 -0.13 1.31 -1.17 0.04 0.00 0.00 177.00 177.05 1sgx s LEU 75 N -3.81 4.16 0.00 -3.56 0.20 -0.32 -4.08 118.68 111.26 1sgx s LEU 75 Ca 0.56 1.69 0.00 0.00 0.69 0.00 0.00 54.13 57.08 1sgx s LEU 75 Cb -0.10 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 1sgx s LEU 75 CO 0.28 -0.82 0.00 -1.20 -0.29 0.00 0.00 176.35 174.32 1sgx n SER 76 N 6.81 1.73 0.00 3.68 7.64 0.15 -4.84 113.62 128.78 1sgx n SER 76 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1sgx n SER 76 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1sgx n SER 76 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sgx n ASN 77 N 0.00 1.08 -4.50 6.43 5.03 -1.26 0.18 115.26 122.22 1sgx n ASN 77 Ca 0.00 -0.12 -0.34 0.00 0.87 0.00 0.00 54.58 54.99 1sgx n ASN 77 Cb 0.00 0.46 -0.12 0.00 -1.02 0.00 0.00 39.78 39.10 1sgx n ASN 77 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1sgx s GLY 78 N -0.67 1.71 -0.09 7.41 0.00 -1.26 -4.84 107.32 109.57 1sgx s GLY 78 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 1sgx s GLY 78 CO 0.00 -0.09 1.53 -0.45 0.00 0.00 0.00 173.10 174.09 1sgx s SER 79 N 0.33 6.75 0.32 1.64 0.15 -1.26 -4.84 113.70 116.78 1sgx s SER 79 Ca -0.04 2.05 0.06 0.00 0.70 0.00 0.00 55.95 58.72 1sgx s SER 79 Cb -0.14 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 1sgx s SER 79 CO 0.03 -0.88 0.42 -0.55 1.20 0.00 0.00 173.24 173.46 1sgx s SER 80 N 2.93 5.91 0.00 5.45 0.15 -1.26 -5.12 113.70 121.76 1sgx s SER 80 Ca 0.67 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1sgx s SER 80 Cb -0.29 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1sgx s SER 80 CO 0.25 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1sgx n GLY 81 N -1.55 -0.11 3.52 9.45 0.00 -1.26 -4.48 105.19 110.76 1sgx n GLY 81 Ca -0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1sgx n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgx n GLY 82 N 3.28 -0.33 1.61 -0.02 0.00 -1.26 -3.89 105.19 104.57 1sgx n GLY 82 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1sgx n GLY 82 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sgx n TRP 83 N 10.95 -2.68 -3.68 1.61 7.02 -1.19 -4.78 117.44 124.69 1sgx n TRP 83 Ca 0.59 1.60 -0.10 0.00 -1.02 0.00 0.00 57.50 58.57 1sgx n TRP 83 Cb 0.22 -2.99 -0.04 0.00 -2.42 0.00 0.00 31.31 26.08 1sgx n TRP 83 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1sgx s SER 84 N -0.31 -0.25 -0.03 -0.99 1.04 -0.30 -4.88 113.70 107.98 1sgx s SER 84 Ca 0.00 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 1sgx s SER 84 Cb 0.00 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1sgx s SER 84 CO 0.00 -0.95 0.04 0.00 0.98 0.00 0.00 173.24 173.31 1sgx s ALA 85 N -3.84 0.21 -0.12 5.32 0.00 -1.26 -1.00 121.76 121.08 1sgx s ALA 85 Ca 0.06 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1sgx s ALA 85 Cb 0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1sgx s ALA 85 CO -0.08 -0.32 -0.19 0.08 0.00 0.00 0.00 175.76 175.25 1sgx s VAL 86 N 1.68 2.45 -0.58 0.00 1.01 -0.25 0.31 120.40 125.03 1sgx s VAL 86 Ca -0.01 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 1sgx s VAL 86 Cb -0.12 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1sgx s VAL 86 CO -0.03 0.54 1.15 -0.22 0.00 0.00 0.00 175.10 176.54 1sgx s LEU 87 N 0.44 3.57 0.06 3.92 2.96 0.13 -1.33 118.68 128.42 1sgx s LEU 87 Ca -0.14 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1sgx s LEU 87 Cb -0.17 -3.09 -0.25 0.00 0.50 0.00 0.00 46.19 43.18 1sgx s LEU 87 CO 0.06 -1.44 1.06 1.56 -1.32 0.00 0.00 176.35 176.27 1sgx h GLN 88 N 9.51 0.13 -2.60 1.98 4.20 -1.05 -3.45 115.11 123.83 1sgx h GLN 88 Ca -0.25 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.26 1sgx h GLN 88 Cb 1.06 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 28.78 1sgx h GLN 88 CO 1.17 1.02 0.32 0.00 -0.67 0.00 0.00 178.83 180.68 1sgx s ALA 89 N -2.66 -1.71 -0.06 3.87 0.00 -1.17 -5.00 121.76 115.04 1sgx s ALA 89 Ca -0.04 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 1sgx s ALA 89 Cb 0.08 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1sgx s ALA 89 CO 0.85 -0.69 0.00 -1.12 0.00 0.00 0.00 175.76 174.80 1sgx s SER 90 N -2.46 1.44 -0.26 0.00 0.01 -1.26 -0.74 113.70 110.43 1sgx s SER 90 Ca 0.01 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.19 1sgx s SER 90 Cb -0.01 -0.41 0.08 0.00 0.21 0.00 0.00 66.02 65.89 1sgx s SER 90 CO -0.09 -0.18 0.04 0.20 0.41 0.00 0.00 173.24 173.62 1sgx s ASN 91 N 1.84 3.63 1.52 2.44 0.01 -0.02 -4.99 114.94 119.37 1sgx s ASN 91 Ca 0.03 -1.28 0.00 0.00 -0.71 0.00 0.00 52.86 50.90 1sgx s ASN 91 Cb -0.12 -0.86 0.00 0.00 0.41 0.00 0.00 41.25 40.68 1sgx s ASN 91 CO -0.04 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 1sgx n GLY 92 N 4.86 3.05 1.09 0.66 0.00 -1.26 -1.19 105.19 112.41 1sgx n GLY 92 Ca -0.06 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1sgx n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sgx n ASN 93 N 8.28 3.54 -4.65 1.61 3.02 -1.26 -4.70 115.26 121.09 1sgx n ASN 93 Ca 0.00 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.19 1sgx n ASN 93 Cb 0.00 -0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 38.71 1sgx n ASN 93 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sgx s THR 94 N -1.05 5.31 -0.17 3.41 2.01 -0.33 -0.33 115.64 124.50 1sgx s THR 94 Ca 0.39 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.63 1sgx s THR 94 Cb 0.21 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1sgx s THR 94 CO 0.27 0.31 0.05 -0.76 -0.69 0.00 0.00 174.62 173.80 1sgx s LEU 95 N 1.22 3.77 -0.37 4.42 1.43 -0.39 -0.84 118.68 127.92 1sgx s LEU 95 Ca 0.10 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 1sgx s LEU 95 Cb -0.14 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 1sgx s LEU 95 CO 0.06 0.20 0.29 -0.89 0.23 0.00 0.00 176.35 176.24 1sgx s THR 96 N 0.20 5.25 -0.04 5.49 2.01 0.08 -1.00 115.64 127.63 1sgx s THR 96 Ca 0.04 -0.33 0.07 0.00 0.31 0.00 0.00 61.69 61.78 1sgx s THR 96 Cb -0.12 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1sgx s THR 96 CO 0.01 -0.14 -0.25 -0.63 -0.69 0.00 0.00 174.62 172.92 1sgx s ILE 97 N 1.78 2.01 -0.27 1.82 1.01 -0.49 -0.41 121.20 126.65 1sgx s ILE 97 Ca 0.07 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 1sgx s ILE 97 Cb -0.18 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1sgx s ILE 97 CO 0.11 0.56 0.02 -0.55 0.00 0.00 0.00 174.94 175.09 1sgx s SER 98 N -0.33 4.79 -0.06 3.58 0.15 -0.44 -1.03 113.70 120.35 1sgx s SER 98 Ca 0.02 -0.64 -0.01 0.00 0.70 0.00 0.00 55.95 56.02 1sgx s SER 98 Cb -0.12 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.35 1sgx s SER 98 CO 0.02 -0.13 0.01 -0.63 1.20 0.00 0.00 173.24 173.71 1sgx s ILE 99 N 1.47 4.35 0.09 6.45 1.01 0.06 -1.09 121.20 133.53 1sgx s ILE 99 Ca 0.03 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1sgx s ILE 99 Cb -0.16 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1sgx s ILE 99 CO -0.00 0.53 -0.11 -0.55 0.00 0.00 0.00 174.94 174.81 1sgx s SER 100 N -1.13 1.48 0.31 3.58 0.15 -0.17 -0.74 113.70 117.18 1sgx s SER 100 Ca 0.16 -0.73 0.09 0.00 0.70 0.00 0.00 55.95 56.17 1sgx s SER 100 Cb -0.11 -0.01 -0.06 0.00 -1.71 0.00 0.00 66.02 64.13 1sgx s SER 100 CO 0.05 -0.20 -0.11 -0.94 1.20 0.00 0.00 173.24 173.25 1sgx s SER 101 N -2.16 3.44 0.42 5.45 1.04 -1.26 -1.14 113.70 119.49 1sgx s SER 101 Ca 0.02 -1.16 -0.22 0.00 0.48 0.00 0.00 55.95 55.07 1sgx s SER 101 Cb -0.06 -0.29 -0.10 0.00 0.10 0.00 0.00 66.02 65.67 1sgx s SER 101 CO 0.01 -0.19 0.98 -2.16 0.98 0.00 0.00 173.24 172.86 1sgx s PRO 102 N -3.62 4.17 0.08 4.02 0.04 -1.26 -2.59 135.00 135.84 1sgx s PRO 102 Ca 0.31 1.25 0.13 0.00 0.04 0.00 0.00 61.00 62.73 1sgx s PRO 102 Cb 0.01 -2.29 0.58 0.00 0.04 0.00 0.00 34.50 32.84 1sgx s PRO 102 CO 0.15 -0.09 1.41 0.00 0.04 0.00 0.00 177.00 178.51 1sgx n ALA 103 N -0.48 1.43 -0.80 8.56 0.00 -1.26 -1.82 120.51 126.13 1sgx n ALA 103 Ca 0.07 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1sgx n ALA 103 Cb 0.53 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 19.02 1sgx n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sgx n SER 104 N -1.71 3.87 -4.78 0.00 3.41 -1.26 -4.71 113.62 108.44 1sgx n SER 104 Ca 0.02 -2.78 -0.35 0.00 -0.26 0.00 0.00 58.87 55.50 1sgx n SER 104 Cb 0.12 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 1sgx n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgx s ALA 105 N -2.41 2.85 0.44 7.33 0.00 -0.76 -4.78 121.76 124.44 1sgx s ALA 105 Ca 0.40 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.85 1sgx s ALA 105 Cb 0.30 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 1sgx s ALA 105 CO 0.12 -0.49 1.16 -2.14 0.00 0.00 0.00 175.76 174.40 1sgx s PRO 106 N -3.11 3.88 0.54 0.00 0.02 -1.26 -4.47 135.00 130.59 1sgx s PRO 106 Ca 0.68 1.77 -0.05 0.00 0.02 0.00 0.00 61.00 63.42 1sgx s PRO 106 Cb -0.21 -2.49 -0.01 0.00 0.02 0.00 0.00 34.50 31.81 1sgx s PRO 106 CO 0.25 -0.45 0.84 0.96 -0.33 0.00 0.00 177.00 178.26 1sgx s ILE 107 N -1.52 4.15 -3.77 2.83 -4.36 -0.58 -4.85 121.20 113.10 1sgx s ILE 107 Ca 0.61 0.04 0.00 0.00 -0.26 0.00 0.00 60.65 61.04 1sgx s ILE 107 Cb -0.29 -3.61 0.00 0.00 1.25 0.00 0.00 42.46 39.82 1sgx s ILE 107 CO 0.35 -0.60 0.00 0.61 0.24 0.00 0.00 174.94 175.54 1sgx n GLY 108 N -2.42 0.86 3.69 6.27 0.00 0.22 -4.90 105.19 108.91 1sgx n GLY 108 Ca 0.03 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1sgx n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgx s ARG 109 N -1.51 4.28 0.23 1.61 0.52 -1.26 -0.60 118.95 122.23 1sgx s ARG 109 Ca 0.00 0.50 0.11 0.00 -0.52 0.00 0.00 55.73 55.82 1sgx s ARG 109 Cb 0.00 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.93 1sgx s ARG 109 CO 0.00 -0.01 -0.18 0.71 0.02 0.00 0.00 175.30 175.85 1sgx s TYR 110 N 1.15 2.40 0.03 -0.53 1.51 -0.03 -4.27 117.35 117.61 1sgx s TYR 110 Ca 0.27 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 56.09 1sgx s TYR 110 Cb -0.16 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1sgx s TYR 110 CO 0.11 0.59 -0.20 0.99 -1.11 0.00 0.00 175.55 175.93 1sgx s THR 111 N -2.04 2.60 -0.09 -0.71 2.01 -0.08 -1.88 115.64 115.45 1sgx s THR 111 Ca 0.26 -1.20 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1sgx s THR 111 Cb -0.07 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1sgx s THR 111 CO 0.14 0.38 -0.22 -0.32 -0.69 0.00 0.00 174.62 173.90 1sgx s MET 112 N -1.29 2.71 0.18 4.92 1.75 0.87 -1.79 119.30 126.65 1sgx s MET 112 Ca 0.13 -0.80 0.06 0.00 -1.25 0.00 0.00 55.69 53.83 1sgx s MET 112 Cb -0.10 -2.10 -0.05 0.00 2.84 0.00 0.00 34.83 35.42 1sgx s MET 112 CO 0.04 0.19 -0.10 0.00 -0.65 0.00 0.00 175.02 174.49 1sgx s ALA 113 N 0.31 1.74 -0.07 4.11 0.00 0.59 0.02 121.76 128.45 1sgx s ALA 113 Ca -0.15 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.23 1sgx s ALA 113 Cb -0.17 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1sgx s ALA 113 CO 0.07 -0.06 -0.16 -1.17 0.00 0.00 0.00 175.76 174.44 1sgx s LEU 114 N -3.25 1.80 -0.19 0.00 2.96 0.93 -0.56 118.68 120.36 1sgx s LEU 114 Ca 0.21 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1sgx s LEU 114 Cb 0.02 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 1sgx s LEU 114 CO 0.04 0.08 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.56 1sgx s GLN 115 N 0.52 3.59 -0.18 1.98 0.74 0.06 -1.66 119.66 124.71 1sgx s GLN 115 Ca -0.15 -0.54 -0.02 0.00 0.05 0.00 0.00 55.36 54.70 1sgx s GLN 115 Cb -0.16 -3.03 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 1sgx s GLN 115 CO 0.05 0.04 -0.08 0.42 -0.55 0.00 0.00 175.29 175.17 1sgx s ILE 116 N 0.92 3.29 -0.41 -2.34 1.01 0.54 -0.73 121.20 123.47 1sgx s ILE 116 Ca 0.01 -0.54 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1sgx s ILE 116 Cb -0.14 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1sgx s ILE 116 CO 0.02 0.47 0.32 -0.36 0.00 0.00 0.00 174.94 175.39 1sgx s PHE 117 N 0.97 3.23 -0.18 3.97 0.08 -0.47 -1.32 117.98 124.25 1sgx s PHE 117 Ca -0.01 -0.53 -0.15 0.00 0.12 0.00 0.00 56.93 56.36 1sgx s PHE 117 Cb -0.15 -2.64 0.05 0.00 -0.57 0.00 0.00 43.02 39.72 1sgx s PHE 117 CO -0.00 -0.59 0.47 0.45 -0.10 0.00 0.00 175.22 175.45 1sgx s SER 118 N 1.70 -0.52 -1.44 1.36 0.15 -0.73 -2.41 113.70 111.83 1sgx s SER 118 Ca 0.06 0.97 -0.04 0.00 0.70 0.00 0.00 55.95 57.64 1sgx s SER 118 Cb -0.19 0.96 0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1sgx s SER 118 CO 0.11 -0.17 0.59 0.00 1.20 0.00 0.00 173.24 174.96 1sgx n GLN 119 N 3.12 -3.90 -0.94 5.44 6.02 -1.26 -1.09 117.38 124.78 1sgx n GLN 119 Ca -0.15 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1sgx n GLN 119 Cb 0.57 -4.86 0.00 0.00 1.02 0.00 0.00 30.24 26.97 1sgx n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgx n GLY 120 N -1.79 0.27 3.60 1.08 0.00 -1.26 -4.97 105.19 102.12 1sgx n GLY 120 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1sgx n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgx s GLY 121 N -2.00 2.86 -0.01 -0.02 0.00 -0.25 -5.16 107.32 102.74 1sgx s GLY 121 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 43.93 1sgx s GLY 121 CO 0.00 -1.94 -0.03 -0.42 0.00 0.00 0.00 173.10 170.71 1sgx s ILE 122 N -3.09 0.27 0.08 0.90 1.01 -1.26 -1.77 121.20 117.34 1sgx s ILE 122 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1sgx s ILE 122 Cb 0.01 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 1sgx s ILE 122 CO 0.11 0.09 -0.08 -0.94 0.00 0.00 0.00 174.94 174.12 1sgx s SER 123 N 0.11 1.20 0.09 3.58 1.04 -0.44 -4.97 113.70 114.31 1sgx s SER 123 Ca -0.01 -0.80 0.07 0.00 0.48 0.00 0.00 55.95 55.70 1sgx s SER 123 Cb -0.04 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1sgx s SER 123 CO -0.00 -0.30 -0.18 -0.44 0.98 0.00 0.00 173.24 173.29 1sgx s SER 124 N -2.38 2.18 -0.20 7.02 0.01 -1.26 -0.34 113.70 118.73 1sgx s SER 124 Ca 0.03 -0.66 -0.16 0.00 1.31 0.00 0.00 55.95 56.47 1sgx s SER 124 Cb -0.02 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.16 1sgx s SER 124 CO -0.01 0.00 0.51 0.54 0.41 0.00 0.00 173.24 174.69 1sgx s VAL 125 N -1.21 -0.00 -0.02 3.43 0.11 -0.67 -4.99 120.40 117.04 1sgx s VAL 125 Ca 0.03 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.81 1sgx s VAL 125 Cb -0.10 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1sgx s VAL 125 CO 0.03 0.01 0.92 -0.75 -3.33 0.00 0.00 175.10 171.99 1sgx s LYS 126 N 0.59 4.52 -0.10 1.54 2.20 -1.26 -0.05 119.74 127.18 1sgx s LYS 126 Ca -0.03 1.31 -0.12 0.00 -0.36 0.00 0.00 55.97 56.77 1sgx s LYS 126 Cb -0.05 -3.47 -0.27 0.00 -1.51 0.00 0.00 37.83 32.54 1sgx s LYS 126 CO -0.03 -0.05 0.50 -0.07 -0.36 0.00 0.00 175.35 175.33 1sgx h LEU 127 N 6.90 0.43 0.00 5.43 3.38 -0.73 -3.47 115.31 127.25 1sgx h LEU 127 Ca -0.40 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.68 1sgx h LEU 127 Cb 1.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1sgx h LEU 127 CO 0.76 1.74 0.00 0.61 0.09 0.00 0.00 178.44 181.64 1sgx n GLY 128 N 1.84 -0.91 3.33 0.83 0.00 -1.01 -4.99 105.19 104.28 1sgx n GLY 128 Ca -0.28 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 1sgx n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sgx s THR 129 N -3.00 1.11 0.22 2.61 -4.23 -1.26 -0.09 115.64 110.99 1sgx s THR 129 Ca 0.00 -2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 58.25 1sgx s THR 129 Cb 0.00 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.58 1sgx s THR 129 CO 0.00 -0.37 0.64 0.72 -0.54 0.00 0.00 174.62 175.08 1sgx s PHE 130 N -3.37 -0.34 -0.11 3.99 -0.71 -0.79 -4.59 117.98 112.06 1sgx s PHE 130 Ca 0.27 0.00 -0.01 0.00 -1.04 0.00 0.00 56.93 56.16 1sgx s PHE 130 Cb 0.05 0.61 -0.02 0.00 -1.21 0.00 0.00 43.02 42.44 1sgx s PHE 130 CO 0.08 -1.03 -0.09 0.42 -1.34 0.00 0.00 175.22 173.27 1sgx s ILE 131 N -3.84 3.49 -0.15 -4.49 1.01 -0.26 -0.85 121.20 116.12 1sgx s ILE 131 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1sgx s ILE 131 Cb -0.03 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 1sgx s ILE 131 CO -0.03 0.54 -0.16 -0.22 0.00 0.00 0.00 174.94 175.08 1sgx s LEU 132 N -0.07 2.48 0.50 2.97 2.96 0.23 0.12 118.68 127.87 1sgx s LEU 132 Ca -0.00 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 1sgx s LEU 132 Cb -0.13 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1sgx s LEU 132 CO 0.03 0.10 0.08 -0.76 -1.32 0.00 0.00 176.35 174.48 1sgx s LEU 133 N 0.73 2.45 0.63 -0.68 1.43 0.17 -0.61 118.68 122.81 1sgx s LEU 133 Ca -0.07 -1.53 -0.16 0.00 -1.03 0.00 0.00 54.13 51.34 1sgx s LEU 133 Cb -0.16 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 1sgx s LEU 133 CO 0.01 -0.85 1.11 -0.36 0.23 0.00 0.00 176.35 176.50 1sgx s PHE 134 N -2.83 2.63 -0.57 0.29 0.08 -0.69 -1.27 117.98 115.62 1sgx s PHE 134 Ca 0.15 1.55 0.04 0.00 0.12 0.00 0.00 56.93 58.79 1sgx s PHE 134 Cb 0.02 -3.20 0.14 0.00 -0.57 0.00 0.00 43.02 39.42 1sgx s PHE 134 CO 0.08 -1.67 0.34 1.21 -0.10 0.00 0.00 175.22 175.08 1sgx s ASN 135 N -2.41 4.37 0.00 1.36 3.84 -1.26 -4.66 114.94 116.18 1sgx s ASN 135 Ca 0.68 -3.28 0.06 0.00 0.21 0.00 0.00 52.86 50.54 1sgx s ASN 135 Cb -0.21 -1.56 0.32 0.00 -0.55 0.00 0.00 41.25 39.25 1sgx s ASN 135 CO 0.38 -0.18 1.09 -2.65 -2.79 0.00 0.00 177.10 172.95 1sgx n PRO 136 N 2.74 0.07 0.06 0.43 -0.02 -1.26 -1.77 135.00 135.26 1sgx n PRO 136 Ca 0.11 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1sgx n PRO 136 Cb 0.34 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.41 1sgx n PRO 136 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sgx n TRP 137 N -1.33 0.52 -3.28 6.00 8.01 -1.26 -1.22 117.44 124.88 1sgx n TRP 137 Ca 0.03 0.15 -0.40 0.00 -1.31 0.00 0.00 57.50 55.97 1sgx n TRP 137 Cb 0.06 -0.63 -0.08 0.00 -2.01 0.00 0.00 31.31 28.64 1sgx n TRP 137 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 1sgx s LEU 138 N -4.32 4.11 0.42 -0.99 2.96 -0.73 -4.97 118.68 115.18 1sgx s LEU 138 Ca 0.04 0.33 0.19 0.00 -0.22 0.00 0.00 54.13 54.47 1sgx s LEU 138 Cb 0.13 -2.58 1.12 0.00 0.50 0.00 0.00 46.19 45.36 1sgx s LEU 138 CO 0.76 -0.30 1.84 -0.55 -1.32 0.00 0.00 176.35 176.78 1sgx h ASN 139 N 8.16 0.38 0.50 3.68 -1.07 -1.89 -0.10 115.58 125.25 1sgx h ASN 139 Ca -0.29 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.12 1sgx h ASN 139 Cb 1.14 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.37 1sgx h ASN 139 CO 0.71 0.13 -0.33 1.33 0.07 0.00 0.00 177.43 179.35 1sgx n VAL 140 N -4.51 0.00 -2.45 6.14 0.24 -1.26 -4.84 118.33 111.64 1sgx n VAL 140 Ca 0.21 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.34 62.09 1sgx n VAL 140 Cb 0.77 0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.23 1sgx n VAL 140 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sgx s ASP 141 N -2.83 6.81 0.55 -1.34 3.68 -0.05 -4.92 116.67 118.58 1sgx s ASP 141 Ca 0.17 2.19 0.26 0.00 2.13 0.00 0.00 52.55 57.30 1sgx s ASP 141 Cb 0.18 -2.60 1.60 0.00 -1.45 0.00 0.00 42.92 40.65 1sgx s ASP 141 CO 0.61 -0.46 2.17 0.77 0.13 0.00 0.00 175.17 178.39 1sgx h SER 142 N 2.87 0.00 -0.53 -0.34 4.64 -1.86 -1.74 113.55 116.59 1sgx h SER 142 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1sgx h SER 142 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1sgx h SER 142 CO 0.63 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.98 1sgx n VAL 143 N -3.89 0.82 -1.59 0.95 0.24 -1.26 -1.71 118.33 111.89 1sgx n VAL 143 Ca -0.03 -0.74 -0.53 0.00 -2.04 0.00 0.00 64.34 61.00 1sgx n VAL 143 Cb 0.14 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.75 1sgx n VAL 143 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1sgx n PHE 144 N 1.02 1.45 -3.77 6.34 7.35 -0.66 -4.48 117.46 124.72 1sgx n PHE 144 Ca 0.18 0.68 -0.29 0.00 -0.76 0.00 0.00 57.45 57.26 1sgx n PHE 144 Cb 0.49 -2.31 -0.16 0.00 0.35 0.00 0.00 39.48 37.85 1sgx n PHE 144 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1sgx s MET 145 N 0.58 0.84 0.36 -4.13 -2.45 -0.36 -4.91 119.30 109.23 1sgx s MET 145 Ca 0.86 -0.83 0.16 0.00 -1.25 0.00 0.00 55.69 54.64 1sgx s MET 145 Cb -0.99 -2.14 0.68 0.00 1.25 0.00 0.00 34.83 33.63 1sgx s MET 145 CO 0.49 -0.80 1.75 0.78 1.05 0.00 0.00 175.02 178.29 1sgx h GLY 146 N 8.12 0.00 -4.55 2.11 0.00 -1.93 -3.44 103.07 103.38 1sgx h GLY 146 Ca -0.15 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.63 1sgx h GLY 146 CO 0.41 0.00 0.43 0.21 0.00 0.00 0.00 176.54 177.59 1sgx s ASN 147 N -6.59 7.31 0.09 0.19 3.84 -1.26 -4.96 114.94 113.55 1sgx s ASN 147 Ca -0.01 1.59 -0.32 0.00 0.21 0.00 0.00 52.86 54.34 1sgx s ASN 147 Cb 0.12 -2.56 -0.15 0.00 -0.55 0.00 0.00 41.25 38.12 1sgx s ASN 147 CO 0.70 -0.32 1.61 -0.74 -2.79 0.00 0.00 177.10 175.56 1sgx h HIS 148 N 6.91 -0.95 -0.38 0.43 -0.00 -2.00 -1.14 115.15 118.01 1sgx h HIS 148 Ca -0.37 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.05 1sgx h HIS 148 Cb 1.19 0.36 -0.05 0.00 -0.00 0.00 0.00 27.41 28.92 1sgx h HIS 148 CO 0.69 -0.51 0.08 0.00 -0.00 0.00 0.00 177.93 178.19 1sgx h ALA 149 N -0.36 0.41 -0.35 5.26 0.00 -1.99 -1.18 119.26 121.06 1sgx h ALA 149 Ca -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sgx h ALA 149 Cb 0.68 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1sgx h ALA 149 CO -0.02 -0.32 0.17 0.93 0.00 0.00 0.00 179.25 180.01 1sgx h GLU 150 N 0.21 0.50 -0.75 0.00 5.08 -1.97 -2.27 114.58 115.39 1sgx h GLU 150 Ca 0.18 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1sgx h GLU 150 Cb 0.20 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1sgx h GLU 150 CO -0.23 0.45 0.48 -0.09 -1.00 0.00 0.00 179.01 178.63 1sgx h ARG 151 N 0.42 0.94 -0.60 2.33 2.43 -0.87 0.14 114.38 119.16 1sgx h ARG 151 Ca 0.12 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1sgx h ARG 151 Cb 0.12 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1sgx h ARG 151 CO -0.01 0.62 0.32 0.93 -1.51 0.00 0.00 179.97 180.31 1sgx h GLU 152 N 0.96 0.83 0.08 0.20 4.39 -1.02 -0.04 114.58 119.98 1sgx h GLU 152 Ca 0.29 -0.09 -0.22 0.00 0.34 0.00 0.00 59.36 59.67 1sgx h GLU 152 Cb -0.05 -0.17 0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1sgx h GLU 152 CO -0.09 0.62 -0.92 1.49 -1.16 0.00 0.00 179.01 178.95 1sgx h GLU 153 N 0.84 0.48 -0.01 2.33 4.57 -0.77 -0.57 114.58 121.46 1sgx h GLU 153 Ca 0.21 -0.63 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1sgx h GLU 153 Cb 0.04 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1sgx h GLU 153 CO -0.03 1.26 -0.17 0.66 -1.18 0.00 0.00 179.01 179.55 1sgx n TYR 154 N -4.02 0.00 0.03 0.92 4.01 0.40 -3.89 117.16 114.62 1sgx n TYR 154 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1sgx n TYR 154 Cb 0.84 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 1sgx n TYR 154 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1sgx n VAL 155 N -0.85 0.33 0.45 -0.72 0.31 -0.04 -1.59 118.33 116.22 1sgx n VAL 155 Ca 0.13 0.11 0.12 0.00 -0.01 0.00 0.00 64.34 64.69 1sgx n VAL 155 Cb 0.31 -1.17 0.22 0.00 -0.91 0.00 0.00 33.84 32.28 1sgx n VAL 155 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1sgx h GLN 156 N 0.00 0.00 -6.23 5.55 1.08 -1.41 -3.45 115.11 110.65 1sgx h GLN 156 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1sgx h GLN 156 Cb 0.38 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 1sgx h GLN 156 CO 0.00 0.00 0.62 -2.00 -0.95 0.00 0.00 178.83 176.50 1sgx s GLU 157 N -3.18 4.39 0.00 1.46 2.56 -0.29 -4.92 118.70 118.71 1sgx s GLU 157 Ca 0.07 1.42 0.17 0.00 0.00 0.00 0.00 54.97 56.63 1sgx s GLU 157 Cb 0.11 -3.56 0.36 0.00 2.00 0.00 0.00 34.13 33.04 1sgx s GLU 157 CO 0.68 -0.39 1.28 -0.40 -0.56 0.00 0.00 175.26 175.88 1sgx n ASP 158 N 5.26 3.12 -4.17 -1.70 5.75 -1.26 -4.89 116.55 118.66 1sgx n ASP 158 Ca 0.10 -1.91 -0.30 0.00 -0.01 0.00 0.00 54.79 52.67 1sgx n ASP 158 Cb 0.48 -0.24 -0.17 0.00 -1.03 0.00 0.00 41.12 40.16 1sgx n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sgx s ALA 159 N -1.17 1.95 0.32 2.12 0.00 -1.26 -1.67 121.76 122.06 1sgx s ALA 159 Ca 0.31 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1sgx s ALA 159 Cb 0.18 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1sgx s ALA 159 CO 0.24 0.21 0.13 0.41 0.00 0.00 0.00 175.76 176.75 1sgx n GLY 160 N 3.65 3.38 2.85 0.00 0.00 0.37 -4.95 105.19 110.50 1sgx n GLY 160 Ca -0.20 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 1sgx n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgx s ILE 161 N -2.81 0.17 -0.11 -0.61 -1.09 -1.26 -1.54 121.20 113.94 1sgx s ILE 161 Ca 0.18 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.63 1sgx s ILE 161 Cb 0.01 -0.22 0.02 0.00 -1.58 0.00 0.00 42.46 40.69 1sgx s ILE 161 CO 0.13 0.11 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.20 1sgx s ILE 162 N 0.65 1.27 0.21 2.92 1.01 -0.58 -4.45 121.20 122.23 1sgx s ILE 162 Ca -0.06 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1sgx s ILE 162 Cb -0.09 -1.21 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 1sgx s ILE 162 CO -0.01 0.40 0.90 -0.36 0.00 0.00 0.00 174.94 175.87 1sgx s PHE 163 N 1.37 3.96 0.00 3.97 0.40 -1.26 -1.46 117.98 124.96 1sgx s PHE 163 Ca 0.00 1.84 0.00 0.00 -0.60 0.00 0.00 56.93 58.17 1sgx s PHE 163 Cb -0.13 -2.93 0.00 0.00 0.51 0.00 0.00 43.02 40.47 1sgx s PHE 163 CO -0.06 0.46 0.00 1.33 0.70 0.00 0.00 175.22 177.65 1sgx n VAL 164 N 1.59 0.00 0.00 -0.44 0.24 -0.58 -4.79 118.33 114.35 1sgx n VAL 164 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1sgx n VAL 164 Cb 0.48 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1sgx n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sgx n GLY 165 N 0.00 0.94 3.66 7.63 0.00 -1.26 -0.21 105.19 115.95 1sgx n GLY 165 Ca 0.00 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1sgx n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgx s SER 166 N -4.00 -0.21 0.51 1.61 1.04 -1.04 -4.63 113.70 106.98 1sgx s SER 166 Ca 0.00 -0.66 0.32 0.00 0.48 0.00 0.00 55.95 56.09 1sgx s SER 166 Cb 0.00 0.64 1.74 0.00 0.10 0.00 0.00 66.02 68.50 1sgx s SER 166 CO 0.00 -1.19 1.97 0.71 0.98 0.00 0.00 173.24 175.71 1sgx h THR 167 N 2.14 0.00 0.00 2.02 1.35 -1.95 -0.28 112.91 116.19 1sgx h THR 167 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1sgx h THR 167 Cb 1.25 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1sgx h THR 167 CO 0.31 0.00 -1.01 0.59 -0.25 0.00 0.00 175.52 175.16 1sgx n ASN 168 N -2.67 0.67 -3.09 5.36 4.13 -1.26 -4.76 115.26 113.64 1sgx n ASN 168 Ca -0.02 0.08 0.01 0.00 1.68 0.00 0.00 54.58 56.32 1sgx n ASN 168 Cb 0.11 0.63 -0.01 0.00 -1.54 0.00 0.00 39.78 38.98 1sgx n ASN 168 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1sgx s ARG 169 N -3.28 0.69 -0.06 3.52 3.52 -0.14 -5.14 118.95 118.07 1sgx s ARG 169 Ca 0.02 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 1sgx s ARG 169 Cb 0.12 0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 1sgx s ARG 169 CO 0.79 -0.99 1.09 0.42 -0.81 0.00 0.00 175.30 175.80 1sgx s ILE 170 N 1.82 4.53 0.03 4.11 1.01 -1.09 -2.49 121.20 129.11 1sgx s ILE 170 Ca 0.16 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.63 1sgx s ILE 170 Cb -0.02 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1sgx s ILE 170 CO -0.09 0.03 0.01 0.61 0.00 0.00 0.00 174.94 175.50 1sgx n GLY 171 N 3.19 3.75 3.36 6.18 0.00 0.71 -4.96 105.19 117.42 1sgx n GLY 171 Ca 0.09 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 1sgx n GLY 171 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sgx s MET 172 N -2.11 1.08 0.01 1.61 0.23 -1.26 -1.53 119.30 117.32 1sgx s MET 172 Ca 0.01 -0.46 0.01 0.00 -1.03 0.00 0.00 55.69 54.22 1sgx s MET 172 Cb -0.00 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 33.78 1sgx s MET 172 CO 0.00 -0.42 -0.03 0.96 -2.03 0.00 0.00 175.02 173.50 1sgx s ILE 173 N -3.17 0.24 0.53 3.16 -4.36 -0.53 -4.92 121.20 112.14 1sgx s ILE 173 Ca -0.01 -0.33 -0.17 0.00 -0.26 0.00 0.00 60.65 59.88 1sgx s ILE 173 Cb 0.00 -0.24 -0.06 0.00 1.25 0.00 0.00 42.46 43.41 1sgx s ILE 173 CO -0.08 -0.06 1.03 -0.83 0.24 0.00 0.00 174.94 175.24 1sgx s GLY 174 N -0.42 2.23 -0.04 6.27 0.00 -1.26 -1.52 107.32 112.58 1sgx s GLY 174 Ca -0.02 0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 1sgx s GLY 174 CO -0.00 0.70 0.09 0.86 0.00 0.00 0.00 173.10 174.75 1sgx s TRP 175 N -2.35 -0.08 -0.56 1.90 -0.11 -0.59 -4.85 118.94 112.29 1sgx s TRP 175 Ca 0.63 0.29 -0.19 0.00 1.22 0.00 0.00 56.10 58.06 1sgx s TRP 175 Cb -0.14 -0.11 0.09 0.00 -1.50 0.00 0.00 33.47 31.81 1sgx s TRP 175 CO 0.29 -0.11 0.67 1.21 -4.62 0.00 0.00 176.95 174.40 1sgx s ASN 176 N 0.85 6.19 0.15 5.86 2.47 0.42 -0.47 114.94 130.41 1sgx s ASN 176 Ca -0.07 -1.28 -0.12 0.00 0.42 0.00 0.00 52.86 51.82 1sgx s ASN 176 Cb -0.09 -2.29 0.01 0.00 -1.45 0.00 0.00 41.25 37.43 1sgx s ASN 176 CO -0.03 -1.03 1.58 -0.26 -3.72 0.00 0.00 177.10 173.64 1sgx h PHE 177 N 9.11 1.02 -5.77 0.43 0.05 -1.65 0.28 116.94 120.41 1sgx h PHE 177 Ca -0.29 -0.20 -0.42 0.00 3.82 0.00 0.00 57.97 60.88 1sgx h PHE 177 Cb 1.09 -0.26 -0.10 0.00 2.00 0.00 0.00 35.95 38.69 1sgx h PHE 177 CO 0.80 0.97 -0.63 0.41 -0.18 0.00 0.00 178.31 179.68 1sgx n GLY 178 N -0.29 -0.48 0.12 -1.45 0.00 -1.02 -4.39 105.19 97.68 1sgx n GLY 178 Ca 0.01 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1sgx n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgx n GLN 179 N -3.96 0.13 0.00 1.61 0.00 -1.26 -1.87 117.38 112.02 1sgx n GLN 179 Ca 0.01 0.54 0.11 0.00 0.00 0.00 0.00 57.00 57.66 1sgx n GLN 179 Cb 0.53 -1.85 -0.03 0.00 0.00 0.00 0.00 30.24 28.89 1sgx n GLN 179 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1sgx n PHE 180 N -2.11 0.00 -1.85 2.61 3.72 -1.26 -4.21 117.46 114.36 1sgx n PHE 180 Ca -0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 1sgx n PHE 180 Cb 0.09 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.67 1sgx n PHE 180 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sgx s GLU 181 N -2.68 2.79 0.03 -1.08 0.41 -0.78 -0.75 118.70 116.63 1sgx s GLU 181 Ca 0.15 1.69 -0.37 0.00 -0.41 0.00 0.00 54.97 56.02 1sgx s GLU 181 Cb 0.17 -1.92 -0.17 0.00 -1.78 0.00 0.00 34.13 30.44 1sgx s GLU 181 CO 0.68 -1.32 1.41 -1.91 -0.49 0.00 0.00 175.26 173.64 1sgx n GLU 182 N -2.00 1.15 -0.08 1.61 4.07 -1.26 -1.77 120.64 122.37 1sgx n GLU 182 Ca 0.13 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1sgx n GLU 182 Cb 0.50 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 1sgx n GLU 182 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1sgx n ASP 183 N 3.01 0.00 -0.10 4.31 4.64 -1.26 -4.88 116.55 122.26 1sgx n ASP 183 Ca 0.20 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.51 1sgx n ASP 183 Cb 0.18 -0.48 -0.02 0.00 -1.04 0.00 0.00 41.12 39.76 1sgx n ASP 183 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1sgx h ILE 184 N 0.00 1.16 -0.24 5.18 1.08 -1.66 0.06 117.51 123.10 1sgx h ILE 184 Ca 0.00 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1sgx h ILE 184 Cb 0.00 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1sgx h ILE 184 CO 0.00 0.17 0.15 0.25 -0.69 0.00 0.00 178.15 178.03 1sgx h LEU 185 N 0.39 0.29 -0.45 1.44 5.85 -1.77 -0.74 115.31 120.31 1sgx h LEU 185 Ca 0.11 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1sgx h LEU 185 Cb 0.13 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1sgx h LEU 185 CO -0.01 0.24 0.06 -1.28 -0.34 0.00 0.00 178.44 177.11 1sgx h SER 186 N 0.30 -0.05 -0.44 1.25 0.87 -1.87 -0.48 113.55 113.13 1sgx h SER 186 Ca 0.09 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1sgx h SER 186 Cb 0.01 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1sgx h SER 186 CO -0.02 0.01 0.23 0.40 -0.53 0.00 0.00 176.83 176.92 1sgx h ILE 187 N 0.19 1.17 -0.61 2.23 2.04 -0.67 -1.35 117.51 120.50 1sgx h ILE 187 Ca 0.23 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1sgx h ILE 187 Cb 0.30 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1sgx h ILE 187 CO -0.32 0.18 0.27 0.00 0.00 0.00 0.00 178.15 178.28 1sgx h LEU 189 N 0.87 1.00 -2.10 0.00 3.38 -0.83 -2.91 115.31 114.72 1sgx h LEU 189 Ca 0.21 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1sgx h LEU 189 Cb 0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1sgx h LEU 189 CO -0.02 1.15 -0.08 0.77 0.09 0.00 0.00 178.44 180.35 1sgx h SER 190 N 0.86 0.00 -0.93 -0.43 4.64 -0.55 -2.44 113.55 114.70 1sgx h SER 190 Ca 0.12 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.51 1sgx h SER 190 Cb 0.75 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.77 1sgx h SER 190 CO 0.06 0.08 0.61 0.40 -0.87 0.00 0.00 176.83 177.10 1sgx h ILE 191 N 0.00 1.07 0.00 0.95 2.04 -1.23 -0.83 117.51 119.51 1sgx h ILE 191 Ca -0.00 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1sgx h ILE 191 Cb 0.19 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1sgx h ILE 191 CO 0.01 0.20 -0.11 -0.07 0.00 0.00 0.00 178.15 178.17 1sgx h LEU 192 N 1.07 0.00 -1.40 1.44 3.38 -1.58 -1.28 115.31 116.94 1sgx h LEU 192 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1sgx h LEU 192 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sgx h LEU 192 CO -0.15 0.11 0.00 0.47 0.09 0.00 0.00 178.44 178.96 1sgx n ASP 193 N -4.09 2.04 0.00 -0.43 8.00 -0.32 -3.75 116.55 118.00 1sgx n ASP 193 Ca -0.02 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1sgx n ASP 193 Cb 0.20 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1sgx n ASP 193 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sgx n ARG 194 N 0.47 -0.44 -1.53 -1.24 5.12 -0.50 -4.87 116.66 113.67 1sgx n ARG 194 Ca 0.12 -0.36 -0.30 0.00 -1.93 0.00 0.00 57.85 55.38 1sgx n ARG 194 Cb 0.35 -0.80 0.10 0.00 -1.16 0.00 0.00 32.46 30.95 1sgx n ARG 194 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1sgx s SER 195 N -0.04 4.18 0.35 0.55 1.04 -1.13 -4.89 113.70 113.76 1sgx s SER 195 Ca 0.00 1.22 0.06 0.00 0.48 0.00 0.00 55.95 57.71 1sgx s SER 195 Cb 0.00 -1.91 0.66 0.00 0.10 0.00 0.00 66.02 64.87 1sgx s SER 195 CO 0.00 -2.16 1.89 -0.07 0.98 0.00 0.00 173.24 173.88 1sgx h LEU 196 N -1.22 0.41 -0.17 2.42 3.38 -1.94 -2.12 115.31 116.07 1sgx h LEU 196 Ca -0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1sgx h LEU 196 Cb 1.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1sgx h LEU 196 CO 0.60 0.51 0.09 0.78 0.09 0.00 0.00 178.44 180.50 1sgx h ASN 197 N 0.42 0.22 -0.34 -0.43 4.21 -1.94 0.44 115.58 118.16 1sgx h ASN 197 Ca 0.09 -0.10 -0.03 0.00 1.21 0.00 0.00 56.30 57.46 1sgx h ASN 197 Cb 0.34 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1sgx h ASN 197 CO 0.01 0.26 0.09 0.15 -1.29 0.00 0.00 177.43 176.65 1sgx h PHE 198 N 0.16 0.57 -0.15 1.19 3.04 -1.75 -1.20 116.94 118.80 1sgx h PHE 198 Ca 0.06 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1sgx h PHE 198 Cb 0.10 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 1sgx h PHE 198 CO -0.03 0.57 -0.18 0.00 -2.02 0.00 0.00 178.31 176.65 1sgx h ARG 199 N 0.40 0.26 -0.18 1.11 3.08 -1.32 0.89 114.38 118.62 1sgx h ARG 199 Ca 0.11 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1sgx h ARG 199 Cb 0.28 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1sgx h ARG 199 CO -0.00 0.44 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.15 1sgx h ARG 200 N 0.24 0.39 -0.85 0.04 2.43 -0.57 -3.42 114.38 112.63 1sgx h ARG 200 Ca 0.04 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1sgx h ARG 200 Cb 0.46 -0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 29.82 1sgx h ARG 200 CO 0.03 0.69 -0.39 0.34 -1.51 0.00 0.00 179.97 179.13 1sgx s ASP 201 N -6.06 -1.30 0.25 -3.80 2.15 -0.48 -5.04 116.67 102.39 1sgx s ASP 201 Ca -0.14 -0.76 -0.03 0.00 0.43 0.00 0.00 52.55 52.05 1sgx s ASP 201 Cb 0.06 1.66 0.43 0.00 -0.30 0.00 0.00 42.92 44.77 1sgx s ASP 201 CO 0.75 -0.13 1.80 0.00 -0.17 0.00 0.00 175.17 177.42 1sgx h ALA 202 N 6.47 1.20 0.01 3.66 0.00 -1.02 -1.45 119.26 128.15 1sgx h ALA 202 Ca 0.03 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1sgx h ALA 202 Cb 1.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1sgx h ALA 202 CO 0.06 0.06 -0.29 0.00 0.00 0.00 0.00 179.25 179.07 1sgx h ALA 203 N 1.48 -0.42 -0.19 0.00 0.00 -1.93 -0.74 119.26 117.45 1sgx h ALA 203 Ca 0.41 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1sgx h ALA 203 Cb 0.43 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sgx h ALA 203 CO -0.27 -0.80 -0.44 1.15 0.00 0.00 0.00 179.25 178.89 1sgx h THR 204 N -0.44 1.31 -0.16 0.00 2.02 -1.90 -2.76 112.91 110.98 1sgx h THR 204 Ca 0.06 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 1sgx h THR 204 Cb 0.53 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1sgx h THR 204 CO -0.24 0.50 0.09 -0.78 0.37 0.00 0.00 175.52 175.46 1sgx h ASP 205 N 0.38 0.20 -0.52 4.18 3.58 -0.92 -1.32 116.42 122.00 1sgx h ASP 205 Ca 0.03 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 1sgx h ASP 205 Cb 0.92 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.90 1sgx h ASP 205 CO 0.08 0.22 0.15 0.58 -2.88 0.00 0.00 179.24 177.39 1sgx h VAL 206 N 0.16 1.23 -0.15 2.25 2.07 -1.13 -2.00 116.25 118.68 1sgx h VAL 206 Ca 0.06 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1sgx h VAL 206 Cb 0.07 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1sgx h VAL 206 CO -0.01 0.31 -0.16 0.00 0.02 0.00 0.00 177.57 177.73 1sgx h ALA 207 N 1.32 1.46 -0.02 1.67 0.00 -1.22 -2.51 119.26 119.97 1sgx h ALA 207 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sgx h ALA 207 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sgx h ALA 207 CO -0.00 0.38 0.00 0.43 0.00 0.00 0.00 179.25 180.06 1sgx n SER 208 N -4.25 0.34 -0.01 0.00 7.64 -0.52 -3.78 113.62 113.04 1sgx n SER 208 Ca -0.01 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1sgx n SER 208 Cb 0.29 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1sgx n SER 208 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sgx n ARG 209 N -0.65 0.95 0.00 1.43 1.74 -0.94 -2.55 116.66 116.64 1sgx n ARG 209 Ca 0.19 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.39 1sgx n ARG 209 Cb 0.14 -1.01 0.17 0.00 -1.02 0.00 0.00 32.46 30.75 1sgx n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1sgx n ASN 210 N -0.49 2.08 -4.23 0.55 6.94 -1.25 -1.53 115.26 117.33 1sgx n ASN 210 Ca 0.00 -1.55 -0.35 0.00 -0.02 0.00 0.00 54.58 52.66 1sgx n ASN 210 Cb 0.00 0.20 -0.14 0.00 -2.36 0.00 0.00 39.78 37.49 1sgx n ASN 210 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1sgx s ASP 211 N -2.27 4.54 0.49 0.53 2.15 -1.06 -4.85 116.67 116.21 1sgx s ASP 211 Ca 0.25 -0.88 0.14 0.00 0.43 0.00 0.00 52.55 52.49 1sgx s ASP 211 Cb 0.19 -1.71 1.17 0.00 -0.30 0.00 0.00 42.92 42.27 1sgx s ASP 211 CO 0.45 -0.15 2.12 1.55 -0.17 0.00 0.00 175.17 178.96 1sgx h PRO 212 N 8.06 0.10 -0.45 4.34 0.13 -1.88 -1.26 132.00 141.03 1sgx h PRO 212 Ca -0.31 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1sgx h PRO 212 Cb 1.11 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1sgx h PRO 212 CO 0.58 0.08 0.28 0.87 -0.23 0.00 0.00 178.00 179.57 1sgx h LYS 213 N 0.10 0.60 0.27 0.86 1.57 -1.94 0.25 116.57 118.29 1sgx h LYS 213 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1sgx h LYS 213 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1sgx h LYS 213 CO -0.00 0.44 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.26 1sgx h TYR 214 N 0.60 -0.34 -0.80 -1.35 3.20 -1.56 -1.73 116.97 114.99 1sgx h TYR 214 Ca 0.16 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1sgx h TYR 214 Cb -0.02 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1sgx h TYR 214 CO -0.03 -0.05 0.51 0.28 -1.64 0.00 0.00 178.16 177.23 1sgx h VAL 215 N -0.62 1.10 0.06 1.81 2.07 -1.20 -0.78 116.25 118.69 1sgx h VAL 215 Ca -0.04 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1sgx h VAL 215 Cb 0.44 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1sgx h VAL 215 CO 0.06 0.18 -0.05 1.23 0.02 0.00 0.00 177.57 179.01 1sgx h GLY 216 N 0.98 -0.11 1.00 2.17 0.00 -0.44 -0.49 103.07 106.17 1sgx h GLY 216 Ca 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1sgx h GLY 216 CO -0.12 -0.06 0.34 -0.09 0.00 0.00 0.00 176.54 176.61 1sgx h ARG 217 N -0.12 0.87 -0.18 4.80 2.43 -1.01 -1.19 114.38 119.98 1sgx h ARG 217 Ca 0.00 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1sgx h ARG 217 Cb 0.11 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1sgx h ARG 217 CO -0.01 0.66 0.05 0.28 -1.51 0.00 0.00 179.97 179.44 1sgx h VAL 218 N 0.84 0.94 -0.52 0.20 2.07 -0.97 -2.28 116.25 116.53 1sgx h VAL 218 Ca 0.22 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1sgx h VAL 218 Cb 0.05 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1sgx h VAL 218 CO -0.03 0.02 0.29 -0.07 0.02 0.00 0.00 177.57 177.80 1sgx h LEU 219 N 0.13 0.63 -2.26 2.57 3.38 -0.72 -0.07 115.31 118.96 1sgx h LEU 219 Ca 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sgx h LEU 219 Cb 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1sgx h LEU 219 CO -0.09 0.51 -0.03 0.77 0.09 0.00 0.00 178.44 179.68 1sgx h SER 220 N 0.72 0.00 0.00 -0.43 4.64 -0.65 -1.82 113.55 116.00 1sgx h SER 220 Ca 0.19 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 1sgx h SER 220 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1sgx h SER 220 CO -0.03 0.03 -0.63 0.00 -0.87 0.00 0.00 176.83 175.33 1sgx h ALA 221 N 1.97 0.09 0.00 5.18 0.00 -0.78 -3.37 119.26 122.35 1sgx h ALA 221 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1sgx h ALA 221 Cb 0.23 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sgx h ALA 221 CO 0.00 0.44 0.00 0.52 0.00 0.00 0.00 179.25 180.21 1sgx h MET 222 N -1.00 0.00 0.00 0.00 2.07 -0.90 -2.62 114.93 112.48 1sgx h MET 222 Ca -0.12 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.51 1sgx h MET 222 Cb 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.50 1sgx h MET 222 CO -0.07 0.00 0.00 0.82 1.07 0.00 0.00 176.91 178.73 1sgx h ILE 223 N 0.00 0.00 -3.31 -1.22 1.08 -1.55 -1.32 117.51 111.19 1sgx h ILE 223 Ca 0.00 -0.64 -0.66 0.00 -0.39 0.00 0.00 64.86 63.17 1sgx h ILE 223 Cb 0.20 1.59 -0.13 0.00 -3.07 0.00 0.00 36.82 35.41 1sgx h ILE 223 CO 0.00 0.00 -0.63 0.54 -0.69 0.00 0.00 178.15 177.37 1sgx s ASN 224 N -5.38 5.23 0.44 1.72 2.20 -0.99 -1.34 114.94 116.82 1sgx s ASN 224 Ca 0.06 0.01 0.30 0.00 -0.94 0.00 0.00 52.86 52.29 1sgx s ASN 224 Cb 0.08 -1.39 1.17 0.00 -2.00 0.00 0.00 41.25 39.12 1sgx s ASN 224 CO 0.58 0.27 1.87 0.77 -2.94 0.00 0.00 177.10 177.65 1sgx h SER 225 N 4.24 0.00 -3.01 3.54 4.64 -0.38 -3.27 113.55 119.31 1sgx h SER 225 Ca -0.49 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.25 1sgx h SER 225 Cb 1.18 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.38 1sgx h SER 225 CO 0.58 0.00 0.31 0.59 -0.87 0.00 0.00 176.83 177.44 1sgx n ASN 226 N -2.78 1.94 0.00 4.97 4.13 -1.26 -2.78 115.26 119.47 1sgx n ASN 226 Ca 0.01 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1sgx n ASN 226 Cb 0.30 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.14 1sgx n ASN 226 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1sgx n ASP 227 N 0.81 0.00 -0.28 6.41 8.00 -1.26 -4.51 116.55 125.72 1sgx n ASP 227 Ca 0.07 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.59 1sgx n ASP 227 Cb 0.36 -0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1sgx n ASP 227 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sgx n ASP 228 N 0.08 0.52 -1.95 -2.24 5.68 -1.20 -4.99 116.55 112.44 1sgx n ASP 228 Ca 0.00 -1.95 -0.13 0.00 -0.50 0.00 0.00 54.79 52.21 1sgx n ASP 228 Cb 0.00 -0.18 0.03 0.00 -1.14 0.00 0.00 41.12 39.83 1sgx n ASP 228 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1sgx n ASN 229 N -0.27 -4.28 -3.32 -1.12 5.03 -1.12 -4.86 115.26 105.32 1sgx n ASN 229 Ca 0.03 -0.20 -0.25 0.00 0.87 0.00 0.00 54.58 55.03 1sgx n ASN 229 Cb 0.61 -3.09 0.21 0.00 -1.02 0.00 0.00 39.78 36.50 1sgx n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sgx n GLY 230 N -1.24 -3.01 0.29 7.41 0.00 -1.17 -4.87 105.19 102.59 1sgx n GLY 230 Ca -0.05 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1sgx n GLY 230 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sgx h VAL 231 N -2.72 0.00 -3.21 1.61 2.07 -1.30 -3.37 116.25 109.33 1sgx h VAL 231 Ca -0.33 -0.48 -0.67 0.00 0.82 0.00 0.00 66.70 66.03 1sgx h VAL 231 Cb 1.04 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.67 1sgx h VAL 231 CO 0.21 0.00 -0.60 -0.76 0.02 0.00 0.00 177.57 176.45 1sgx s LEU 232 N -9.09 3.71 -0.30 2.57 1.43 -0.45 -0.21 118.68 116.34 1sgx s LEU 232 Ca -0.10 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1sgx s LEU 232 Cb 0.01 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1sgx s LEU 232 CO 0.29 0.36 0.19 0.00 0.23 0.00 0.00 176.35 177.42 1sgx s ALA 233 N -0.77 3.45 0.51 4.21 0.00 -0.67 0.23 121.76 128.71 1sgx s ALA 233 Ca 0.12 -1.21 -0.19 0.00 0.00 0.00 0.00 51.96 50.68 1sgx s ALA 233 Cb -0.12 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.45 1sgx s ALA 233 CO 0.02 -0.70 1.05 0.20 0.00 0.00 0.00 175.76 176.33 1sgx s GLY 234 N 1.72 2.44 -0.30 0.00 0.00 -1.26 -0.91 107.32 109.00 1sgx s GLY 234 Ca 0.06 0.57 -0.05 0.00 0.00 0.00 0.00 44.72 45.31 1sgx s GLY 234 CO 0.09 0.89 0.63 0.21 0.00 0.00 0.00 173.10 174.93 1sgx s ASN 235 N -2.14 -1.27 -0.25 1.64 3.04 -1.00 -4.81 114.94 110.16 1sgx s ASN 235 Ca 0.67 1.16 0.09 0.00 0.04 0.00 0.00 52.86 54.82 1sgx s ASN 235 Cb -0.17 2.21 0.44 0.00 -1.54 0.00 0.00 41.25 42.20 1sgx s ASN 235 CO 0.24 -0.24 1.21 0.79 -3.04 0.00 0.00 177.10 176.05 1sgx n TRP 236 N 5.43 1.30 0.31 0.43 8.01 -1.26 -4.75 117.44 126.91 1sgx n TRP 236 Ca -0.06 -1.84 0.11 0.00 -1.31 0.00 0.00 57.50 54.41 1sgx n TRP 236 Cb 0.50 -0.29 0.00 0.00 -2.01 0.00 0.00 31.31 29.51 1sgx n TRP 236 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1sgx n SER 237 N -0.91 0.62 0.00 -0.99 3.41 -1.26 -4.82 113.62 109.67 1sgx n SER 237 Ca 0.31 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1sgx n SER 237 Cb 0.83 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 1sgx n SER 237 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgx n GLY 238 N 1.28 1.99 3.09 5.00 0.00 -1.26 -5.01 105.19 110.28 1sgx n GLY 238 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1sgx n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgx s THR 239 N -2.36 1.88 -0.25 2.61 2.01 -1.26 -4.87 115.64 113.40 1sgx s THR 239 Ca 0.00 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.26 1sgx s THR 239 Cb 0.00 -1.72 0.45 0.00 0.01 0.00 0.00 72.50 71.24 1sgx s THR 239 CO 0.00 0.51 1.28 -1.22 -0.69 0.00 0.00 174.62 174.50 1sgx n TYR 240 N 4.61 0.86 -1.72 4.92 4.01 -1.26 -5.01 117.16 123.57 1sgx n TYR 240 Ca -0.20 -1.71 -0.39 0.00 -0.16 0.00 0.00 57.90 55.45 1sgx n TYR 240 Cb 0.50 -0.34 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1sgx n TYR 240 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1sgx n THR 241 N -1.03 3.43 -0.41 -0.72 -2.24 -1.26 -1.81 114.28 110.23 1sgx n THR 241 Ca 0.28 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1sgx n THR 241 Cb 0.82 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 1sgx n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgx n GLY 242 N 0.81 0.79 0.00 3.38 0.00 -1.26 -4.97 105.19 103.94 1sgx n GLY 242 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1sgx n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgx n GLY 243 N -2.00 2.43 3.64 -0.02 0.00 -0.75 -4.85 105.19 103.63 1sgx n GLY 243 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1sgx n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgx s ARG 244 N 1.33 2.58 0.16 1.61 0.52 0.63 -4.87 118.95 120.92 1sgx s ARG 244 Ca 0.00 -0.74 -0.32 0.00 -0.52 0.00 0.00 55.73 54.16 1sgx s ARG 244 Cb 0.00 -2.54 -0.11 0.00 0.52 0.00 0.00 34.95 32.82 1sgx s ARG 244 CO 0.00 0.59 1.68 0.34 0.02 0.00 0.00 175.30 177.93 1sgx s ASP 245 N -1.70 6.48 0.56 0.23 3.68 -1.26 -1.96 116.67 122.69 1sgx s ASP 245 Ca 0.20 2.72 0.31 0.00 2.13 0.00 0.00 52.55 57.91 1sgx s ASP 245 Cb -0.11 -2.59 1.47 0.00 -1.45 0.00 0.00 42.92 40.24 1sgx s ASP 245 CO 0.11 -0.92 1.86 -0.65 0.13 0.00 0.00 175.17 175.70 1sgx h PRO 246 N 7.29 0.00 0.00 4.34 0.11 -1.92 -0.65 132.00 141.17 1sgx h PRO 246 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sgx h PRO 246 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sgx h PRO 246 CO 0.94 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 1sgx h ARG 247 N 0.00 0.00 0.00 1.05 2.47 -1.91 -3.29 114.38 112.70 1sgx h ARG 247 Ca 0.38 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 59.05 1sgx h ARG 247 Cb 1.65 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.97 1sgx h ARG 247 CO -0.00 0.00 -0.24 0.66 0.56 0.00 0.00 179.97 180.95 1sgx h SER 248 N 0.00 0.00 -4.11 7.04 4.64 -1.45 -3.46 113.55 116.21 1sgx h SER 248 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1sgx h SER 248 Cb 0.68 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.92 1sgx h SER 248 CO 0.00 0.24 0.51 0.26 -0.87 0.00 0.00 176.83 176.97 1sgx s TRP 249 N -3.20 2.15 0.00 4.77 0.52 -1.24 -4.81 118.94 117.12 1sgx s TRP 249 Ca 0.04 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.65 1sgx s TRP 249 Cb 0.07 -3.65 0.00 0.00 -1.15 0.00 0.00 33.47 28.74 1sgx s TRP 249 CO 0.69 -2.77 0.29 0.09 0.02 0.00 0.00 176.95 175.27 1sgx n ASN 250 N -1.84 0.58 -3.57 2.95 3.02 -1.26 -5.06 115.26 110.09 1sgx n ASN 250 Ca 0.15 -0.83 0.02 0.00 -0.03 0.00 0.00 54.58 53.89 1sgx n ASN 250 Cb 0.48 0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.90 1sgx n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sgx n GLY 251 N 0.23 0.32 0.06 7.41 0.00 -1.26 -0.44 105.19 111.51 1sgx n GLY 251 Ca 0.00 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.08 1sgx n GLY 251 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgx n SER 252 N -1.07 0.67 0.26 1.61 7.64 0.09 -4.46 113.62 118.35 1sgx n SER 252 Ca 0.03 0.02 -0.16 0.00 1.01 0.00 0.00 58.87 59.77 1sgx n SER 252 Cb 0.55 0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 64.07 1sgx n SER 252 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sgx h VAL 253 N 0.00 0.54 -0.28 0.44 2.07 -1.77 -1.30 116.25 115.95 1sgx h VAL 253 Ca 0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1sgx h VAL 253 Cb 0.76 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1sgx h VAL 253 CO 0.00 0.03 -0.00 -0.33 0.02 0.00 0.00 177.57 177.29 1sgx h GLU 254 N -0.71 0.42 0.10 1.57 4.39 -1.95 -1.41 114.58 116.99 1sgx h GLU 254 Ca -0.06 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1sgx h GLU 254 Cb 0.52 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1sgx h GLU 254 CO 0.10 0.45 -0.05 0.82 -1.16 0.00 0.00 179.01 179.18 1sgx h ILE 255 N 0.41 1.10 -0.60 3.13 2.04 -1.76 0.03 117.51 121.86 1sgx h ILE 255 Ca 0.09 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1sgx h ILE 255 Cb 0.27 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1sgx h ILE 255 CO 0.01 0.18 0.18 -0.07 0.00 0.00 0.00 178.15 178.45 1sgx h LEU 256 N -0.48 0.89 -0.84 1.44 3.38 -1.11 -1.08 115.31 117.50 1sgx h LEU 256 Ca -0.01 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1sgx h LEU 256 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sgx h LEU 256 CO 0.02 0.86 -0.28 0.11 0.09 0.00 0.00 178.44 179.25 1sgx h LYS 257 N 0.86 0.54 -0.22 1.13 1.57 -1.27 -2.28 116.57 116.90 1sgx h LYS 257 Ca 0.19 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1sgx h LYS 257 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1sgx h LYS 257 CO -0.00 0.77 -0.46 -0.91 -0.57 0.00 0.00 179.45 178.28 1sgx h ASN 258 N 0.47 0.62 0.32 0.86 4.21 -0.75 -0.91 115.58 120.40 1sgx h ASN 258 Ca 0.06 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.27 1sgx h ASN 258 Cb 0.73 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 1sgx h ASN 258 CO 0.06 0.98 -0.20 -0.25 -1.29 0.00 0.00 177.43 176.73 1sgx h TRP 259 N 0.46 -0.53 0.08 1.19 7.01 -0.93 -1.39 115.95 121.85 1sgx h TRP 259 Ca 0.03 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 1sgx h TRP 259 Cb 0.97 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 1sgx h TRP 259 CO 0.04 -0.31 -0.04 -0.22 -2.79 0.00 0.00 178.44 175.11 1sgx h LYS 260 N -0.51 -0.11 -0.01 2.65 3.64 -1.35 -0.77 116.57 120.12 1sgx h LYS 260 Ca -0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sgx h LYS 260 Cb 0.42 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1sgx h LYS 260 CO 0.03 -0.07 0.03 -0.22 -2.27 0.00 0.00 179.45 176.95 1sgx h LYS 261 N -0.12 0.00 -0.63 1.90 3.64 -1.05 -2.10 116.57 118.20 1sgx h LYS 261 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1sgx h LYS 261 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1sgx h LYS 261 CO 0.02 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.07 1sgx n SER 262 N -3.35 5.07 -1.45 4.20 3.41 -0.53 -4.91 113.62 116.06 1sgx n SER 262 Ca -0.03 -2.63 -0.10 0.00 -0.26 0.00 0.00 58.87 55.85 1sgx n SER 262 Cb 0.11 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.45 1sgx n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgx n GLY 263 N 0.92 0.10 2.40 5.00 0.00 -0.79 -3.39 105.19 109.42 1sgx n GLY 263 Ca 0.26 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1sgx n GLY 263 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sgx n LEU 264 N -1.89 -1.97 -4.88 0.99 4.77 -0.32 -5.03 117.00 108.69 1sgx n LEU 264 Ca -0.06 -0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.50 1sgx n LEU 264 Cb 0.56 -2.01 -0.04 0.00 -2.33 0.00 0.00 43.42 39.60 1sgx n LEU 264 CO 0.20 0.03 0.39 -0.44 -1.33 0.00 0.00 177.39 176.24 1sgx s SER 265 N -2.65 6.55 0.32 -1.43 0.01 -1.22 -4.79 113.70 110.48 1sgx s SER 265 Ca 0.11 1.08 -0.29 0.00 1.31 0.00 0.00 55.95 58.16 1sgx s SER 265 Cb -0.05 -2.30 -0.12 0.00 0.21 0.00 0.00 66.02 63.76 1sgx s SER 265 CO 0.13 -0.33 1.36 -2.65 0.41 0.00 0.00 173.24 172.17 1sgx n PRO 266 N -1.07 2.22 -3.15 12.44 -0.02 -1.26 -4.70 135.00 139.45 1sgx n PRO 266 Ca 0.02 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1sgx n PRO 266 Cb 0.54 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 1sgx n PRO 266 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sgx s VAL 267 N -0.78 4.97 -0.22 -1.45 1.01 0.71 -4.85 120.40 119.78 1sgx s VAL 267 Ca 0.59 0.81 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 1sgx s VAL 267 Cb -0.57 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1sgx s VAL 267 CO 0.59 -0.11 0.15 -0.13 0.00 0.00 0.00 175.10 175.60 1sgx s ARG 268 N 2.53 4.11 0.25 2.72 0.52 -1.26 -1.68 118.95 126.14 1sgx s ARG 268 Ca 0.24 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1sgx s ARG 268 Cb -0.15 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1sgx s ARG 268 CO 0.11 0.16 0.10 0.71 0.02 0.00 0.00 175.30 176.40 1sgx s TYR 269 N 0.78 1.47 0.11 -0.53 2.02 -0.83 -0.26 117.35 120.11 1sgx s TYR 269 Ca 0.08 -1.20 0.03 0.00 -0.37 0.00 0.00 57.07 55.60 1sgx s TYR 269 Cb -0.13 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1sgx s TYR 269 CO 0.02 -0.37 -0.08 0.20 -1.57 0.00 0.00 175.55 173.74 1sgx s GLY 270 N -3.29 0.86 0.42 0.71 0.00 -0.09 -4.16 107.32 101.77 1sgx s GLY 270 Ca 0.38 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1sgx s GLY 270 CO 0.13 -1.45 0.08 1.20 0.00 0.00 0.00 173.10 173.06 1sgx s GLN 271 N -3.62 1.95 0.29 2.90 -0.21 -1.26 -2.38 119.66 117.32 1sgx s GLN 271 Ca 0.12 -2.18 0.02 0.00 0.02 0.00 0.00 55.36 53.34 1sgx s GLN 271 Cb 0.03 -0.94 0.71 0.00 1.00 0.00 0.00 33.01 33.81 1sgx s GLN 271 CO -0.02 -0.37 1.65 0.00 -2.12 0.00 0.00 175.29 174.42 1sgx h TRP 273 N 0.22 0.00 -0.02 0.00 0.09 -1.98 -1.01 115.95 113.26 1sgx h TRP 273 Ca 0.55 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 59.36 1sgx h TRP 273 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 29.16 30.35 1sgx h TRP 273 CO -0.26 0.15 -0.65 0.28 0.09 0.00 0.00 178.44 178.05 1sgx h VAL 274 N 0.00 1.40 -0.55 0.12 2.07 -1.25 0.14 116.25 118.17 1sgx h VAL 274 Ca -0.00 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.44 1sgx h VAL 274 Cb 0.59 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1sgx h VAL 274 CO 0.02 0.61 0.28 -0.26 0.02 0.00 0.00 177.57 178.24 1sgx h PHE 275 N 0.00 0.78 -0.32 1.57 0.04 -1.20 -1.89 116.94 115.92 1sgx h PHE 275 Ca -0.08 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 1sgx h PHE 275 Cb 1.34 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 1sgx h PHE 275 CO 0.14 0.59 -0.07 0.00 -0.60 0.00 0.00 178.31 178.37 1sgx h ALA 276 N 1.11 0.44 -0.93 2.45 0.00 -1.16 0.47 119.26 121.64 1sgx h ALA 276 Ca 0.19 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sgx h ALA 276 Cb 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1sgx h ALA 276 CO -0.03 0.26 0.57 0.78 0.00 0.00 0.00 179.25 180.84 1sgx h GLY 277 N 0.38 1.35 1.34 0.00 0.00 -0.63 -0.29 103.07 105.23 1sgx h GLY 277 Ca 0.08 -0.56 -0.17 0.00 0.00 0.00 0.00 47.33 46.68 1sgx h GLY 277 CO 0.03 0.54 -0.55 -0.84 0.00 0.00 0.00 176.54 175.73 1sgx h THR 278 N 1.29 1.30 -0.48 4.70 2.02 -1.20 -2.57 112.91 117.96 1sgx h THR 278 Ca 0.34 -1.77 -0.08 0.00 0.77 0.00 0.00 66.41 65.66 1sgx h THR 278 Cb -0.06 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1sgx h THR 278 CO -0.06 0.56 -0.04 0.25 0.37 0.00 0.00 175.52 176.60 1sgx h LEU 279 N 0.53 0.81 -0.81 2.58 5.85 -0.56 -2.53 115.31 121.18 1sgx h LEU 279 Ca 0.01 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1sgx h LEU 279 Cb 1.12 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1sgx h LEU 279 CO 0.11 0.90 0.44 -1.13 -0.34 0.00 0.00 178.44 178.42 1sgx h ASN 280 N 0.77 1.02 -0.18 1.25 -0.73 -0.92 -0.49 115.58 116.30 1sgx h ASN 280 Ca 0.14 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1sgx h ASN 280 Cb 0.52 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.84 1sgx h ASN 280 CO 0.03 0.83 0.10 0.74 -0.37 0.00 0.00 177.43 178.76 1sgx h THR 281 N 1.13 1.10 -0.20 -3.57 2.02 -1.13 -1.08 112.91 111.18 1sgx h THR 281 Ca 0.29 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1sgx h THR 281 Cb 0.04 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1sgx h THR 281 CO -0.05 0.09 0.09 0.00 0.37 0.00 0.00 175.52 176.03 1sgx h ALA 282 N 1.00 0.23 -0.16 6.16 0.00 -1.09 -0.83 119.26 124.57 1sgx h ALA 282 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sgx h ALA 282 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1sgx h ALA 282 CO -0.01 -0.32 0.08 -0.07 0.00 0.00 0.00 179.25 178.93 1sgx h LEU 283 N 0.21 0.21 -0.80 0.00 3.38 -0.95 -2.27 115.31 115.08 1sgx h LEU 283 Ca 0.08 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1sgx h LEU 283 Cb 0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sgx h LEU 283 CO -0.06 0.26 0.02 0.03 0.09 0.00 0.00 178.44 178.78 1sgx h ARG 284 N 0.14 0.92 -0.77 1.13 3.08 -1.10 0.22 114.38 118.01 1sgx h ARG 284 Ca 0.06 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1sgx h ARG 284 Cb 0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1sgx h ARG 284 CO -0.01 0.90 0.48 0.66 -1.07 0.00 0.00 179.97 180.94 1sgx h SER 285 N 0.86 0.90 1.16 7.04 4.64 -1.06 -1.96 113.55 125.13 1sgx h SER 285 Ca 0.16 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1sgx h SER 285 Cb 0.48 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1sgx h SER 285 CO 0.02 0.68 0.00 0.18 -0.87 0.00 0.00 176.83 176.84 1sgx n LEU 286 N -4.52 0.70 0.00 5.97 4.32 -0.86 -4.91 117.00 117.70 1sgx n LEU 286 Ca 0.07 0.60 0.00 0.00 -0.02 0.00 0.00 56.01 56.66 1sgx n LEU 286 Cb 0.04 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1sgx n LEU 286 CO 0.37 -0.31 0.00 0.61 -1.22 0.00 0.00 177.39 176.84 1sgx n GLY 287 N 0.83 1.06 3.49 -0.72 0.00 -0.73 -1.70 105.19 107.42 1sgx n GLY 287 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1sgx n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgx s ILE 288 N -2.00 5.09 0.17 -0.61 1.01 -0.01 -4.30 121.20 120.55 1sgx s ILE 288 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 60.65 60.05 1sgx s ILE 288 Cb 0.00 -4.02 -0.15 0.00 0.01 0.00 0.00 42.46 38.30 1sgx s ILE 288 CO 0.00 -0.38 1.35 -2.65 0.00 0.00 0.00 174.94 173.26 1sgx n PRO 289 N 5.60 1.61 -3.58 2.79 -0.02 -1.26 -3.82 135.00 136.32 1sgx n PRO 289 Ca -0.07 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1sgx n PRO 289 Cb 0.48 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1sgx n PRO 289 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sgx s SER 290 N 0.36 -0.38 0.24 2.55 1.04 -0.62 -0.31 113.70 116.58 1sgx s SER 290 Ca 0.75 -0.00 -0.04 0.00 0.48 0.00 0.00 55.95 57.14 1sgx s SER 290 Cb -0.78 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1sgx s SER 290 CO 0.48 -0.78 0.28 0.00 0.98 0.00 0.00 173.24 174.20 1sgx s ARG 291 N -2.97 1.43 -0.17 4.02 1.70 -0.80 -4.62 118.95 117.53 1sgx s ARG 291 Ca -0.02 -1.57 -0.06 0.00 -0.47 0.00 0.00 55.73 53.61 1sgx s ARG 291 Cb -0.00 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1sgx s ARG 291 CO -0.06 -0.53 0.03 0.08 -1.08 0.00 0.00 175.30 173.74 1sgx s VAL 292 N -3.94 4.49 -0.10 4.99 1.01 -1.26 -1.86 120.40 123.74 1sgx s VAL 292 Ca 0.34 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1sgx s VAL 292 Cb 0.04 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1sgx s VAL 292 CO 0.13 0.48 -0.12 -0.63 0.00 0.00 0.00 175.10 174.97 1sgx s ILE 293 N 0.28 3.22 -0.18 2.22 -1.09 0.38 -4.41 121.20 121.62 1sgx s ILE 293 Ca 0.01 -0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1sgx s ILE 293 Cb -0.13 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.43 1sgx s ILE 293 CO 0.01 0.55 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.24 1sgx s THR 294 N -0.16 2.57 -0.21 2.92 2.01 0.60 -0.91 115.64 122.46 1sgx s THR 294 Ca 0.00 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1sgx s THR 294 Cb -0.13 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1sgx s THR 294 CO 0.03 0.50 -0.01 0.21 -0.69 0.00 0.00 174.62 174.67 1sgx s ASN 295 N 1.20 4.71 0.10 3.53 2.47 0.20 -0.32 114.94 126.83 1sgx s ASN 295 Ca 0.02 -0.25 -0.16 0.00 0.42 0.00 0.00 52.86 52.89 1sgx s ASN 295 Cb -0.14 -1.81 -0.07 0.00 -1.45 0.00 0.00 41.25 37.78 1sgx s ASN 295 CO -0.07 0.03 0.53 -0.36 -3.72 0.00 0.00 177.10 173.52 1sgx s PHE 296 N 1.18 3.69 -1.02 0.43 0.40 -0.84 -0.09 117.98 121.73 1sgx s PHE 296 Ca 0.03 1.11 -0.03 0.00 -0.60 0.00 0.00 56.93 57.44 1sgx s PHE 296 Cb -0.14 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.95 1sgx s PHE 296 CO 0.01 0.52 0.88 0.09 0.70 0.00 0.00 175.22 177.42 1sgx n ASN 297 N 1.27 -4.64 -4.64 1.36 4.13 -0.59 -1.19 115.26 110.98 1sgx n ASN 297 Ca -0.08 -0.62 -0.41 0.00 1.68 0.00 0.00 54.58 55.14 1sgx n ASN 297 Cb 0.52 -4.83 -0.05 0.00 -1.54 0.00 0.00 39.78 33.88 1sgx n ASN 297 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1sgx s SER 298 N -3.71 6.73 0.08 6.41 0.15 -0.37 -1.43 113.70 121.56 1sgx s SER 298 Ca 0.26 0.90 -0.12 0.00 0.70 0.00 0.00 55.95 57.69 1sgx s SER 298 Cb -0.03 -2.39 -0.06 0.00 -1.71 0.00 0.00 66.02 61.82 1sgx s SER 298 CO 0.68 -0.43 0.44 0.00 1.20 0.00 0.00 173.24 175.12 1sgx s ALA 299 N 2.60 3.69 -0.56 5.45 0.00 -0.93 0.29 121.76 132.30 1sgx s ALA 299 Ca 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1sgx s ALA 299 Cb -0.15 -2.35 0.14 0.00 0.00 0.00 0.00 23.12 20.76 1sgx s ALA 299 CO 0.08 0.53 0.34 -1.58 0.00 0.00 0.00 175.76 175.13 1sgx s HIS 300 N -1.36 3.36 -0.14 0.00 5.04 0.90 -3.64 115.29 119.45 1sgx s HIS 300 Ca 0.33 -2.88 -0.29 0.00 -1.54 0.00 0.00 55.06 50.67 1sgx s HIS 300 Cb -0.15 -3.05 -0.01 0.00 0.04 0.00 0.00 32.58 29.42 1sgx s HIS 300 CO 0.18 -0.82 1.05 0.34 -2.34 0.00 0.00 174.74 173.14 1sgx s ASP 301 N 0.42 7.17 -0.01 9.88 3.68 -1.26 -4.87 116.67 131.68 1sgx s ASP 301 Ca 0.16 1.53 0.20 0.00 2.13 0.00 0.00 52.55 56.57 1sgx s ASP 301 Cb -0.22 -2.55 -0.24 0.00 -1.45 0.00 0.00 42.92 38.46 1sgx s ASP 301 CO -0.02 -0.54 0.78 0.35 0.13 0.00 0.00 175.17 175.87 1sgx n THR 302 N 4.81 0.00 -1.81 1.71 -2.24 -1.26 -4.54 114.28 110.94 1sgx n THR 302 Ca 0.10 -0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1sgx n THR 302 Cb 0.48 0.81 0.16 0.00 -2.10 0.00 0.00 70.33 69.68 1sgx n THR 302 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sgx n ASP 303 N -1.62 1.63 -4.21 3.42 3.85 -1.26 -5.02 116.55 113.34 1sgx n ASP 303 Ca 0.02 -3.48 -0.33 0.00 -0.71 0.00 0.00 54.79 50.30 1sgx n ASP 303 Cb 0.36 -0.48 -0.06 0.00 -1.35 0.00 0.00 41.12 39.59 1sgx n ASP 303 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1sgx n ARG 304 N -0.76 -1.21 0.00 0.11 1.74 -1.26 -4.85 116.66 110.44 1sgx n ARG 304 Ca 0.17 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1sgx n ARG 304 Cb 0.80 -3.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.67 1sgx n ARG 304 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1sgx n ASN 305 N -2.78 1.49 -2.77 0.55 6.94 -1.26 -4.87 115.26 112.56 1sgx n ASN 305 Ca -0.29 -1.73 -0.20 0.00 -0.02 0.00 0.00 54.58 52.35 1sgx n ASN 305 Cb 0.67 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.10 1sgx n ASN 305 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1sgx n LEU 306 N -0.36 -1.98 -3.76 -4.53 4.77 -1.26 -4.97 117.00 104.90 1sgx n LEU 306 Ca 0.00 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 1sgx n LEU 306 Cb 0.30 -2.67 -0.10 0.00 -2.33 0.00 0.00 43.42 38.62 1sgx n LEU 306 CO 0.00 0.02 -0.00 -0.55 -1.33 0.00 0.00 177.39 175.52 1sgx s SER 307 N -2.38 -0.28 0.10 -1.43 0.15 -1.26 -1.60 113.70 107.00 1sgx s SER 307 Ca 0.17 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.34 1sgx s SER 307 Cb -0.08 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1sgx s SER 307 CO 0.21 -0.23 -0.20 0.68 1.20 0.00 0.00 173.24 174.90 1sgx s VAL 308 N -0.36 1.61 -0.08 4.45 -7.23 -0.77 -4.83 120.40 113.19 1sgx s VAL 308 Ca -0.05 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1sgx s VAL 308 Cb -0.03 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1sgx s VAL 308 CO 0.02 -0.10 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.83 1sgx s ASP 309 N -1.91 4.65 -0.08 4.85 1.01 -1.26 -0.97 116.67 122.96 1sgx s ASP 309 Ca 0.05 -0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.30 1sgx s ASP 309 Cb -0.10 -1.26 0.01 0.00 1.01 0.00 0.00 42.92 42.58 1sgx s ASP 309 CO 0.04 0.33 -0.15 0.54 0.21 0.00 0.00 175.17 176.15 1sgx s VAL 310 N -0.64 1.38 0.06 -1.27 0.11 -0.15 -4.60 120.40 115.29 1sgx s VAL 310 Ca 0.10 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1sgx s VAL 310 Cb -0.12 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1sgx s VAL 310 CO 0.02 0.41 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.78 1sgx s TYR 311 N 0.73 2.73 0.04 1.54 1.51 -1.24 -0.09 117.35 122.57 1sgx s TYR 311 Ca -0.13 -0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1sgx s TYR 311 Cb -0.16 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1sgx s TYR 311 CO 0.03 0.37 -0.00 0.71 -1.11 0.00 0.00 175.55 175.55 1sgx s TYR 312 N -1.09 0.35 0.45 2.71 1.51 -0.53 -1.12 117.35 119.63 1sgx s TYR 312 Ca 0.19 -0.73 0.08 0.00 -1.01 0.00 0.00 57.07 55.59 1sgx s TYR 312 Cb -0.11 -0.26 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 1sgx s TYR 312 CO 0.10 -0.30 0.55 0.16 -1.11 0.00 0.00 175.55 174.95 1sgx s ASP 313 N -2.17 5.38 0.63 2.29 1.47 -0.79 -0.26 116.67 123.23 1sgx s ASP 313 Ca -0.05 -0.60 0.36 0.00 1.18 0.00 0.00 52.55 53.45 1sgx s ASP 313 Cb -0.01 -0.44 2.05 0.00 -0.34 0.00 0.00 42.92 44.19 1sgx s ASP 313 CO -0.05 -0.84 2.25 -0.65 0.68 0.00 0.00 175.17 176.56 1sgx h PRO 314 N 0.66 0.00 -0.17 2.11 0.11 -1.92 -2.21 132.00 130.58 1sgx h PRO 314 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1sgx h PRO 314 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1sgx h PRO 314 CO 0.48 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.94 1sgx n MET 315 N -3.41 1.55 -0.81 1.05 2.81 -1.26 -4.78 117.12 112.27 1sgx n MET 315 Ca -0.02 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 1sgx n MET 315 Cb 0.14 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1sgx n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sgx n GLY 316 N 1.00 0.50 3.74 3.03 0.00 -0.83 -3.96 105.19 108.67 1sgx n GLY 316 Ca 0.13 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1sgx n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sgx s ASN 317 N -2.80 6.61 0.42 1.61 0.01 -1.26 -3.96 114.94 115.57 1sgx s ASN 317 Ca 0.00 0.72 -0.23 0.00 -0.71 0.00 0.00 52.86 52.64 1sgx s ASN 317 Cb 0.00 -2.24 -0.09 0.00 0.41 0.00 0.00 41.25 39.33 1sgx s ASN 317 CO 0.00 0.08 1.07 -2.84 -1.51 0.00 0.00 177.10 173.90 1sgx s PRO 318 N 0.33 4.04 -0.08 -0.60 0.02 -1.26 -1.88 135.00 135.56 1sgx s PRO 318 Ca 0.22 1.54 -0.03 0.00 0.02 0.00 0.00 61.00 62.75 1sgx s PRO 318 Cb -0.15 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 1sgx s PRO 318 CO 0.08 -0.25 0.05 -0.51 -0.33 0.00 0.00 177.00 176.04 1sgx s LEU 319 N -2.82 3.84 0.37 -5.54 1.02 -0.27 -4.90 118.68 110.38 1sgx s LEU 319 Ca 0.60 0.23 0.14 0.00 0.02 0.00 0.00 54.13 55.13 1sgx s LEU 319 Cb -0.22 -1.95 0.99 0.00 0.02 0.00 0.00 46.19 45.03 1sgx s LEU 319 CO 0.28 0.37 1.79 0.44 0.02 0.00 0.00 176.35 179.25 1sgx h ASP 320 N 4.96 0.54 -0.42 2.29 5.19 -1.95 -3.02 116.42 124.02 1sgx h ASP 320 Ca -0.52 0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 55.83 1sgx h ASP 320 Cb 1.20 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1sgx h ASP 320 CO 0.56 0.16 0.63 1.17 -3.12 0.00 0.00 179.24 178.65 1sgx n LYS 321 N -4.64 0.49 -0.80 3.56 4.81 -1.26 -1.20 118.16 119.11 1sgx n LYS 321 Ca 0.23 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 1sgx n LYS 321 Cb 0.74 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.68 1sgx n LYS 321 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sgx n GLY 322 N 6.47 0.53 0.07 3.14 0.00 -1.26 -3.68 105.19 110.47 1sgx n GLY 322 Ca 0.50 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1sgx n GLY 322 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sgx n SER 323 N 1.18 0.47 -0.02 1.61 3.41 -0.34 -3.06 113.62 116.87 1sgx n SER 323 Ca 0.00 0.57 0.02 0.00 -0.26 0.00 0.00 58.87 59.20 1sgx n SER 323 Cb 0.00 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1sgx n SER 323 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1sgx n ASP 324 N -1.98 1.91 0.19 4.04 3.85 -1.26 -4.27 116.55 119.04 1sgx n ASP 324 Ca 0.05 -2.12 0.14 0.00 -0.71 0.00 0.00 54.79 52.15 1sgx n ASP 324 Cb 0.31 -0.07 0.56 0.00 -1.35 0.00 0.00 41.12 40.56 1sgx n ASP 324 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1sgx h SER 325 N 0.00 0.00 -3.24 -1.12 0.02 -1.78 -3.38 113.55 104.06 1sgx h SER 325 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1sgx h SER 325 Cb 0.63 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.77 1sgx h SER 325 CO 0.00 0.00 -0.76 -0.69 -1.14 0.00 0.00 176.83 174.24 1sgx s VAL 326 N -3.44 0.91 0.36 2.27 1.01 -1.26 -0.07 120.40 120.19 1sgx s VAL 326 Ca 0.03 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 1sgx s VAL 326 Cb 0.09 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 1sgx s VAL 326 CO 0.47 -0.52 1.07 0.26 0.00 0.00 0.00 175.10 176.37 1sgx s TRP 327 N 1.62 3.35 0.49 5.22 0.52 0.15 -4.70 118.94 125.59 1sgx s TRP 327 Ca 0.06 1.66 0.20 0.00 0.02 0.00 0.00 56.10 58.04 1sgx s TRP 327 Cb -0.17 -3.18 1.24 0.00 -1.15 0.00 0.00 33.47 30.20 1sgx s TRP 327 CO -0.19 -0.63 1.98 -0.91 0.02 0.00 0.00 176.95 177.22 1sgx h ASN 328 N 2.89 0.16 -4.40 2.95 2.35 -1.44 -0.93 115.58 117.15 1sgx h ASN 328 Ca -0.48 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.35 1sgx h ASN 328 Cb 1.22 -0.03 -0.20 0.00 0.05 0.00 0.00 38.32 39.36 1sgx h ASN 328 CO 0.64 0.09 0.48 0.72 -1.65 0.00 0.00 177.43 177.71 1sgx s PHE 329 N -5.18 -0.40 -0.01 1.19 -0.12 -1.26 -1.53 117.98 110.67 1sgx s PHE 329 Ca -0.06 0.56 0.00 0.00 -0.05 0.00 0.00 56.93 57.38 1sgx s PHE 329 Cb 0.20 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 43.07 1sgx s PHE 329 CO 0.74 -0.44 0.01 -1.58 -0.05 0.00 0.00 175.22 173.90 1sgx s HIS 330 N -1.77 0.02 -0.05 3.49 2.46 0.87 -4.84 115.29 115.47 1sgx s HIS 330 Ca -0.01 0.06 0.00 0.00 0.47 0.00 0.00 55.06 55.58 1sgx s HIS 330 Cb -0.01 -0.11 -0.03 0.00 -0.13 0.00 0.00 32.58 32.30 1sgx s HIS 330 CO -0.01 -0.04 -0.03 0.08 -2.47 0.00 0.00 174.74 172.28 1sgx s VAL 331 N 0.48 4.02 0.00 0.89 1.01 -1.26 -0.62 120.40 124.92 1sgx s VAL 331 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1sgx s VAL 331 Cb -0.06 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1sgx s VAL 331 CO -0.01 0.52 0.00 -2.67 0.00 0.00 0.00 175.10 172.93 1sgx n TRP 332 N 1.89 -0.32 -4.39 5.22 2.14 -0.09 -4.67 117.44 117.23 1sgx n TRP 332 Ca -0.17 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.21 1sgx n TRP 332 Cb 0.53 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.93 1sgx n TRP 332 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1sgx s ASN 333 N -0.52 2.38 -0.05 -0.67 -0.87 -0.10 -0.47 114.94 114.65 1sgx s ASN 333 Ca 0.00 -1.20 0.02 0.00 -1.57 0.00 0.00 52.86 50.11 1sgx s ASN 333 Cb 0.00 -0.10 0.01 0.00 -0.02 0.00 0.00 41.25 41.15 1sgx s ASN 333 CO 0.00 -0.41 -0.09 -1.61 -2.57 0.00 0.00 177.10 172.42 1sgx s GLU 334 N -3.78 1.28 0.03 -0.60 2.02 -0.78 -0.72 118.70 116.16 1sgx s GLU 334 Ca 0.29 -0.30 0.05 0.00 0.02 0.00 0.00 54.97 55.02 1sgx s GLU 334 Cb 0.04 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 1sgx s GLU 334 CO 0.10 0.02 -0.08 0.20 0.02 0.00 0.00 175.26 175.53 1sgx s GLY 335 N 0.61 1.75 -0.29 -1.39 0.00 0.35 -1.90 107.32 106.45 1sgx s GLY 335 Ca -0.11 -1.09 -0.09 0.00 0.00 0.00 0.00 44.72 43.43 1sgx s GLY 335 CO 0.02 -0.99 0.14 0.86 0.00 0.00 0.00 173.10 173.14 1sgx s TRP 336 N -1.05 3.16 -0.18 1.90 -0.11 0.57 0.12 118.94 123.34 1sgx s TRP 336 Ca 0.18 -0.36 -0.32 0.00 1.22 0.00 0.00 56.10 56.83 1sgx s TRP 336 Cb -0.11 -2.34 0.14 0.00 -1.50 0.00 0.00 33.47 29.67 1sgx s TRP 336 CO 0.09 -0.36 1.15 -0.59 -4.62 0.00 0.00 176.95 172.62 1sgx s PHE 337 N 1.65 -0.20 0.75 5.86 -0.12 -0.72 -4.42 117.98 120.78 1sgx s PHE 337 Ca 0.06 0.25 -0.12 0.00 -0.05 0.00 0.00 56.93 57.07 1sgx s PHE 337 Cb -0.16 0.49 0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1sgx s PHE 337 CO 0.07 -0.24 1.10 0.14 -0.05 0.00 0.00 175.22 176.23 1sgx s VAL 338 N -1.78 3.25 -0.63 -2.49 -7.23 -0.70 -2.34 120.40 108.48 1sgx s VAL 338 Ca 0.05 0.45 0.05 0.00 -1.81 0.00 0.00 61.98 60.72 1sgx s VAL 338 Cb -0.01 -2.93 0.15 0.00 0.56 0.00 0.00 36.38 34.15 1sgx s VAL 338 CO -0.04 -0.49 0.40 -0.13 -0.31 0.00 0.00 175.10 174.54 1sgx s ARG 339 N -4.67 2.28 0.65 4.82 1.81 -1.26 -4.90 118.95 117.68 1sgx s ARG 339 Ca 0.63 -3.07 0.41 0.00 -1.72 0.00 0.00 55.73 51.98 1sgx s ARG 339 Cb -0.18 -3.39 2.25 0.00 -0.45 0.00 0.00 34.95 33.18 1sgx s ARG 339 CO 0.52 -1.22 2.31 0.66 -0.68 0.00 0.00 175.30 176.90 1sgx h SER 340 N 5.83 0.00 0.95 0.23 4.64 -1.95 -0.88 113.55 122.37 1sgx h SER 340 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1sgx h SER 340 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1sgx h SER 340 CO 0.71 0.00 -0.35 -0.90 -0.87 0.00 0.00 176.83 175.42 1sgx n ASP 341 N -3.22 0.56 -0.03 4.97 5.75 -1.26 -4.30 116.55 119.02 1sgx n ASP 341 Ca -0.03 0.21 -0.03 0.00 -0.01 0.00 0.00 54.79 54.93 1sgx n ASP 341 Cb 0.11 -0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.01 1sgx n ASP 341 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1sgx n LEU 342 N -1.91 0.23 0.00 -2.12 4.77 -0.42 -5.04 117.00 112.52 1sgx n LEU 342 Ca 0.05 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1sgx n LEU 342 Cb 0.40 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1sgx n LEU 342 CO 0.33 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1sgx n GLY 343 N 2.72 3.27 0.32 -0.72 0.00 -0.70 -4.85 105.19 105.24 1sgx n GLY 343 Ca -0.09 -1.87 0.18 0.00 0.00 0.00 0.00 46.02 44.25 1sgx n GLY 343 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sgx h PRO 344 N 0.00 0.00 -0.00 1.61 0.11 -1.95 -2.64 132.00 129.12 1sgx h PRO 344 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1sgx h PRO 344 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1sgx h PRO 344 CO 0.00 0.00 -0.31 -1.13 -0.21 0.00 0.00 178.00 176.35 1sgx n SER 345 N -3.52 0.67 -1.05 -2.05 3.41 -1.26 -4.05 113.62 105.77 1sgx n SER 345 Ca -0.02 -0.51 0.08 0.00 -0.26 0.00 0.00 58.87 58.16 1sgx n SER 345 Cb 0.12 0.10 0.26 0.00 -0.26 0.00 0.00 64.21 64.43 1sgx n SER 345 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1sgx n TYR 346 N -1.08 0.97 -1.94 7.33 4.02 -1.00 -4.87 117.16 120.59 1sgx n TYR 346 Ca 0.10 -0.65 -0.29 0.00 -0.01 0.00 0.00 57.90 57.04 1sgx n TYR 346 Cb 0.33 -0.19 0.12 0.00 -0.02 0.00 0.00 39.34 39.58 1sgx n TYR 346 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1sgx s GLY 347 N -1.25 1.67 0.00 2.72 0.00 -1.26 -4.58 107.32 104.62 1sgx s GLY 347 Ca 0.39 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1sgx s GLY 347 CO 0.17 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.59 1sgx n GLY 348 N -3.44 0.64 3.75 0.20 0.00 -0.99 -4.90 105.19 100.45 1sgx n GLY 348 Ca 0.11 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1sgx n GLY 348 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sgx s TRP 349 N 0.00 3.31 -0.08 1.61 0.52 -1.26 -1.75 118.94 121.29 1sgx s TRP 349 Ca 0.00 1.37 0.00 0.00 0.02 0.00 0.00 56.10 57.50 1sgx s TRP 349 Cb 0.00 -3.53 0.02 0.00 -1.15 0.00 0.00 33.47 28.82 1sgx s TRP 349 CO 0.00 -1.51 -0.07 -0.65 0.02 0.00 0.00 176.95 174.73 1sgx s GLN 350 N -0.60 1.33 0.19 4.98 -1.52 0.12 -2.38 119.66 121.77 1sgx s GLN 350 Ca 0.53 -0.22 -0.31 0.00 -1.95 0.00 0.00 55.36 53.40 1sgx s GLN 350 Cb -0.35 -1.31 -0.10 0.00 -0.22 0.00 0.00 33.01 31.02 1sgx s GLN 350 CO 0.40 -0.15 1.51 0.08 -0.25 0.00 0.00 175.29 176.88 1sgx s VAL 351 N 1.29 2.70 -0.04 1.09 1.01 0.74 -0.50 120.40 126.69 1sgx s VAL 351 Ca -0.04 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1sgx s VAL 351 Cb -0.14 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 32.93 1sgx s VAL 351 CO -0.03 0.06 0.02 -0.76 0.00 0.00 0.00 175.10 174.38 1sgx s LEU 352 N 0.63 0.72 -0.17 3.92 1.43 0.10 -1.89 118.68 123.43 1sgx s LEU 352 Ca 0.66 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1sgx s LEU 352 Cb -0.42 -0.26 0.04 0.00 0.03 0.00 0.00 46.19 45.58 1sgx s LEU 352 CO 0.35 -0.17 -0.04 -0.62 0.23 0.00 0.00 176.35 176.10 1sgx s ASP 353 N 1.61 2.82 0.00 2.29 -1.08 -0.87 -0.92 116.67 120.51 1sgx s ASP 353 Ca -0.02 -0.67 0.27 0.00 -0.52 0.00 0.00 52.55 51.61 1sgx s ASP 353 Cb -0.13 -0.87 0.81 0.00 -1.46 0.00 0.00 42.92 41.27 1sgx s ASP 353 CO -0.03 -0.20 1.62 0.00 0.52 0.00 0.00 175.17 177.08 1sgx n ALA 354 N 4.90 3.09 -2.25 3.66 0.00 -1.26 -3.60 120.51 125.05 1sgx n ALA 354 Ca -0.11 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1sgx n ALA 354 Cb 0.48 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1sgx n ALA 354 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1sgx s THR 355 N -2.90 3.55 -1.11 0.00 2.01 -1.26 -4.31 115.64 111.62 1sgx s THR 355 Ca 0.15 1.11 -0.21 0.00 0.31 0.00 0.00 61.69 63.04 1sgx s THR 355 Cb 0.18 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 69.04 1sgx s THR 355 CO 0.61 0.08 1.58 -2.16 -0.69 0.00 0.00 174.62 174.04 1sgx s PRO 356 N 1.12 3.66 -0.14 4.92 0.04 -1.26 -4.71 135.00 138.64 1sgx s PRO 356 Ca 0.63 -1.39 -0.12 0.00 0.04 0.00 0.00 61.00 60.16 1sgx s PRO 356 Cb -0.34 -5.41 -0.06 0.00 0.04 0.00 0.00 34.50 28.73 1sgx s PRO 356 CO 0.30 -2.31 -0.25 1.04 0.04 0.00 0.00 177.00 175.82 1sgx n GLN 357 N 8.71 0.39 -4.82 4.56 6.02 -1.26 -5.02 117.38 125.96 1sgx n GLN 357 Ca 0.39 0.16 -0.27 0.00 -0.01 0.00 0.00 57.00 57.27 1sgx n GLN 357 Cb 0.49 -1.18 -0.17 0.00 1.02 0.00 0.00 30.24 30.41 1sgx n GLN 357 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1sgx s GLU 358 N -2.53 2.13 0.36 -1.09 2.56 -1.26 -5.12 118.70 113.74 1sgx s GLU 358 Ca -0.23 -0.59 -0.27 0.00 0.00 0.00 0.00 54.97 53.87 1sgx s GLU 358 Cb 0.06 -1.71 -0.09 0.00 2.00 0.00 0.00 34.13 34.39 1sgx s GLU 358 CO 0.32 0.11 1.25 1.03 -0.56 0.00 0.00 175.26 177.41 1sgx s ARG 359 N 0.46 4.24 -0.16 4.30 0.52 -1.26 -4.44 118.95 122.60 1sgx s ARG 359 Ca -0.14 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 1sgx s ARG 359 Cb -0.16 -2.93 0.03 0.00 0.52 0.00 0.00 34.95 32.42 1sgx s ARG 359 CO 0.05 -0.23 -0.13 0.45 0.02 0.00 0.00 175.30 175.46 1sgx s SER 360 N -0.74 2.87 -1.50 0.23 0.15 0.20 -4.61 113.70 110.30 1sgx s SER 360 Ca 0.52 -0.60 -0.06 0.00 0.70 0.00 0.00 55.95 56.51 1sgx s SER 360 Cb -0.36 -1.17 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 1sgx s SER 360 CO 0.47 -0.09 0.71 0.00 1.20 0.00 0.00 173.24 175.54 1sgx n GLN 361 N 4.76 -5.32 -0.90 5.44 6.02 -1.26 -1.47 117.38 124.65 1sgx n GLN 361 Ca -0.16 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1sgx n GLN 361 Cb 0.49 -5.73 0.00 0.00 1.02 0.00 0.00 30.24 26.02 1sgx n GLN 361 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgx n GLY 362 N -1.58 0.76 3.33 1.08 0.00 -1.26 -5.01 105.19 102.51 1sgx n GLY 362 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1sgx n GLY 362 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sgx s VAL 363 N -3.26 2.02 -1.04 1.61 1.01 -0.54 -5.00 120.40 115.20 1sgx s VAL 363 Ca 0.00 -1.42 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 1sgx s VAL 363 Cb 0.00 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.67 1sgx s VAL 363 CO 0.00 0.25 1.55 -0.36 0.00 0.00 0.00 175.10 176.54 1sgx s PHE 364 N -0.87 2.45 0.03 5.22 0.40 -1.26 0.61 117.98 124.55 1sgx s PHE 364 Ca 0.11 -0.70 -0.09 0.00 -0.60 0.00 0.00 56.93 55.64 1sgx s PHE 364 Cb -0.10 -4.61 0.00 0.00 0.51 0.00 0.00 43.02 38.83 1sgx s PHE 364 CO 0.03 -1.89 0.18 1.14 0.70 0.00 0.00 175.22 175.39 1sgx s GLN 365 N 5.20 0.64 -0.20 0.44 -2.07 -1.26 -4.25 119.66 118.15 1sgx s GLN 365 Ca 0.50 -0.56 -0.08 0.00 -1.82 0.00 0.00 55.36 53.40 1sgx s GLN 365 Cb -0.00 0.27 0.09 0.00 -1.09 0.00 0.00 33.01 32.27 1sgx s GLN 365 CO -0.06 -0.18 0.44 0.00 -1.32 0.00 0.00 175.29 174.17 1sgx n GLY 367 N 5.18 0.28 3.75 0.00 0.00 -1.26 -2.06 105.19 111.08 1sgx n GLY 367 Ca -0.12 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 1sgx n GLY 367 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sgx s PRO 368 N -1.14 4.58 -0.15 1.61 0.04 -1.25 -4.48 135.00 134.22 1sgx s PRO 368 Ca 0.00 1.82 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1sgx s PRO 368 Cb 0.00 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.34 1sgx s PRO 368 CO 0.00 0.09 -0.16 0.00 0.04 0.00 0.00 177.00 176.97 1sgx s ALA 369 N -0.67 1.93 0.08 8.56 0.00 -0.79 -0.75 121.76 130.12 1sgx s ALA 369 Ca 0.48 -0.94 -0.32 0.00 0.00 0.00 0.00 51.96 51.19 1sgx s ALA 369 Cb -0.32 -1.04 -0.11 0.00 0.00 0.00 0.00 23.12 21.65 1sgx s ALA 369 CO 0.39 -0.32 1.85 0.45 0.00 0.00 0.00 175.76 178.13 1sgx n SER 370 N 4.63 3.90 -0.01 0.00 2.88 -1.26 -0.19 113.62 123.57 1sgx n SER 370 Ca -0.18 0.98 -0.02 0.00 -1.33 0.00 0.00 58.87 58.32 1sgx n SER 370 Cb 0.50 -1.51 0.24 0.00 -0.75 0.00 0.00 64.21 62.70 1sgx n SER 370 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1sgx h VAL 371 N 4.88 1.23 -0.34 2.46 2.07 -1.79 -1.38 116.25 123.37 1sgx h VAL 371 Ca -0.47 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1sgx h VAL 371 Cb 1.24 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1sgx h VAL 371 CO 0.94 0.33 0.05 0.40 0.02 0.00 0.00 177.57 179.31 1sgx h ILE 372 N 0.52 1.24 -0.48 4.57 2.04 -1.81 -2.02 117.51 121.56 1sgx h ILE 372 Ca 0.10 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1sgx h ILE 372 Cb 0.46 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1sgx h ILE 372 CO 0.02 0.28 0.09 1.23 0.00 0.00 0.00 178.15 179.77 1sgx h GLY 373 N 0.40 0.80 0.97 5.37 0.00 -1.83 -2.58 103.07 106.20 1sgx h GLY 373 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1sgx h GLY 373 CO 0.01 0.43 0.23 -2.08 0.00 0.00 0.00 176.54 175.13 1sgx h VAL 374 N 0.72 1.16 -0.95 4.60 2.07 -0.98 -0.46 116.25 122.41 1sgx h VAL 374 Ca 0.16 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1sgx h VAL 374 Cb 0.30 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 1sgx h VAL 374 CO 0.00 0.17 0.62 -0.09 0.02 0.00 0.00 177.57 178.30 1sgx h ARG 375 N 0.57 1.26 -0.00 1.57 2.43 -1.06 -2.15 114.38 116.99 1sgx h ARG 375 Ca 0.15 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1sgx h ARG 375 Cb 0.07 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1sgx h ARG 375 CO -0.02 0.84 -0.09 0.39 -1.51 0.00 0.00 179.97 179.58 1sgx n GLU 376 N -4.41 0.86 -1.23 0.20 -0.58 -1.00 -4.54 120.64 109.93 1sgx n GLU 376 Ca 0.11 -0.31 -0.03 0.00 -0.42 0.00 0.00 57.16 56.51 1sgx n GLU 376 Cb 0.02 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.38 1sgx n GLU 376 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sgx n GLY 377 N 1.23 0.56 2.40 0.62 0.00 -0.34 -4.90 105.19 104.76 1sgx n GLY 377 Ca 0.16 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 1sgx n GLY 377 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sgx n ASP 378 N 1.49 8.04 0.00 1.61 8.00 -0.33 -4.23 116.55 131.12 1sgx n ASP 378 Ca -0.03 -2.72 0.03 0.00 0.71 0.00 0.00 54.79 52.78 1sgx n ASP 378 Cb 0.17 -1.53 0.18 0.00 -0.02 0.00 0.00 41.12 39.92 1sgx n ASP 378 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1sgx n VAL 379 N 3.40 0.00 0.41 2.53 0.24 -1.26 -2.79 118.33 120.86 1sgx n VAL 379 Ca 0.72 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 63.14 1sgx n VAL 379 Cb 0.25 -0.37 0.13 0.00 -1.47 0.00 0.00 33.84 32.38 1sgx n VAL 379 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1sgx h GLN 380 N 0.00 0.00 -7.01 7.34 -0.00 -1.96 -3.38 115.11 110.10 1sgx h GLN 380 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 58.65 58.19 1sgx h GLN 380 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1sgx h GLN 380 CO 0.00 0.00 0.36 -0.51 -0.00 0.00 0.00 178.83 178.68 1sgx s LEU 381 N -4.73 4.03 0.45 0.06 1.43 -1.12 -5.04 118.68 113.75 1sgx s LEU 381 Ca 0.05 1.83 -0.22 0.00 -1.03 0.00 0.00 54.13 54.76 1sgx s LEU 381 Cb 0.11 -4.38 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 1sgx s LEU 381 CO 0.73 -0.43 1.07 0.20 0.23 0.00 0.00 176.35 178.15 1sgx s ASN 382 N -1.92 6.46 0.07 2.29 0.01 -1.26 -4.26 114.94 116.34 1sgx s ASN 382 Ca 0.60 2.04 0.08 0.00 -0.71 0.00 0.00 52.86 54.87 1sgx s ASN 382 Cb -0.15 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.90 1sgx s ASN 382 CO 0.19 -0.70 -0.21 -0.36 -1.51 0.00 0.00 177.10 174.51 1sgx s PHE 383 N -1.77 1.81 -1.37 2.20 0.40 0.08 -4.65 117.98 114.67 1sgx s PHE 383 Ca 0.63 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.48 1sgx s PHE 383 Cb -0.21 -1.04 0.06 0.00 0.51 0.00 0.00 43.02 42.34 1sgx s PHE 383 CO 0.26 0.15 0.56 -0.25 0.70 0.00 0.00 175.22 176.63 1sgx n ASP 384 N 1.48 -4.42 -0.19 1.36 8.00 -1.26 -4.11 116.55 117.41 1sgx n ASP 384 Ca -0.18 -0.39 -0.07 0.00 0.71 0.00 0.00 54.79 54.85 1sgx n ASP 384 Cb 0.53 -3.62 0.03 0.00 -0.02 0.00 0.00 41.12 38.04 1sgx n ASP 384 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1sgx h MET 385 N -1.17 0.76 -0.53 -1.24 2.86 -1.81 -2.63 114.93 111.18 1sgx h MET 385 Ca -0.47 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.15 1sgx h MET 385 Cb 1.32 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 1sgx h MET 385 CO 0.55 0.57 0.24 -1.35 1.06 0.00 0.00 176.91 177.99 1sgx h PRO 386 N 0.74 0.45 0.11 -0.22 0.11 -1.91 0.20 132.00 131.47 1sgx h PRO 386 Ca 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1sgx h PRO 386 Cb 0.02 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1sgx h PRO 386 CO -0.03 0.30 -0.05 0.35 -0.21 0.00 0.00 178.00 178.36 1sgx h PHE 387 N 0.47 -0.13 -0.60 0.65 3.57 -1.91 -2.17 116.94 116.81 1sgx h PHE 387 Ca 0.24 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1sgx h PHE 387 Cb 0.20 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1sgx h PHE 387 CO -0.12 0.11 0.20 0.82 -2.23 0.00 0.00 178.31 177.10 1sgx h ILE 388 N -0.37 1.24 -0.44 1.41 2.04 -1.31 -1.31 117.51 118.77 1sgx h ILE 388 Ca -0.01 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.09 1sgx h ILE 388 Cb 0.31 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1sgx h ILE 388 CO 0.02 0.30 0.21 0.15 0.00 0.00 0.00 178.15 178.84 1sgx h PHE 389 N 0.84 0.39 -0.64 1.37 3.57 -0.62 -1.80 116.94 120.06 1sgx h PHE 389 Ca 0.20 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1sgx h PHE 389 Cb 0.26 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1sgx h PHE 389 CO 0.02 0.20 0.33 0.00 -2.23 0.00 0.00 178.31 176.62 1sgx h ALA 390 N 1.24 1.38 -0.55 2.41 0.00 -1.04 0.99 119.26 123.68 1sgx h ALA 390 Ca 0.19 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1sgx h ALA 390 Cb 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 1sgx h ALA 390 CO -0.14 0.50 0.24 0.93 0.00 0.00 0.00 179.25 180.78 1sgx h GLU 391 N 0.89 0.43 0.00 0.00 5.08 -0.37 -0.93 114.58 119.68 1sgx h GLU 391 Ca 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1sgx h GLU 391 Cb 0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1sgx h GLU 391 CO -0.03 0.29 -0.99 1.33 -1.00 0.00 0.00 179.01 178.60 1sgx n VAL 392 N -4.95 0.31 -2.28 3.13 0.24 -1.04 -2.19 118.33 111.55 1sgx n VAL 392 Ca 0.06 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1sgx n VAL 392 Cb 0.20 -0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.55 1sgx n VAL 392 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sgx n ASN 393 N -2.19 0.25 -4.80 -1.34 5.15 0.32 -3.43 115.26 109.22 1sgx n ASN 393 Ca 0.01 -1.95 -0.34 0.00 -0.60 0.00 0.00 54.58 51.70 1sgx n ASN 393 Cb 0.47 -0.09 -0.04 0.00 -0.53 0.00 0.00 39.78 39.59 1sgx n ASN 393 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sgx s ALA 394 N 0.00 2.89 0.50 5.20 0.00 -0.37 -4.88 121.76 125.10 1sgx s ALA 394 Ca 0.19 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 1sgx s ALA 394 Cb 0.22 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1sgx s ALA 394 CO -0.09 -0.28 0.96 -0.51 0.00 0.00 0.00 175.76 175.83 1sgx s ASP 395 N -1.96 6.64 -0.16 0.00 1.01 -0.63 -4.46 116.67 117.11 1sgx s ASP 395 Ca 0.66 1.53 0.00 0.00 0.71 0.00 0.00 52.55 55.46 1sgx s ASP 395 Cb -0.16 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1sgx s ASP 395 CO 0.20 -0.55 -0.16 -0.60 0.21 0.00 0.00 175.17 174.28 1sgx s ARG 396 N -3.97 3.18 -0.18 8.23 3.52 0.11 -1.84 118.95 128.00 1sgx s ARG 396 Ca 0.58 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 55.38 1sgx s ARG 396 Cb -0.10 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.63 1sgx s ARG 396 CO 0.30 -0.05 -0.02 0.42 -0.81 0.00 0.00 175.30 175.15 1sgx s ILE 397 N 0.96 3.96 -0.22 4.11 1.01 -0.14 0.16 121.20 131.04 1sgx s ILE 397 Ca -0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1sgx s ILE 397 Cb -0.15 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1sgx s ILE 397 CO -0.03 0.46 0.13 -0.89 0.00 0.00 0.00 174.94 174.62 1sgx s THR 398 N 0.67 5.25 0.15 2.92 2.01 -0.56 -0.98 115.64 125.11 1sgx s THR 398 Ca -0.01 0.14 0.11 0.00 0.31 0.00 0.00 61.69 62.24 1sgx s THR 398 Cb -0.14 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1sgx s THR 398 CO 0.02 0.39 -0.24 0.26 -0.69 0.00 0.00 174.62 174.36 1sgx s TRP 399 N 0.77 2.35 -0.03 4.92 0.52 0.87 -0.35 118.94 128.00 1sgx s TRP 399 Ca 0.07 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.84 1sgx s TRP 399 Cb -0.13 -1.22 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 1sgx s TRP 399 CO 0.02 0.41 -0.01 -0.51 0.02 0.00 0.00 176.95 176.89 1sgx s LEU 400 N -2.34 3.50 -0.11 2.99 2.01 -0.51 -1.45 118.68 122.77 1sgx s LEU 400 Ca 0.18 0.04 -0.05 0.00 0.01 0.00 0.00 54.13 54.30 1sgx s LEU 400 Cb -0.09 -1.92 0.05 0.00 0.01 0.00 0.00 46.19 44.23 1sgx s LEU 400 CO 0.08 0.32 0.25 -0.47 1.01 0.00 0.00 176.35 177.54 1sgx s TYR 401 N -1.00 -0.34 -0.38 0.29 6.14 0.64 -1.47 117.35 121.23 1sgx s TYR 401 Ca 0.17 0.81 -0.02 0.00 0.64 0.00 0.00 57.07 58.66 1sgx s TYR 401 Cb -0.11 0.05 0.09 0.00 0.42 0.00 0.00 41.96 42.41 1sgx s TYR 401 CO 0.07 -0.24 0.14 0.34 0.64 0.00 0.00 175.55 176.50 1sgx s ASP 402 N 1.32 5.15 0.43 4.32 -1.08 -0.04 -4.14 116.67 122.62 1sgx s ASP 402 Ca -0.09 -1.82 0.14 0.00 -0.52 0.00 0.00 52.55 50.26 1sgx s ASP 402 Cb -0.10 -1.79 1.02 0.00 -1.46 0.00 0.00 42.92 40.58 1sgx s ASP 402 CO -0.09 -0.46 1.97 -1.13 0.52 0.00 0.00 175.17 175.98 1sgx h ASN 403 N 8.02 0.39 0.57 -0.34 -1.24 -1.94 0.15 115.58 121.20 1sgx h ASN 403 Ca -0.15 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1sgx h ASN 403 Cb 1.05 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.03 1sgx h ASN 403 CO 0.65 0.23 -0.07 0.71 -1.29 0.00 0.00 177.43 177.66 1sgx h THR 404 N 0.43 0.26 -0.00 -3.57 1.35 -1.96 -3.00 112.91 106.42 1sgx h THR 404 Ca 0.30 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1sgx h THR 404 Cb 0.58 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1sgx h THR 404 CO -0.09 0.07 -0.07 0.35 -0.25 0.00 0.00 175.52 175.52 1sgx n THR 405 N -3.31 0.00 -0.68 6.82 -2.24 -0.46 -4.97 114.28 109.44 1sgx n THR 405 Ca -0.01 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1sgx n THR 405 Cb 0.25 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1sgx n THR 405 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgx n GLY 406 N 0.66 0.52 3.74 3.38 0.00 0.41 -4.95 105.19 108.94 1sgx n GLY 406 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1sgx n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgx s LYS 407 N -0.51 4.65 -0.01 1.61 1.02 -1.16 -4.89 119.74 120.45 1sgx s LYS 407 Ca 0.00 1.61 0.04 0.00 0.02 0.00 0.00 55.97 57.63 1sgx s LYS 407 Cb 0.00 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1sgx s LYS 407 CO 0.00 0.16 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.33 1sgx s GLN 408 N -0.31 1.01 -0.13 1.68 0.74 -1.26 -0.87 119.66 120.53 1sgx s GLN 408 Ca 0.48 -0.42 -0.10 0.00 0.05 0.00 0.00 55.36 55.37 1sgx s GLN 408 Cb -0.27 -0.97 0.04 0.00 1.10 0.00 0.00 33.01 32.91 1sgx s GLN 408 CO 0.33 0.23 0.33 1.67 -0.55 0.00 0.00 175.29 177.30 1sgx s TRP 409 N -0.19 -0.41 0.18 1.67 -2.14 -0.54 -5.00 118.94 112.51 1sgx s TRP 409 Ca 0.03 0.96 -0.31 0.00 2.66 0.00 0.00 56.10 59.44 1sgx s TRP 409 Cb -0.06 0.14 -0.09 0.00 -3.10 0.00 0.00 33.47 30.36 1sgx s TRP 409 CO -0.00 -0.22 1.43 0.21 -2.66 0.00 0.00 176.95 175.70 1sgx s LYS 410 N 0.67 4.30 -0.25 3.25 2.20 -1.26 -1.42 119.74 127.23 1sgx s LYS 410 Ca -0.04 2.20 -0.07 0.00 -0.36 0.00 0.00 55.97 57.70 1sgx s LYS 410 Cb -0.05 -3.18 -0.17 0.00 -1.51 0.00 0.00 37.83 32.92 1sgx s LYS 410 CO -0.04 -0.43 -0.16 -1.71 -0.36 0.00 0.00 175.35 172.64 1sgx n ASN 411 N 3.25 1.98 -3.63 1.43 2.85 0.53 -4.91 115.26 116.75 1sgx n ASN 411 Ca 0.10 0.12 -0.03 0.00 -0.11 0.00 0.00 54.58 54.66 1sgx n ASN 411 Cb 0.41 -0.66 -0.01 0.00 1.24 0.00 0.00 39.78 40.76 1sgx n ASN 411 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1sgx s SER 412 N -6.96 -0.17 -0.11 1.20 1.04 -1.17 -5.00 113.70 102.52 1sgx s SER 412 Ca -0.34 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 55.94 1sgx s SER 412 Cb 0.11 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1sgx s SER 412 CO 0.58 -0.53 -0.14 -0.69 0.98 0.00 0.00 173.24 173.44 1sgx s VAL 413 N -2.82 1.44 -0.24 5.02 1.01 -1.26 -1.49 120.40 122.05 1sgx s VAL 413 Ca 0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1sgx s VAL 413 Cb 0.01 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1sgx s VAL 413 CO -0.03 0.43 -0.06 0.21 0.00 0.00 0.00 175.10 175.65 1sgx s ASN 414 N 1.13 4.27 -0.07 3.32 3.84 0.12 -4.96 114.94 122.61 1sgx s ASN 414 Ca -0.04 -0.83 0.18 0.00 0.21 0.00 0.00 52.86 52.39 1sgx s ASN 414 Cb -0.14 -1.66 0.63 0.00 -0.55 0.00 0.00 41.25 39.52 1sgx s ASN 414 CO -0.04 -0.12 1.54 -1.54 -2.79 0.00 0.00 177.10 174.16 1sgx n SER 415 N 4.68 4.23 0.00 -4.21 3.41 -1.26 0.09 113.62 120.56 1sgx n SER 415 Ca -0.17 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1sgx n SER 415 Cb 0.47 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1sgx n SER 415 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sgx n HIS 416 N 1.06 0.00 0.10 7.33 1.44 -1.26 -4.83 115.22 119.06 1sgx n HIS 416 Ca 0.23 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.90 1sgx n HIS 416 Cb 0.75 0.00 0.16 0.00 0.12 0.00 0.00 29.99 31.02 1sgx n HIS 416 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sgx h THR 417 N 0.00 1.37 -3.75 0.61 1.03 -1.91 -3.45 112.91 106.81 1sgx h THR 417 Ca 0.00 -1.87 -0.50 0.00 -0.01 0.00 0.00 66.41 64.03 1sgx h THR 417 Cb 0.00 1.94 -0.01 0.00 -1.07 0.00 0.00 68.15 69.01 1sgx h THR 417 CO 0.00 0.55 0.40 -0.63 -0.01 0.00 0.00 175.52 175.83 1sgx s ILE 418 N -3.84 3.88 -0.22 0.00 -1.09 -1.26 -4.49 121.20 114.18 1sgx s ILE 418 Ca -0.04 1.87 -0.01 0.00 -2.23 0.00 0.00 60.65 60.24 1sgx s ILE 418 Cb 0.12 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1sgx s ILE 418 CO 0.78 0.44 0.22 0.61 -1.23 0.00 0.00 174.94 175.77 1sgx n GLY 419 N 1.44 -0.68 3.33 6.18 0.00 -0.51 -4.55 105.19 110.40 1sgx n GLY 419 Ca -0.01 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1sgx n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sgx s ARG 420 N -2.64 1.26 -1.63 1.61 0.52 -0.33 -4.82 118.95 112.91 1sgx s ARG 420 Ca 0.02 -1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 53.80 1sgx s ARG 420 Cb -0.01 -1.39 0.07 0.00 0.52 0.00 0.00 34.95 34.14 1sgx s ARG 420 CO 0.25 0.29 0.23 0.66 0.02 0.00 0.00 175.30 176.75 1sgx n TYR 421 N 0.49 -1.29 -1.64 -0.53 0.53 -1.26 -1.98 117.16 111.48 1sgx n TYR 421 Ca -0.15 0.65 -0.42 0.00 -1.02 0.00 0.00 57.90 56.96 1sgx n TYR 421 Cb 0.56 -2.64 -0.03 0.00 -1.03 0.00 0.00 39.34 36.20 1sgx n TYR 421 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1sgx s ILE 422 N -4.01 3.02 0.16 -0.72 1.01 -1.26 -4.56 121.20 114.84 1sgx s ILE 422 Ca 0.25 0.02 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1sgx s ILE 422 Cb -0.15 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1sgx s ILE 422 CO 1.00 -0.01 -0.18 -0.44 0.00 0.00 0.00 174.94 175.31 1sgx s SER 423 N 6.31 2.67 0.03 3.58 0.01 0.56 -0.04 113.70 126.82 1sgx s SER 423 Ca 0.94 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 57.22 1sgx s SER 423 Cb -0.38 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.71 1sgx s SER 423 CO 0.38 -0.03 0.26 0.28 0.41 0.00 0.00 173.24 174.55 1sgx s THR 424 N -2.02 0.09 0.30 1.44 -1.32 -0.21 -0.29 115.64 113.63 1sgx s THR 424 Ca 0.15 -0.70 -0.29 0.00 -1.21 0.00 0.00 61.69 59.64 1sgx s THR 424 Cb -0.06 -0.84 -0.11 0.00 -1.51 0.00 0.00 72.50 69.99 1sgx s THR 424 CO 0.06 -0.39 1.46 -0.75 -2.21 0.00 0.00 174.62 172.79 1sgx s LYS 425 N -2.25 4.22 0.66 7.08 2.20 -1.26 0.05 119.74 130.45 1sgx s LYS 425 Ca -0.07 2.40 -0.15 0.00 -0.36 0.00 0.00 55.97 57.79 1sgx s LYS 425 Cb -0.02 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1sgx s LYS 425 CO -0.02 -0.44 1.11 0.00 -0.36 0.00 0.00 175.35 175.64 1sgx s ALA 426 N -0.44 2.47 -0.03 3.13 0.00 -0.18 -4.74 121.76 121.97 1sgx s ALA 426 Ca 0.57 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 1sgx s ALA 426 Cb -0.44 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1sgx s ALA 426 CO 0.50 -1.28 1.61 0.08 0.00 0.00 0.00 175.76 176.67 1sgx s VAL 427 N -2.39 3.54 0.00 0.00 1.01 -1.26 -3.19 120.40 118.11 1sgx s VAL 427 Ca 0.66 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1sgx s VAL 427 Cb -0.20 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1sgx s VAL 427 CO 0.42 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1sgx n GLY 428 N 4.04 0.51 3.66 4.51 0.00 -1.26 -4.98 105.19 111.67 1sgx n GLY 428 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1sgx n GLY 428 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgx s SER 429 N -2.26 0.13 -0.06 1.61 1.04 -1.19 -5.04 113.70 107.92 1sgx s SER 429 Ca 0.00 -1.05 0.16 0.00 0.48 0.00 0.00 55.95 55.54 1sgx s SER 429 Cb 0.00 0.69 0.58 0.00 0.10 0.00 0.00 66.02 67.39 1sgx s SER 429 CO 0.00 -1.34 1.47 0.59 0.98 0.00 0.00 173.24 174.94 1sgx n ASN 430 N -0.87 3.77 -4.73 7.02 3.02 -1.26 -3.86 115.26 118.34 1sgx n ASN 430 Ca -0.03 -2.25 -0.32 0.00 -0.03 0.00 0.00 54.58 51.96 1sgx n ASN 430 Cb 0.61 -0.49 0.11 0.00 -0.61 0.00 0.00 39.78 39.40 1sgx n ASN 430 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sgx s ALA 431 N -1.59 2.04 -0.23 5.41 0.00 -1.26 -4.77 121.76 121.36 1sgx s ALA 431 Ca 0.42 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 1sgx s ALA 431 Cb 0.25 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1sgx s ALA 431 CO 0.23 -2.00 0.46 0.50 0.00 0.00 0.00 175.76 174.96 1sgx s ARG 432 N -4.53 4.12 -0.27 0.00 3.52 -1.26 -1.01 118.95 119.51 1sgx s ARG 432 Ca 0.66 0.28 -0.12 0.00 -0.13 0.00 0.00 55.73 56.42 1sgx s ARG 432 Cb -0.21 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 1sgx s ARG 432 CO 0.52 -0.20 0.22 1.41 -0.81 0.00 0.00 175.30 176.44 1sgx s MET 433 N 1.81 3.97 -0.21 5.12 -2.45 0.11 -4.87 119.30 122.78 1sgx s MET 433 Ca 0.21 -0.26 -0.20 0.00 -1.25 0.00 0.00 55.69 54.19 1sgx s MET 433 Cb -0.15 -3.65 -0.03 0.00 1.25 0.00 0.00 34.83 32.25 1sgx s MET 433 CO 0.09 -0.17 0.59 0.34 1.05 0.00 0.00 175.02 176.92 1sgx s ASP 434 N 1.67 6.62 -0.19 1.11 -1.08 -1.26 -1.04 116.67 122.49 1sgx s ASP 434 Ca 0.08 0.75 0.14 0.00 -0.52 0.00 0.00 52.55 53.00 1sgx s ASP 434 Cb -0.16 -2.33 0.39 0.00 -1.46 0.00 0.00 42.92 39.36 1sgx s ASP 434 CO 0.10 -0.27 1.22 1.33 0.52 0.00 0.00 175.17 178.08 1sgx n VAL 435 N 4.78 2.13 -0.21 1.11 0.24 0.94 -4.75 118.33 122.56 1sgx n VAL 435 Ca -0.02 -2.83 -0.02 0.00 -2.04 0.00 0.00 64.34 59.43 1sgx n VAL 435 Cb 0.50 -0.25 0.09 0.00 -1.47 0.00 0.00 33.84 32.71 1sgx n VAL 435 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1sgx h THR 436 N 0.69 0.94 0.00 3.34 2.02 -1.92 -0.95 112.91 117.03 1sgx h THR 436 Ca 0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1sgx h THR 436 Cb 1.07 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1sgx h THR 436 CO 0.04 0.11 0.00 -2.24 0.37 0.00 0.00 175.52 173.80 1sgx h ASP 437 N 0.61 0.00 0.96 4.18 2.03 -1.86 -0.05 116.42 122.29 1sgx h ASP 437 Ca 0.28 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.40 1sgx h ASP 437 Cb 0.20 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.67 1sgx h ASP 437 CO -0.19 0.00 -1.10 0.11 -1.03 0.00 0.00 179.24 177.02 1sgx h LYS 438 N 0.00 0.00 0.00 4.15 1.79 -1.53 -3.35 116.57 117.63 1sgx h LYS 438 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sgx h LYS 438 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1sgx h LYS 438 CO 0.00 0.57 -1.10 0.66 -1.08 0.00 0.00 179.45 178.50 1sgx n TYR 439 N -3.13 0.26 -3.47 -1.35 4.02 -0.11 -4.49 117.16 108.89 1sgx n TYR 439 Ca -0.05 0.08 -0.10 0.00 -0.01 0.00 0.00 57.90 57.81 1sgx n TYR 439 Cb 0.87 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.74 1sgx n TYR 439 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1sgx s LYS 440 N -3.22 0.99 0.61 -0.72 -2.85 -0.76 -3.59 119.74 110.19 1sgx s LYS 440 Ca 0.03 -0.34 -0.14 0.00 -1.00 0.00 0.00 55.97 54.51 1sgx s LYS 440 Cb 0.14 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.34 1sgx s LYS 440 CO 0.81 -0.43 1.05 0.71 0.10 0.00 0.00 175.35 177.59 1sgx s TYR 441 N -3.26 3.10 0.15 1.78 1.51 -1.26 -4.30 117.35 115.07 1sgx s TYR 441 Ca 0.03 1.48 -0.34 0.00 -1.01 0.00 0.00 57.07 57.22 1sgx s TYR 441 Cb -0.01 -2.94 -0.15 0.00 -0.11 0.00 0.00 41.96 38.75 1sgx s TYR 441 CO -0.10 -1.03 1.39 -2.30 -1.11 0.00 0.00 175.55 172.40 1sgx n PRO 442 N -2.26 1.60 -1.86 -1.71 -0.02 -1.26 -4.70 135.00 124.79 1sgx n PRO 442 Ca 0.08 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1sgx n PRO 442 Cb 0.53 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1sgx n PRO 442 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1sgx s GLU 443 N 0.30 4.17 0.00 -0.52 0.41 -1.26 -1.80 118.70 120.01 1sgx s GLU 443 Ca 0.78 2.48 0.00 0.00 -0.41 0.00 0.00 54.97 57.82 1sgx s GLU 443 Cb -0.80 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.49 1sgx s GLU 443 CO 0.46 -0.57 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 1sgx n GLY 444 N 2.33 2.60 3.90 -1.39 0.00 -1.26 -5.07 105.19 106.29 1sgx n GLY 444 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1sgx n GLY 444 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgx s SER 445 N -1.35 6.33 0.23 1.61 1.04 -0.74 -4.98 113.70 115.84 1sgx s SER 445 Ca 0.00 1.02 -0.01 0.00 0.48 0.00 0.00 55.95 57.43 1sgx s SER 445 Cb 0.00 -2.28 0.25 0.00 0.10 0.00 0.00 66.02 64.09 1sgx s SER 445 CO 0.00 -0.55 1.63 0.44 0.98 0.00 0.00 173.24 175.74 1sgx h ASP 446 N 0.46 0.63 -0.37 7.02 3.32 -1.98 -3.07 116.42 122.43 1sgx h ASP 446 Ca -0.47 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 56.39 1sgx h ASP 446 Cb 1.20 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 1sgx h ASP 446 CO 0.62 0.90 0.07 1.56 -1.72 0.00 0.00 179.24 180.67 1sgx h GLN 447 N 0.52 0.19 -0.59 3.56 7.50 -1.94 0.22 115.11 124.57 1sgx h GLN 447 Ca 0.06 -0.01 0.11 0.00 0.50 0.00 0.00 58.65 59.31 1sgx h GLN 447 Cb 0.79 -0.04 -0.08 0.00 0.05 0.00 0.00 27.48 28.20 1sgx h GLN 447 CO 0.06 0.12 0.13 1.49 -1.50 0.00 0.00 178.83 179.14 1sgx h GLU 448 N 0.19 0.26 -0.13 1.46 4.22 -1.76 0.38 114.58 119.20 1sgx h GLU 448 Ca 0.18 -0.02 -0.17 0.00 0.08 0.00 0.00 59.36 59.43 1sgx h GLU 448 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1sgx h GLU 448 CO -0.24 0.17 -0.63 -0.09 -2.18 0.00 0.00 179.01 176.04 1sgx h ARG 449 N 0.26 0.46 -0.26 1.92 9.65 -1.33 -2.11 114.38 122.99 1sgx h ARG 449 Ca 0.31 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1sgx h ARG 449 Cb 0.45 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1sgx h ARG 449 CO -0.39 0.94 0.12 1.96 2.80 0.00 0.00 179.97 185.40 1sgx h GLN 450 N 0.34 0.37 -0.59 0.20 4.20 0.43 -0.77 115.11 119.29 1sgx h GLN 450 Ca -0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1sgx h GLN 450 Cb 1.18 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 1sgx h GLN 450 CO 0.11 0.39 0.25 0.28 -0.67 0.00 0.00 178.83 179.19 1sgx h VAL 451 N 0.27 1.22 -0.12 -0.54 2.07 -0.97 0.52 116.25 118.72 1sgx h VAL 451 Ca 0.09 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1sgx h VAL 451 Cb 0.14 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1sgx h VAL 451 CO -0.01 0.27 -0.17 0.15 0.02 0.00 0.00 177.57 177.82 1sgx h PHE 452 N 0.82 -0.45 -0.96 1.57 3.57 -1.06 0.23 116.94 120.65 1sgx h PHE 452 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1sgx h PHE 452 Cb 0.18 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1sgx h PHE 452 CO 0.01 -0.25 0.62 1.96 -2.23 0.00 0.00 178.31 178.42 1sgx h GLN 453 N -0.23 1.28 0.19 1.11 1.08 -0.87 -0.19 115.11 117.48 1sgx h GLN 453 Ca 0.09 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1sgx h GLN 453 Cb 0.36 -0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1sgx h GLN 453 CO -0.25 0.87 -0.11 -0.22 -0.95 0.00 0.00 178.83 178.17 1sgx h LYS 454 N 1.31 -0.27 -0.60 1.46 3.64 0.34 0.12 116.57 122.57 1sgx h LYS 454 Ca 0.35 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1sgx h LYS 454 Cb -0.12 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1sgx h LYS 454 CO -0.07 -0.18 0.28 0.00 -2.27 0.00 0.00 179.45 177.21 1sgx h ALA 455 N 0.53 0.78 -0.55 5.00 0.00 -0.29 -2.00 119.26 122.72 1sgx h ALA 455 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1sgx h ALA 455 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1sgx h ALA 455 CO 0.02 0.35 0.17 1.25 0.00 0.00 0.00 179.25 181.05 1sgx h LEU 456 N 0.83 0.76 -1.05 0.00 5.85 -0.87 -2.10 115.31 118.73 1sgx h LEU 456 Ca 0.21 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1sgx h LEU 456 Cb 0.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1sgx h LEU 456 CO -0.02 0.72 -0.12 1.23 -0.34 0.00 0.00 178.44 179.91 1sgx h GLY 457 N 0.95 0.58 2.00 3.75 0.00 -0.28 0.28 103.07 110.36 1sgx h GLY 457 Ca 0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1sgx h GLY 457 CO -0.01 0.38 -0.38 0.50 0.00 0.00 0.00 176.54 177.02 1sgx h LYS 458 N 0.50 0.00 0.01 4.80 1.57 -0.73 -2.57 116.57 120.15 1sgx h LYS 458 Ca 0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.58 1sgx h LYS 458 Cb 0.50 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1sgx h LYS 458 CO 0.03 0.38 -1.68 -0.07 -0.57 0.00 0.00 179.45 177.54 1sgx h LEU 459 N 0.00 0.03 -6.30 2.94 3.38 -0.88 -3.44 115.31 111.04 1sgx h LEU 459 Ca -0.00 -0.05 -0.43 0.00 0.09 0.00 0.00 57.88 57.48 1sgx h LEU 459 Cb 0.77 -0.01 -0.33 0.00 0.09 0.00 0.00 40.66 41.19 1sgx h LEU 459 CO 0.05 1.05 -0.75 -0.54 0.09 0.00 0.00 178.44 178.34 1sgx s LYS 460 N -2.60 0.70 -0.65 1.13 1.02 0.94 -5.06 119.74 115.21 1sgx s LYS 460 Ca -0.05 -1.18 -0.26 0.00 0.02 0.00 0.00 55.97 54.49 1sgx s LYS 460 Cb 0.08 -0.90 -0.24 0.00 -0.52 0.00 0.00 37.83 36.25 1sgx s LYS 460 CO 0.82 -1.24 1.86 -2.30 -0.92 0.00 0.00 175.35 173.57 1sgx n PRO 461 N 3.87 0.67 0.00 -1.68 -0.02 -0.98 -4.45 135.00 132.40 1sgx n PRO 461 Ca 0.15 -1.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.00 1sgx n PRO 461 Cb 0.45 -3.16 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 1sgx n PRO 461 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sgx n GLU 479 N 7.84 0.00 -1.75 -0.52 2.13 -1.26 -5.10 120.64 121.98 1sgx n GLU 479 Ca 0.46 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.86 1sgx n GLU 479 Cb 0.44 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.13 1sgx n GLU 479 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1sgx n PRO 480 N 0.00 2.74 0.17 5.31 -0.02 -1.26 -4.89 135.00 137.04 1sgx n PRO 480 Ca 0.00 0.97 0.04 0.00 -2.02 0.00 0.00 63.50 62.49 1sgx n PRO 480 Cb 0.00 -2.76 0.21 0.00 -0.02 0.00 0.00 33.50 30.94 1sgx n PRO 480 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1sgx h SER 481 N 4.63 0.00 -3.50 2.55 0.02 -1.95 -3.45 113.55 111.85 1sgx h SER 481 Ca -0.47 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.81 1sgx h SER 481 Cb 1.22 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.53 1sgx h SER 481 CO 0.78 0.45 -0.73 -0.63 -1.14 0.00 0.00 176.83 175.56 1sgx s ILE 482 N -3.35 3.34 -0.00 3.27 -1.09 -1.26 0.23 121.20 122.33 1sgx s ILE 482 Ca 0.01 -0.58 0.06 0.00 -2.23 0.00 0.00 60.65 57.91 1sgx s ILE 482 Cb 0.10 -2.39 -0.02 0.00 -1.58 0.00 0.00 42.46 38.57 1sgx s ILE 482 CO 0.71 0.54 -0.18 0.27 -1.23 0.00 0.00 174.94 175.06 1sgx s ILE 483 N -0.04 1.41 0.13 2.92 -4.36 -1.07 -4.95 121.20 115.24 1sgx s ILE 483 Ca -0.02 -0.83 0.04 0.00 -0.26 0.00 0.00 60.65 59.58 1sgx s ILE 483 Cb -0.14 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 1sgx s ILE 483 CO 0.03 0.34 -0.09 -0.83 0.24 0.00 0.00 174.94 174.64 1sgx s GLY 484 N -0.56 0.97 -0.18 6.27 0.00 -1.26 -2.00 107.32 110.57 1sgx s GLY 484 Ca 0.07 -1.45 -0.16 0.00 0.00 0.00 0.00 44.72 43.18 1sgx s GLY 484 CO -0.00 -1.55 0.47 1.25 0.00 0.00 0.00 173.10 173.27 1sgx s LYS 485 N -3.78 0.55 -0.23 2.90 2.47 -0.37 -4.95 119.74 116.34 1sgx s LYS 485 Ca 0.15 0.67 -0.09 0.00 -1.56 0.00 0.00 55.97 55.14 1sgx s LYS 485 Cb 0.03 0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 1sgx s LYS 485 CO -0.01 -0.07 0.12 -0.51 0.16 0.00 0.00 175.35 175.04 1sgx s LEU 486 N 0.30 3.95 0.04 5.43 1.43 -1.26 -0.21 118.68 128.36 1sgx s LEU 486 Ca -0.00 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1sgx s LEU 486 Cb -0.03 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1sgx s LEU 486 CO 0.00 0.08 -0.25 -0.54 0.23 0.00 0.00 176.35 175.86 1sgx s LYS 487 N 0.98 1.84 -0.17 1.70 -0.14 -0.33 -4.98 119.74 118.64 1sgx s LYS 487 Ca 0.06 -1.09 -0.25 0.00 -1.36 0.00 0.00 55.97 53.33 1sgx s LYS 487 Cb -0.14 -2.00 -0.02 0.00 -1.68 0.00 0.00 37.83 33.99 1sgx s LYS 487 CO 0.04 0.52 0.81 0.08 -0.76 0.00 0.00 175.35 176.03 1sgx s VAL 488 N -0.82 4.90 -1.44 3.17 1.01 -1.26 -0.95 120.40 125.02 1sgx s VAL 488 Ca 0.12 1.58 0.25 0.00 0.00 0.00 0.00 61.98 63.92 1sgx s VAL 488 Cb -0.10 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.25 1sgx s VAL 488 CO 0.02 0.04 1.37 0.00 0.00 0.00 0.00 175.10 176.53 1sgx n ALA 489 N 5.22 3.51 -3.00 5.51 0.00 0.11 -4.93 120.51 126.93 1sgx n ALA 489 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1sgx n ALA 489 Cb 0.49 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1sgx n ALA 489 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sgx n GLY 490 N 1.42 2.20 3.77 0.00 0.00 -1.22 -4.99 105.19 106.37 1sgx n GLY 490 Ca 0.08 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1sgx n GLY 490 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sgx s MET 491 N -1.53 4.18 -0.27 1.61 1.75 -1.26 -4.91 119.30 118.87 1sgx s MET 491 Ca 0.00 1.90 0.00 0.00 -1.25 0.00 0.00 55.69 56.34 1sgx s MET 491 Cb 0.00 -2.81 0.05 0.00 2.84 0.00 0.00 34.83 34.91 1sgx s MET 491 CO 0.00 -0.23 -0.07 -0.51 -0.65 0.00 0.00 175.02 173.56 1sgx s LEU 492 N -2.24 3.48 -0.13 4.11 1.43 -1.26 -4.76 118.68 119.30 1sgx s LEU 492 Ca 0.54 -1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 1sgx s LEU 492 Cb -0.32 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.32 1sgx s LEU 492 CO 0.41 -0.19 0.43 0.00 0.23 0.00 0.00 176.35 177.23 1sgx s ALA 493 N 1.20 -1.06 -0.12 4.21 0.00 -1.26 -1.14 121.76 123.59 1sgx s ALA 493 Ca -0.05 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 1sgx s ALA 493 Cb -0.19 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.34 1sgx s ALA 493 CO -0.04 -0.23 2.07 0.08 0.00 0.00 0.00 175.76 177.65 1sgx s VAL 494 N -0.15 3.07 0.00 0.00 1.01 -0.05 -1.02 120.40 123.26 1sgx s VAL 494 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1sgx s VAL 494 Cb -0.03 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1sgx s VAL 494 CO 0.02 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1sgx n GLY 495 N 5.20 0.93 3.94 4.51 0.00 -1.26 -4.69 105.19 113.82 1sgx n GLY 495 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1sgx n GLY 495 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgx s LYS 496 N 0.00 3.46 0.73 1.61 1.02 -0.19 -4.80 119.74 121.57 1sgx s LYS 496 Ca 0.00 -0.53 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 1sgx s LYS 496 Cb 0.00 -2.91 0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1sgx s LYS 496 CO 0.00 0.47 1.07 -1.83 -0.92 0.00 0.00 175.35 174.14 1sgx s GLU 497 N -3.35 2.63 -0.23 1.68 -1.05 -1.26 -4.51 118.70 112.60 1sgx s GLU 497 Ca 0.36 1.04 -0.13 0.00 -0.15 0.00 0.00 54.97 56.10 1sgx s GLU 497 Cb -0.11 -1.95 -0.05 0.00 -0.44 0.00 0.00 34.13 31.59 1sgx s GLU 497 CO 0.29 -1.35 0.26 0.08 0.95 0.00 0.00 175.26 175.49 1sgx s VAL 498 N -2.98 5.29 -0.16 1.83 1.01 0.21 -4.81 120.40 120.78 1sgx s VAL 498 Ca 0.59 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.97 1sgx s VAL 498 Cb -0.15 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1sgx s VAL 498 CO 0.55 0.29 -0.17 0.20 0.00 0.00 0.00 175.10 175.98 1sgx s ASN 499 N 1.15 2.85 0.26 3.32 0.01 -1.26 -0.91 114.94 120.37 1sgx s ASN 499 Ca 0.12 -0.55 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 1sgx s ASN 499 Cb -0.14 -1.30 -0.05 0.00 0.41 0.00 0.00 41.25 40.17 1sgx s ASN 499 CO 0.07 -0.03 0.11 -0.76 -1.51 0.00 0.00 177.10 174.98 1sgx s LEU 500 N 1.36 1.59 -0.05 0.60 1.43 -0.07 -0.71 118.68 122.83 1sgx s LEU 500 Ca 0.04 -1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 51.70 1sgx s LEU 500 Cb -0.13 0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.21 1sgx s LEU 500 CO -0.11 -0.77 0.11 0.68 0.23 0.00 0.00 176.35 176.50 1sgx s VAL 501 N -3.77 -0.03 -0.31 -1.59 -7.23 -0.12 -0.49 120.40 106.86 1sgx s VAL 501 Ca 0.37 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.49 1sgx s VAL 501 Cb 0.07 -0.19 -0.01 0.00 0.56 0.00 0.00 36.38 36.81 1sgx s VAL 501 CO 0.14 0.05 0.52 -0.22 -0.31 0.00 0.00 175.10 175.28 1sgx s LEU 502 N 0.79 4.20 -0.28 1.32 2.96 -0.36 -1.19 118.68 126.13 1sgx s LEU 502 Ca -0.06 0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 1sgx s LEU 502 Cb -0.08 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1sgx s LEU 502 CO -0.04 -0.40 0.32 -0.76 -1.32 0.00 0.00 176.35 174.15 1sgx s LEU 503 N 2.37 4.05 -0.03 -0.68 1.43 0.71 -1.43 118.68 125.11 1sgx s LEU 503 Ca 0.20 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 1sgx s LEU 503 Cb -0.15 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 1sgx s LEU 503 CO 0.12 -0.15 -0.26 -0.76 0.23 0.00 0.00 176.35 175.53 1sgx s LEU 504 N 1.97 2.06 -0.02 1.79 1.43 -0.54 -1.23 118.68 124.15 1sgx s LEU 504 Ca 0.12 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1sgx s LEU 504 Cb -0.16 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1sgx s LEU 504 CO 0.10 0.30 -0.04 -0.75 0.23 0.00 0.00 176.35 176.19 1sgx s LYS 505 N -0.51 0.53 -0.33 1.70 2.20 -0.84 -0.34 119.74 122.15 1sgx s LYS 505 Ca 0.07 -0.12 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 1sgx s LYS 505 Cb -0.11 -0.55 -0.02 0.00 -1.51 0.00 0.00 37.83 35.64 1sgx s LYS 505 CO 0.00 0.02 0.41 1.21 -0.36 0.00 0.00 175.35 176.63 1sgx s ASN 506 N 0.37 6.24 0.00 1.43 2.47 -0.66 -2.60 114.94 122.18 1sgx s ASN 506 Ca -0.04 -0.05 0.24 0.00 0.42 0.00 0.00 52.86 53.43 1sgx s ASN 506 Cb -0.08 -2.22 0.53 0.00 -1.45 0.00 0.00 41.25 38.04 1sgx s ASN 506 CO -0.00 -0.34 1.45 0.18 -3.72 0.00 0.00 177.10 174.66 1sgx n LEU 507 N 5.48 2.62 -4.97 3.21 4.77 0.14 0.66 117.00 128.90 1sgx n LEU 507 Ca -0.08 -1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 54.64 1sgx n LEU 507 Cb 0.50 -0.11 0.10 0.00 -2.33 0.00 0.00 43.42 41.57 1sgx n LEU 507 CO 0.41 0.51 0.56 -0.94 -1.33 0.00 0.00 177.39 176.60 1sgx s SER 508 N -1.72 4.45 0.00 -1.43 1.04 -1.26 -4.83 113.70 109.95 1sgx s SER 508 Ca 0.34 -0.14 0.23 0.00 0.48 0.00 0.00 55.95 56.86 1sgx s SER 508 Cb 0.20 -0.33 0.53 0.00 0.10 0.00 0.00 66.02 66.52 1sgx s SER 508 CO 0.30 -1.79 1.45 0.54 0.98 0.00 0.00 173.24 174.72 1sgx n ARG 509 N -2.85 2.19 -4.24 4.02 1.74 -1.26 -4.08 116.66 112.18 1sgx n ARG 509 Ca 0.13 -1.78 -0.23 0.00 -0.77 0.00 0.00 57.85 55.20 1sgx n ARG 509 Cb 0.60 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.51 1sgx n ARG 509 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sgx s ASP 510 N -1.63 4.74 -0.08 0.55 -0.00 -1.26 -4.80 116.67 114.19 1sgx s ASP 510 Ca 0.35 -0.59 -0.27 0.00 -0.00 0.00 0.00 52.55 52.05 1sgx s ASP 510 Cb 0.21 -0.94 -0.02 0.00 -0.00 0.00 0.00 42.92 42.16 1sgx s ASP 510 CO 0.30 -0.03 0.87 -0.89 -0.00 0.00 0.00 175.17 175.41 1sgx s THR 511 N -2.30 4.91 -0.02 -1.27 2.01 -1.26 -4.02 115.64 113.69 1sgx s THR 511 Ca 0.32 1.77 0.04 0.00 0.31 0.00 0.00 61.69 64.13 1sgx s THR 511 Cb -0.06 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 1sgx s THR 511 CO 0.21 0.12 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.60 1sgx s LYS 512 N 1.42 2.46 -0.30 4.92 -0.14 -0.03 -4.95 119.74 123.12 1sgx s LYS 512 Ca 0.44 -0.74 -0.08 0.00 -1.36 0.00 0.00 55.97 54.22 1sgx s LYS 512 Cb -0.18 -2.40 -0.00 0.00 -1.68 0.00 0.00 37.83 33.57 1sgx s LYS 512 CO 0.19 0.61 0.12 0.99 -0.76 0.00 0.00 175.35 176.50 1sgx s THR 513 N -0.85 4.35 -0.22 2.17 2.01 -1.26 -0.17 115.64 121.67 1sgx s THR 513 Ca 0.14 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 1sgx s THR 513 Cb -0.11 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1sgx s THR 513 CO 0.03 0.08 0.08 -0.69 -0.69 0.00 0.00 174.62 173.44 1sgx s VAL 514 N 1.57 4.59 -0.25 3.82 1.01 -0.46 -4.43 120.40 126.25 1sgx s VAL 514 Ca 0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 1sgx s VAL 514 Cb -0.17 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1sgx s VAL 514 CO 0.05 0.38 0.43 -0.89 0.00 0.00 0.00 175.10 175.06 1sgx s THR 515 N 1.13 5.14 -0.15 3.92 2.01 -0.66 -1.35 115.64 125.69 1sgx s THR 515 Ca 0.05 0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.76 1sgx s THR 515 Cb -0.14 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.62 1sgx s THR 515 CO 0.03 0.15 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.27 1sgx s VAL 516 N 1.98 2.63 -0.17 3.82 1.01 0.14 -1.86 120.40 127.94 1sgx s VAL 516 Ca 0.18 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1sgx s VAL 516 Cb -0.16 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1sgx s VAL 516 CO 0.09 0.52 -0.15 0.20 0.00 0.00 0.00 175.10 175.77 1sgx s ASN 517 N 0.70 3.63 0.13 3.32 0.01 -0.37 -0.83 114.94 121.53 1sgx s ASN 517 Ca -0.07 -0.50 0.08 0.00 -0.71 0.00 0.00 52.86 51.66 1sgx s ASN 517 Cb -0.16 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.89 1sgx s ASN 517 CO 0.02 0.04 -0.20 -0.04 -1.51 0.00 0.00 177.10 175.41 1sgx s MET 518 N 1.06 1.20 0.09 -0.60 -1.94 0.34 -0.38 119.30 119.08 1sgx s MET 518 Ca -0.01 -1.28 -0.09 0.00 -1.71 0.00 0.00 55.69 52.61 1sgx s MET 518 Cb -0.14 -1.39 -0.00 0.00 2.01 0.00 0.00 34.83 35.30 1sgx s MET 518 CO -0.04 0.31 0.20 0.95 -0.01 0.00 0.00 175.02 176.43 1sgx s THR 519 N -1.53 0.14 -0.05 2.05 -4.23 -0.63 -1.82 115.64 109.57 1sgx s THR 519 Ca 0.11 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1sgx s THR 519 Cb -0.08 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.41 1sgx s THR 519 CO 0.05 -0.62 0.04 0.00 -0.54 0.00 0.00 174.62 173.55 1sgx s ALA 520 N -3.87 0.37 -0.07 3.99 0.00 0.67 -1.45 121.76 121.41 1sgx s ALA 520 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.16 1sgx s ALA 520 Cb 0.05 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1sgx s ALA 520 CO -0.10 -0.46 -0.21 -1.58 0.00 0.00 0.00 175.76 173.41 1sgx s TRP 521 N 2.05 2.18 0.36 0.00 0.52 -0.07 -0.20 118.94 123.78 1sgx s TRP 521 Ca 0.04 -0.78 -0.26 0.00 0.02 0.00 0.00 56.10 55.12 1sgx s TRP 521 Cb -0.12 -1.47 -0.09 0.00 -1.15 0.00 0.00 33.47 30.64 1sgx s TRP 521 CO -0.04 -0.30 1.06 0.95 0.02 0.00 0.00 176.95 178.64 1sgx s THR 522 N 0.23 3.67 0.26 2.01 -4.23 -0.23 0.11 115.64 117.47 1sgx s THR 522 Ca -0.12 1.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.80 1sgx s THR 522 Cb -0.15 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1sgx s THR 522 CO 0.06 0.11 0.18 0.27 -0.54 0.00 0.00 174.62 174.70 1sgx s ILE 523 N -1.52 0.06 0.10 2.99 -4.36 -0.81 -1.24 121.20 116.42 1sgx s ILE 523 Ca 0.54 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1sgx s ILE 523 Cb -0.25 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1sgx s ILE 523 CO 0.31 0.00 0.25 -0.63 0.24 0.00 0.00 174.94 175.11 1sgx s ILE 524 N -3.83 5.35 0.54 8.37 -1.09 -0.60 -4.41 121.20 125.53 1sgx s ILE 524 Ca 0.39 -0.43 0.32 0.00 -2.23 0.00 0.00 60.65 58.70 1sgx s ILE 524 Cb 0.05 -3.66 0.49 0.00 -1.58 0.00 0.00 42.46 37.75 1sgx s ILE 524 CO 0.18 0.06 1.89 0.10 -1.23 0.00 0.00 174.94 175.94 1sgx h TYR 525 N 2.77 0.00 0.00 3.97 -0.00 -1.93 0.19 116.97 121.97 1sgx h TYR 525 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1sgx h TYR 525 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 1sgx h TYR 525 CO 0.59 0.00 0.00 -2.95 -0.00 0.00 0.00 178.16 175.80 1sgx h ASN 526 N 0.00 0.00 0.00 0.10 -0.00 -1.92 -1.17 115.58 112.59 1sgx h ASN 526 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.73 1sgx h ASN 526 Cb 1.73 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.05 1sgx h ASN 526 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 1sgx n GLY 527 N 0.45 1.17 3.68 9.14 0.00 0.68 -3.89 105.19 116.42 1sgx n GLY 527 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1sgx n GLY 527 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sgx n THR 528 N -0.19 0.29 -2.65 2.61 -1.04 -1.24 -4.11 114.28 107.96 1sgx n THR 528 Ca 0.00 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 1sgx n THR 528 Cb 0.00 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 66.66 1sgx n THR 528 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sgx s LEU 529 N 2.46 4.28 -0.16 -4.42 1.43 -1.26 -1.56 118.68 119.45 1sgx s LEU 529 Ca 0.84 1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 55.40 1sgx s LEU 529 Cb -0.62 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 1sgx s LEU 529 CO 0.42 -0.43 -0.30 0.52 0.23 0.00 0.00 176.35 176.79 1sgx n VAL 530 N 4.41 1.35 -3.58 -1.59 0.31 -0.38 -4.98 118.33 113.86 1sgx n VAL 530 Ca 0.09 0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.47 1sgx n VAL 530 Cb 0.49 -2.27 -0.06 0.00 -0.91 0.00 0.00 33.84 31.09 1sgx n VAL 530 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1sgx s HIS 531 N -2.66 -0.54 0.00 3.52 2.46 -1.18 -4.97 115.29 111.92 1sgx s HIS 531 Ca -0.25 1.09 -0.30 0.00 0.47 0.00 0.00 55.06 56.07 1sgx s HIS 531 Cb 0.03 0.39 -0.04 0.00 -0.13 0.00 0.00 32.58 32.83 1sgx s HIS 531 CO 0.37 -0.40 1.20 -2.00 -2.47 0.00 0.00 174.74 171.43 1sgx s GLU 532 N -0.62 4.40 0.00 2.88 2.12 -1.26 -1.07 118.70 125.15 1sgx s GLU 532 Ca -0.03 1.72 0.03 0.00 0.36 0.00 0.00 54.97 57.05 1sgx s GLU 532 Cb -0.02 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 1sgx s GLU 532 CO 0.02 -0.34 0.32 1.33 -0.54 0.00 0.00 175.26 176.05 1sgx n VAL 533 N 4.26 0.00 -3.60 3.70 0.24 0.72 -4.95 118.33 118.69 1sgx n VAL 533 Ca 0.10 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.85 1sgx n VAL 533 Cb 0.46 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1sgx n VAL 533 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1sgx s TRP 534 N -0.90 -0.39 0.10 6.34 -0.00 -1.15 -4.65 118.94 118.28 1sgx s TRP 534 Ca 0.02 0.79 -0.22 0.00 -0.00 0.00 0.00 56.10 56.69 1sgx s TRP 534 Cb 0.03 0.42 0.06 0.00 -0.00 0.00 0.00 33.47 33.97 1sgx s TRP 534 CO 0.09 -0.29 0.53 -1.59 -0.00 0.00 0.00 176.95 175.70 1sgx s LYS 535 N -0.61 1.13 -0.20 5.86 -2.85 -1.26 -0.24 119.74 121.57 1sgx s LYS 535 Ca 0.00 -0.39 -0.34 0.00 -1.00 0.00 0.00 55.97 54.25 1sgx s LYS 535 Cb -0.02 0.51 0.14 0.00 -2.06 0.00 0.00 37.83 36.41 1sgx s LYS 535 CO -0.02 -0.44 1.21 0.34 0.10 0.00 0.00 175.35 176.54 1sgx s ASP 536 N -2.37 -0.14 0.08 0.03 2.15 -0.75 -4.98 116.67 110.68 1sgx s ASP 536 Ca -0.02 0.04 0.04 0.00 0.43 0.00 0.00 52.55 53.04 1sgx s ASP 536 Cb -0.00 0.14 -0.03 0.00 -0.30 0.00 0.00 42.92 42.73 1sgx s ASP 536 CO -0.07 -0.22 -0.11 -0.44 -0.17 0.00 0.00 175.17 174.17 1sgx s SER 537 N -1.93 1.38 0.16 -0.34 0.01 -1.26 -0.50 113.70 111.22 1sgx s SER 537 Ca 0.08 -0.71 -0.21 0.00 1.31 0.00 0.00 55.95 56.43 1sgx s SER 537 Cb -0.01 -0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.27 1sgx s SER 537 CO -0.05 -0.20 0.55 0.00 0.41 0.00 0.00 173.24 173.95 1sgx s ALA 538 N -1.92 -1.35 -0.09 1.44 0.00 -0.01 -5.00 121.76 114.82 1sgx s ALA 538 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.21 1sgx s ALA 538 Cb -0.06 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1sgx s ALA 538 CO 0.01 -0.76 -0.10 0.99 0.00 0.00 0.00 175.76 175.90 1sgx s THR 539 N -3.79 1.07 -0.10 0.00 2.01 -1.26 0.25 115.64 113.83 1sgx s THR 539 Ca 0.03 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1sgx s THR 539 Cb -0.01 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.48 1sgx s THR 539 CO -0.11 0.36 -0.12 0.00 -0.69 0.00 0.00 174.62 174.07 1sgx s MET 540 N 1.28 1.84 -0.08 4.92 0.23 -0.45 -4.95 119.30 122.09 1sgx s MET 540 Ca -0.03 -0.42 -0.23 0.00 -1.03 0.00 0.00 55.69 53.97 1sgx s MET 540 Cb -0.14 -1.64 -0.04 0.00 -1.53 0.00 0.00 34.83 31.49 1sgx s MET 540 CO -0.04 -0.09 0.70 0.45 -2.03 0.00 0.00 175.02 174.02 1sgx s SER 541 N 1.09 6.98 -0.08 -1.18 0.15 -1.26 -1.36 113.70 118.03 1sgx s SER 541 Ca -0.06 1.18 0.03 0.00 0.70 0.00 0.00 55.95 57.79 1sgx s SER 541 Cb -0.14 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1sgx s SER 541 CO -0.02 -0.13 -0.15 -0.76 1.20 0.00 0.00 173.24 173.37 1sgx s LEU 542 N 0.90 1.76 0.70 3.45 1.43 0.76 -4.99 118.68 122.69 1sgx s LEU 542 Ca 0.37 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.01 1sgx s LEU 542 Cb -0.18 -0.99 0.04 0.00 0.03 0.00 0.00 46.19 45.09 1sgx s LEU 542 CO 0.18 0.06 1.04 -1.81 0.23 0.00 0.00 176.35 176.05 1sgx s ASP 543 N 0.62 5.09 0.12 2.29 1.01 -1.26 -0.85 116.67 123.69 1sgx s ASP 543 Ca -0.15 0.76 -0.36 0.00 0.71 0.00 0.00 52.55 53.51 1sgx s ASP 543 Cb -0.16 -1.49 -0.16 0.00 1.01 0.00 0.00 42.92 42.12 1sgx s ASP 543 CO 0.04 -1.47 1.42 -2.65 0.21 0.00 0.00 175.17 172.72 1sgx n PRO 544 N -2.95 1.51 -0.53 8.23 -0.02 -1.26 -0.99 135.00 139.00 1sgx n PRO 544 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1sgx n PRO 544 Cb 0.59 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1sgx n PRO 544 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1sgx n GLU 545 N 2.79 0.00 -2.16 -0.52 4.07 0.21 -4.97 120.64 120.06 1sgx n GLU 545 Ca 0.18 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.90 1sgx n GLU 545 Cb 0.23 -3.43 -0.00 0.00 -0.06 0.00 0.00 31.44 28.18 1sgx n GLU 545 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1sgx s GLU 546 N -0.41 3.70 -0.20 5.31 2.12 -0.16 -4.72 118.70 124.35 1sgx s GLU 546 Ca 0.00 1.89 0.01 0.00 0.36 0.00 0.00 54.97 57.24 1sgx s GLU 546 Cb 0.00 -2.44 0.04 0.00 0.26 0.00 0.00 34.13 31.98 1sgx s GLU 546 CO 0.00 -0.63 -0.14 -1.21 -0.54 0.00 0.00 175.26 172.74 1sgx s GLU 547 N -2.65 2.36 0.23 4.30 2.02 -1.26 -1.65 118.70 122.05 1sgx s GLU 547 Ca 0.64 -0.88 0.09 0.00 0.02 0.00 0.00 54.97 54.83 1sgx s GLU 547 Cb -0.32 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 1sgx s GLU 547 CO 0.39 -0.37 0.00 0.00 0.02 0.00 0.00 175.26 175.30 1sgx s ALA 548 N 1.33 3.18 -0.05 5.21 0.00 0.54 -4.96 121.76 127.00 1sgx s ALA 548 Ca -0.00 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 50.46 1sgx s ALA 548 Cb -0.16 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1sgx s ALA 548 CO -0.09 0.34 -0.20 -1.21 0.00 0.00 0.00 175.76 174.59 1sgx s GLU 549 N -3.43 2.09 -0.26 0.00 2.02 -1.26 -1.46 118.70 116.40 1sgx s GLU 549 Ca 0.30 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.60 1sgx s GLU 549 Cb -0.07 -1.78 0.07 0.00 0.10 0.00 0.00 34.13 32.44 1sgx s GLU 549 CO 0.19 0.28 -0.06 -1.58 0.02 0.00 0.00 175.26 174.11 1sgx s HIS 550 N 0.01 2.89 0.38 1.61 5.65 -0.52 -4.94 115.29 120.38 1sgx s HIS 550 Ca -0.05 -2.14 -0.28 0.00 0.25 0.00 0.00 55.06 52.85 1sgx s HIS 550 Cb -0.13 -1.88 -0.10 0.00 -1.18 0.00 0.00 32.58 29.29 1sgx s HIS 550 CO 0.03 -0.84 1.42 -2.14 -0.65 0.00 0.00 174.74 172.56 1sgx s PRO 551 N 1.23 4.08 -0.18 2.88 0.02 -1.26 -1.22 135.00 140.55 1sgx s PRO 551 Ca -0.05 2.44 -0.00 0.00 0.02 0.00 0.00 61.00 63.41 1sgx s PRO 551 Cb -0.19 -2.92 0.04 0.00 0.02 0.00 0.00 34.50 31.45 1sgx s PRO 551 CO -0.07 -0.50 -0.06 0.42 -0.33 0.00 0.00 177.00 176.46 1sgx s ILE 552 N -1.15 1.26 -0.12 2.83 1.01 0.36 -4.92 121.20 120.46 1sgx s ILE 552 Ca 0.54 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1sgx s ILE 552 Cb -0.44 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1sgx s ILE 552 CO 0.59 0.11 -0.21 -0.75 0.00 0.00 0.00 174.94 174.67 1sgx s LYS 553 N 1.56 3.09 -0.15 2.79 2.20 -1.26 -0.89 119.74 127.08 1sgx s LYS 553 Ca -0.00 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1sgx s LYS 553 Cb -0.16 -2.41 0.03 0.00 -1.51 0.00 0.00 37.83 33.79 1sgx s LYS 553 CO -0.08 0.10 -0.09 0.42 -0.36 0.00 0.00 175.35 175.34 1sgx s ILE 554 N 0.55 1.29 0.65 5.43 1.01 -0.08 -4.97 121.20 125.07 1sgx s ILE 554 Ca -0.13 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1sgx s ILE 554 Cb -0.17 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1sgx s ILE 554 CO 0.04 0.31 1.05 -0.94 0.00 0.00 0.00 174.94 175.39 1sgx s SER 555 N 1.58 5.75 0.20 3.58 1.04 -1.26 0.63 113.70 125.23 1sgx s SER 555 Ca 0.03 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 57.91 1sgx s SER 555 Cb -0.14 -2.49 0.12 0.00 0.10 0.00 0.00 66.02 63.62 1sgx s SER 555 CO -0.09 -1.19 1.86 0.22 0.98 0.00 0.00 173.24 175.03 1sgx h TYR 556 N -0.40 0.86 -0.67 5.02 3.20 -1.87 -1.64 116.97 121.46 1sgx h TYR 556 Ca -0.44 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.54 1sgx h TYR 556 Cb 1.20 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 1sgx h TYR 556 CO 0.63 0.55 0.44 0.00 -1.64 0.00 0.00 178.16 178.14 1sgx h ALA 557 N 1.24 1.89 -0.01 1.82 0.00 -1.95 0.77 119.26 123.03 1sgx h ALA 557 Ca 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1sgx h ALA 557 Cb -0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1sgx h ALA 557 CO -0.05 -0.03 -0.11 1.96 0.00 0.00 0.00 179.25 181.02 1sgx h GLN 558 N 0.55 0.10 0.00 0.00 4.20 -1.66 -3.39 115.11 114.91 1sgx h GLN 558 Ca 0.30 -0.09 -0.19 0.00 0.06 0.00 0.00 58.65 58.74 1sgx h GLN 558 Cb 0.47 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1sgx h GLN 558 CO -0.10 0.78 -1.24 0.10 -0.67 0.00 0.00 178.83 177.70 1sgx h TYR 559 N -0.56 0.00 -0.93 2.96 -0.00 -1.23 -3.39 116.97 113.83 1sgx h TYR 559 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 58.73 58.82 1sgx h TYR 559 Cb 0.81 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.47 1sgx h TYR 559 CO 0.17 0.73 0.59 1.05 -0.00 0.00 0.00 178.16 180.70 1sgx h GLU 560 N 0.00 0.90 0.00 0.10 -0.00 -1.03 -0.35 114.58 114.20 1sgx h GLU 560 Ca -0.14 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 59.17 1sgx h GLU 560 Cb 1.68 -0.20 -0.00 0.00 -0.00 0.00 0.00 28.75 30.23 1sgx h GLU 560 CO 0.07 0.60 -0.01 -0.09 -0.00 0.00 0.00 179.01 179.58 1sgx h ARG 561 N 0.93 0.00 0.00 1.06 2.43 -1.78 -3.18 114.38 113.83 1sgx h ARG 561 Ca 0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1sgx h ARG 561 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1sgx h ARG 561 CO -0.19 0.01 0.00 0.66 -1.51 0.00 0.00 179.97 178.93 1sgx n TYR 562 N -3.11 0.00 -2.56 2.20 4.02 -0.70 -5.03 117.16 111.98 1sgx n TYR 562 Ca -0.01 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.90 57.41 1sgx n TYR 562 Cb 0.20 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 1sgx n TYR 562 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1sgx s LEU 563 N -0.11 4.39 0.00 7.72 2.96 -0.22 -4.75 118.68 128.67 1sgx s LEU 563 Ca 0.00 1.87 0.04 0.00 -0.22 0.00 0.00 54.13 55.82 1sgx s LEU 563 Cb 0.00 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.19 1sgx s LEU 563 CO 0.00 -0.34 0.61 0.29 -1.32 0.00 0.00 176.35 175.58 1sgx n LYS 564 N 3.71 0.46 0.25 1.98 4.76 -1.26 -4.94 118.16 123.11 1sgx n LYS 564 Ca 0.07 -2.00 0.17 0.00 -2.87 0.00 0.00 58.31 53.68 1sgx n LYS 564 Cb 0.48 -0.29 0.86 0.00 -1.84 0.00 0.00 35.03 34.24 1sgx n LYS 564 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sgx h SER 565 N -0.15 0.00 0.27 4.39 4.64 -1.89 -0.77 113.55 120.04 1sgx h SER 565 Ca -0.20 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1sgx h SER 565 Cb 0.84 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1sgx h SER 565 CO 0.25 0.00 -0.19 0.44 -0.87 0.00 0.00 176.83 176.46 1sgx h ASP 566 N 0.00 0.00 -4.35 4.97 3.32 -1.93 -3.46 116.42 114.97 1sgx h ASP 566 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1sgx h ASP 566 Cb 0.11 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.72 1sgx h ASP 566 CO 0.00 0.19 -0.59 0.59 -1.72 0.00 0.00 179.24 177.71 1sgx n ASN 567 N -4.08 -6.04 -4.41 6.45 5.03 -0.30 -4.79 115.26 107.13 1sgx n ASN 567 Ca -0.02 -0.28 -0.30 0.00 0.87 0.00 0.00 54.58 54.85 1sgx n ASN 567 Cb 0.27 -4.85 -0.13 0.00 -1.02 0.00 0.00 39.78 34.04 1sgx n ASN 567 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1sgx s MET 568 N -5.67 1.81 -0.03 3.52 -1.94 -1.26 -0.58 119.30 115.15 1sgx s MET 568 Ca 0.30 -1.13 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 1sgx s MET 568 Cb -0.13 -2.05 0.01 0.00 2.01 0.00 0.00 34.83 34.67 1sgx s MET 568 CO 0.37 0.50 -0.05 0.42 -0.01 0.00 0.00 175.02 176.26 1sgx s ILE 569 N -0.94 0.47 -0.29 2.53 1.01 -0.93 -1.92 121.20 121.13 1sgx s ILE 569 Ca 0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.49 1sgx s ILE 569 Cb -0.10 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 1sgx s ILE 569 CO 0.05 0.18 0.34 -0.60 0.00 0.00 0.00 174.94 174.91 1sgx s ARG 570 N 0.50 3.91 -0.15 2.79 6.06 0.30 -1.19 118.95 131.16 1sgx s ARG 570 Ca -0.06 -0.12 -0.05 0.00 -2.50 0.00 0.00 55.73 53.01 1sgx s ARG 570 Cb -0.10 -3.69 -0.03 0.00 0.06 0.00 0.00 34.95 31.19 1sgx s ARG 570 CO -0.00 -0.31 -0.00 0.42 -2.50 0.00 0.00 175.30 172.90 1sgx s ILE 571 N 2.01 4.23 0.00 4.11 -1.09 0.09 -0.90 121.20 129.66 1sgx s ILE 571 Ca 0.13 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 1sgx s ILE 571 Cb -0.16 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 1sgx s ILE 571 CO 0.11 0.50 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.36 1sgx s THR 572 N 0.19 0.45 -0.15 2.92 2.01 -0.53 -2.04 115.64 118.51 1sgx s THR 572 Ca 0.00 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1sgx s THR 572 Cb -0.13 -0.41 0.05 0.00 0.01 0.00 0.00 72.50 72.02 1sgx s THR 572 CO 0.02 0.05 0.02 0.00 -0.69 0.00 0.00 174.62 174.02 1sgx s ALA 573 N -0.32 0.86 -0.34 7.40 0.00 -0.28 -1.60 121.76 127.49 1sgx s ALA 573 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 1sgx s ALA 573 Cb -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 1sgx s ALA 573 CO -0.00 -0.89 0.23 0.08 0.00 0.00 0.00 175.76 175.17 1sgx s VAL 574 N 1.92 5.17 0.11 0.00 1.01 0.49 -0.86 120.40 128.25 1sgx s VAL 574 Ca 0.02 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1sgx s VAL 574 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1sgx s VAL 574 CO -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 175.10 174.86 1sgx s LYS 576 N -2.12 0.83 0.18 0.00 2.20 -0.78 0.37 119.74 120.42 1sgx s LYS 576 Ca 0.18 0.74 0.10 0.00 -0.36 0.00 0.00 55.97 56.63 1sgx s LYS 576 Cb -0.11 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 1sgx s LYS 576 CO 0.10 -0.14 -0.14 0.14 -0.36 0.00 0.00 175.35 174.95 1sgx s VAL 577 N -0.02 2.94 0.25 4.02 -7.23 -1.26 -1.65 120.40 117.45 1sgx s VAL 577 Ca -0.03 -1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 1sgx s VAL 577 Cb -0.04 -2.44 -0.15 0.00 0.56 0.00 0.00 36.38 34.32 1sgx s VAL 577 CO 0.03 -0.10 1.04 -2.65 -0.31 0.00 0.00 175.10 173.11 1sgx n PRO 578 N 0.15 1.23 -1.80 4.82 -0.02 -1.26 -2.22 135.00 135.90 1sgx n PRO 578 Ca -0.12 0.43 -0.21 0.00 -2.02 0.00 0.00 63.50 61.59 1sgx n PRO 578 Cb 0.55 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.13 1sgx n PRO 578 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sgx n ASP 579 N 1.54 -5.62 -4.08 2.55 2.03 -1.26 -4.98 116.55 106.73 1sgx n ASP 579 Ca 0.12 0.38 -0.15 0.00 0.52 0.00 0.00 54.79 55.67 1sgx n ASP 579 Cb 0.29 -4.88 -0.12 0.00 -0.72 0.00 0.00 41.12 35.70 1sgx n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1sgx s GLU 580 N -4.09 0.59 0.81 -0.67 2.02 -0.94 -5.14 118.70 111.27 1sgx s GLU 580 Ca 0.00 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 54.12 1sgx s GLU 580 Cb 0.00 -0.43 0.08 0.00 0.10 0.00 0.00 34.13 33.89 1sgx s GLU 580 CO 0.00 0.09 1.16 -1.12 0.02 0.00 0.00 175.26 175.41 1sgx s SER 581 N -1.46 3.77 0.65 -0.19 0.01 -1.26 -4.48 113.70 110.74 1sgx s SER 581 Ca -0.07 2.20 -0.17 0.00 1.31 0.00 0.00 55.95 59.22 1sgx s SER 581 Cb -0.09 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.57 1sgx s SER 581 CO 0.01 -2.54 1.23 -1.61 0.41 0.00 0.00 173.24 170.74 1sgx s GLU 582 N -4.36 2.58 -0.23 12.44 8.01 -1.26 -4.70 118.70 131.19 1sgx s GLU 582 Ca 0.69 1.85 -0.01 0.00 0.01 0.00 0.00 54.97 57.51 1sgx s GLU 582 Cb -0.24 -1.88 0.02 0.00 -4.31 0.00 0.00 34.13 27.72 1sgx s GLU 582 CO 0.52 -1.52 -0.10 0.08 0.01 0.00 0.00 175.26 174.25 1sgx s VAL 583 N -1.69 2.70 -0.27 2.63 1.01 0.16 -4.97 120.40 119.97 1sgx s VAL 583 Ca 0.77 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1sgx s VAL 583 Cb -0.32 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1sgx s VAL 583 CO 0.39 0.31 0.23 -0.69 0.00 0.00 0.00 175.10 175.34 1sgx s VAL 584 N 1.33 5.28 -0.20 2.92 1.01 -1.26 -0.75 120.40 128.72 1sgx s VAL 584 Ca 0.02 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1sgx s VAL 584 Cb -0.16 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1sgx s VAL 584 CO -0.06 0.24 -0.03 -0.69 0.00 0.00 0.00 175.10 174.55 1sgx s VAL 585 N 1.76 3.63 0.15 2.92 1.01 -0.04 -5.00 120.40 124.84 1sgx s VAL 585 Ca 0.09 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1sgx s VAL 585 Cb -0.16 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1sgx s VAL 585 CO 0.10 0.44 -0.20 -1.61 0.00 0.00 0.00 175.10 173.82 1sgx s GLU 586 N 1.12 1.28 -0.30 2.72 2.02 -1.26 -1.12 118.70 123.15 1sgx s GLU 586 Ca 0.02 -1.35 -0.16 0.00 0.02 0.00 0.00 54.97 53.49 1sgx s GLU 586 Cb -0.15 -1.46 0.18 0.00 0.10 0.00 0.00 34.13 32.80 1sgx s GLU 586 CO 0.00 0.31 1.10 0.50 0.02 0.00 0.00 175.26 177.20 1sgx s ARG 587 N -2.49 0.21 -0.19 1.61 3.52 -0.87 -4.77 118.95 115.98 1sgx s ARG 587 Ca 0.14 0.46 -0.12 0.00 -0.13 0.00 0.00 55.73 56.08 1sgx s ARG 587 Cb -0.07 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 1sgx s ARG 587 CO 0.06 -0.06 0.21 -0.51 -0.81 0.00 0.00 175.30 174.19 1sgx s ASP 588 N 1.97 6.30 0.21 -2.12 1.01 -1.26 -0.73 116.67 122.05 1sgx s ASP 588 Ca -0.04 0.34 0.09 0.00 0.71 0.00 0.00 52.55 53.65 1sgx s ASP 588 Cb -0.04 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 1sgx s ASP 588 CO -0.16 0.13 -0.04 0.27 0.21 0.00 0.00 175.17 175.58 1sgx s ILE 589 N 0.51 3.40 -0.12 0.77 -4.36 -0.34 -4.97 121.20 116.09 1sgx s ILE 589 Ca 0.12 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 1sgx s ILE 589 Cb -0.12 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 40.86 1sgx s ILE 589 CO 0.01 -0.22 -0.18 -0.63 0.24 0.00 0.00 174.94 174.16 1sgx s ILE 590 N -1.97 1.76 -0.17 8.37 1.01 -1.26 -2.20 121.20 126.73 1sgx s ILE 590 Ca 0.28 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1sgx s ILE 590 Cb -0.08 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1sgx s ILE 590 CO 0.18 0.49 0.36 -0.76 0.00 0.00 0.00 174.94 175.21 1sgx s LEU 591 N 0.88 4.21 0.45 2.97 1.02 0.25 -4.82 118.68 123.64 1sgx s LEU 591 Ca -0.07 0.54 -0.23 0.00 0.02 0.00 0.00 54.13 54.38 1sgx s LEU 591 Cb -0.15 -2.46 -0.08 0.00 0.02 0.00 0.00 46.19 43.52 1sgx s LEU 591 CO -0.01 0.01 1.15 -1.81 0.02 0.00 0.00 176.35 175.72 1sgx s ASP 592 N 0.74 6.27 0.58 2.29 1.01 -0.29 -4.57 116.67 122.69 1sgx s ASP 592 Ca 0.19 2.28 -0.11 0.00 0.71 0.00 0.00 52.55 55.62 1sgx s ASP 592 Cb -0.14 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1sgx s ASP 592 CO 0.06 -0.85 0.97 0.20 0.21 0.00 0.00 175.17 175.77 1sgx s ASN 593 N -1.36 6.29 0.93 0.27 0.01 -1.26 -0.87 114.94 118.95 1sgx s ASN 593 Ca 0.62 1.34 -0.11 0.00 -0.71 0.00 0.00 52.86 54.01 1sgx s ASN 593 Cb -0.28 -2.43 0.15 0.00 0.41 0.00 0.00 41.25 39.10 1sgx s ASN 593 CO 0.34 -0.77 1.10 -2.16 -1.51 0.00 0.00 177.10 174.10 1sgx s PRO 594 N -4.93 0.93 0.26 -0.60 0.04 -1.26 -4.88 135.00 124.56 1sgx s PRO 594 Ca 0.54 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1sgx s PRO 594 Cb -0.11 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 1sgx s PRO 594 CO 0.49 -2.56 1.22 0.99 0.04 0.00 0.00 177.00 177.18 1sgx s THR 595 N -2.74 3.21 -0.16 1.26 2.01 -1.26 -4.94 115.64 113.02 1sgx s THR 595 Ca 0.65 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1sgx s THR 595 Cb -0.21 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1sgx s THR 595 CO 0.59 0.23 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.37 1sgx s LEU 596 N -1.07 2.43 -0.03 4.42 2.96 -1.26 -4.39 118.68 121.73 1sgx s LEU 596 Ca 0.50 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1sgx s LEU 596 Cb -0.35 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1sgx s LEU 596 CO 0.43 0.07 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.42 1sgx s THR 597 N 0.93 2.40 -0.07 3.68 2.01 -0.07 -4.67 115.64 119.84 1sgx s THR 597 Ca -0.03 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.04 1sgx s THR 597 Cb -0.15 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1sgx s THR 597 CO -0.02 0.58 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.51 1sgx s LEU 598 N -0.60 2.26 -0.02 4.42 1.43 -1.26 -0.09 118.68 124.82 1sgx s LEU 598 Ca 0.09 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1sgx s LEU 598 Cb -0.11 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1sgx s LEU 598 CO -0.00 0.24 -0.03 -1.61 0.23 0.00 0.00 176.35 175.18 1sgx s GLU 599 N -0.11 0.47 -0.12 1.70 2.02 -0.07 -4.96 118.70 117.63 1sgx s GLU 599 Ca -0.04 -0.06 -0.15 0.00 0.02 0.00 0.00 54.97 54.74 1sgx s GLU 599 Cb -0.14 -0.53 -0.05 0.00 0.10 0.00 0.00 34.13 33.51 1sgx s GLU 599 CO 0.04 -0.03 0.35 0.08 0.02 0.00 0.00 175.26 175.72 1sgx s VAL 600 N 0.58 5.24 -1.28 2.63 1.01 -1.26 -0.82 120.40 126.49 1sgx s VAL 600 Ca -0.06 0.68 0.19 0.00 0.00 0.00 0.00 61.98 62.79 1sgx s VAL 600 Cb -0.10 -3.68 0.73 0.00 0.00 0.00 0.00 36.38 33.33 1sgx s VAL 600 CO -0.01 0.42 1.63 0.18 0.00 0.00 0.00 175.10 177.33 1sgx n LEU 601 N 3.18 4.72 -3.74 3.92 4.77 0.61 -4.98 117.00 125.48 1sgx n LEU 601 Ca -0.12 -2.38 -0.03 0.00 -0.03 0.00 0.00 56.01 53.46 1sgx n LEU 601 Cb 0.52 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1sgx n LEU 601 CO 0.40 0.84 0.78 0.54 -1.33 0.00 0.00 177.39 178.62 1sgx s ASN 602 N -0.91 -0.15 0.29 -1.43 4.22 -1.26 -4.93 114.94 110.77 1sgx s ASN 602 Ca 0.52 -0.37 -0.29 0.00 -2.14 0.00 0.00 52.86 50.57 1sgx s ASN 602 Cb 0.32 0.44 -0.10 0.00 1.28 0.00 0.00 41.25 43.19 1sgx s ASN 602 CO 0.26 -0.81 1.34 -0.70 -2.04 0.00 0.00 177.10 175.15 1sgx s GLU 603 N -3.12 4.35 -0.19 3.55 2.12 -1.26 -4.89 118.70 119.25 1sgx s GLU 603 Ca 0.13 2.20 -0.10 0.00 0.36 0.00 0.00 54.97 57.56 1sgx s GLU 603 Cb -0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 1sgx s GLU 603 CO 0.01 -0.25 0.15 0.00 -0.54 0.00 0.00 175.26 174.64 1sgx s ALA 604 N -0.65 3.68 0.04 6.30 0.00 -1.26 -4.94 121.76 124.93 1sgx s ALA 604 Ca 0.53 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1sgx s ALA 604 Cb -0.40 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1sgx s ALA 604 CO 0.48 0.17 -0.05 1.03 0.00 0.00 0.00 175.76 177.39 1sgx s ARG 605 N 0.32 0.45 0.38 0.00 0.52 -1.26 -0.46 118.95 118.90 1sgx s ARG 605 Ca 0.09 -0.76 -0.27 0.00 -0.52 0.00 0.00 55.73 54.28 1sgx s ARG 605 Cb -0.11 -0.04 -0.11 0.00 0.52 0.00 0.00 34.95 35.20 1sgx s ARG 605 CO -0.01 -0.02 1.28 1.33 0.02 0.00 0.00 175.30 177.90 1sgx n VAL 606 N 1.33 2.28 -1.02 3.52 0.24 -0.11 -2.21 118.33 122.36 1sgx n VAL 606 Ca -0.22 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.34 61.54 1sgx n VAL 606 Cb 0.56 -1.57 -0.02 0.00 -1.47 0.00 0.00 33.84 31.34 1sgx n VAL 606 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1sgx n ARG 607 N 0.29 -1.85 -4.94 7.34 1.74 0.85 -4.95 116.66 115.15 1sgx n ARG 607 Ca 0.06 0.58 -0.33 0.00 -0.77 0.00 0.00 57.85 57.39 1sgx n ARG 607 Cb 0.38 -4.82 -0.14 0.00 -1.02 0.00 0.00 32.46 26.86 1sgx n ARG 607 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1sgx s LYS 608 N -2.15 2.65 0.28 5.56 -0.14 -0.94 -4.97 119.74 120.04 1sgx s LYS 608 Ca 0.00 -0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 53.57 1sgx s LYS 608 Cb 0.00 -2.38 -0.12 0.00 -1.68 0.00 0.00 37.83 33.65 1sgx s LYS 608 CO 0.00 0.51 1.53 -2.30 -0.76 0.00 0.00 175.35 174.34 1sgx n PRO 609 N 2.62 2.50 -4.13 -1.68 -0.02 -1.26 -4.18 135.00 128.85 1sgx n PRO 609 Ca -0.17 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 1sgx n PRO 609 Cb 0.52 -2.63 -0.16 0.00 -0.02 0.00 0.00 33.50 31.21 1sgx n PRO 609 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sgx s VAL 610 N -0.06 2.19 -0.13 -1.45 1.01 0.27 -4.91 120.40 117.32 1sgx s VAL 610 Ca 0.65 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1sgx s VAL 610 Cb -0.54 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1sgx s VAL 610 CO 0.49 0.53 1.04 0.20 0.00 0.00 0.00 175.10 177.36 1sgx s ASN 611 N 1.28 7.19 0.31 3.32 -0.87 -1.26 -1.43 114.94 123.47 1sgx s ASN 611 Ca 0.04 1.53 0.09 0.00 -1.57 0.00 0.00 52.86 52.95 1sgx s ASN 611 Cb -0.13 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.25 38.48 1sgx s ASN 611 CO -0.11 -0.51 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.12 1sgx s VAL 612 N 2.31 2.01 -0.15 1.60 1.01 -0.42 -0.29 120.40 126.47 1sgx s VAL 612 Ca 0.48 -2.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.17 1sgx s VAL 612 Cb -0.18 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.73 1sgx s VAL 612 CO 0.16 -0.27 0.36 -1.58 0.00 0.00 0.00 175.10 173.77 1sgx s GLN 613 N -3.65 0.37 -0.15 2.72 0.74 -0.00 -2.47 119.66 117.21 1sgx s GLN 613 Ca 0.31 0.64 -0.06 0.00 0.05 0.00 0.00 55.36 56.30 1sgx s GLN 613 Cb 0.02 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 1sgx s GLN 613 CO 0.14 -0.12 0.04 1.41 -0.55 0.00 0.00 175.29 176.21 1sgx s MET 614 N 0.96 3.67 -0.07 1.67 -2.45 -0.03 -0.90 119.30 122.15 1sgx s MET 614 Ca -0.06 -0.36 0.03 0.00 -1.25 0.00 0.00 55.69 54.05 1sgx s MET 614 Cb -0.07 -3.07 0.00 0.00 1.25 0.00 0.00 34.83 32.94 1sgx s MET 614 CO -0.07 0.41 -0.17 -0.51 1.05 0.00 0.00 175.02 175.73 1sgx s LEU 615 N -0.04 1.85 -0.10 4.11 1.43 0.87 -1.35 118.68 125.45 1sgx s LEU 615 Ca 0.05 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1sgx s LEU 615 Cb -0.12 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.10 1sgx s LEU 615 CO 0.01 0.10 0.23 0.12 0.23 0.00 0.00 176.35 177.05 1sgx s PHE 616 N 0.40 -0.29 -0.12 0.29 5.36 -0.77 -0.90 117.98 121.95 1sgx s PHE 616 Ca -0.13 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.56 1sgx s PHE 616 Cb -0.15 0.05 -0.01 0.00 -0.34 0.00 0.00 43.02 42.57 1sgx s PHE 616 CO 0.05 -0.19 -0.17 -1.12 -1.46 0.00 0.00 175.22 172.33 1sgx s SER 617 N 0.88 3.67 -0.48 6.13 0.01 -1.26 -0.18 113.70 122.46 1sgx s SER 617 Ca -0.06 -0.42 -0.28 0.00 1.31 0.00 0.00 55.95 56.50 1sgx s SER 617 Cb -0.08 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.65 1sgx s SER 617 CO -0.05 0.16 1.09 0.21 0.41 0.00 0.00 173.24 175.05 1sgx s ASN 618 N 0.36 6.59 0.24 2.44 2.47 -0.48 -4.85 114.94 121.71 1sgx s ASN 618 Ca -0.14 0.36 0.25 0.00 0.42 0.00 0.00 52.86 53.75 1sgx s ASN 618 Cb -0.17 -2.52 0.90 0.00 -1.45 0.00 0.00 41.25 38.01 1sgx s ASN 618 CO 0.07 -1.21 1.75 -0.81 -3.72 0.00 0.00 177.10 173.17 1sgx n PRO 619 N 7.70 0.23 -1.67 0.43 -0.04 -1.26 -1.16 135.00 139.23 1sgx n PRO 619 Ca 0.10 0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 63.58 1sgx n PRO 619 Cb 0.49 -1.85 0.06 0.00 -0.04 0.00 0.00 33.50 32.16 1sgx n PRO 619 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sgx s LEU 620 N -4.55 2.85 0.00 1.53 1.43 -1.26 -4.73 118.68 113.95 1sgx s LEU 620 Ca 0.07 1.34 0.23 0.00 -1.03 0.00 0.00 54.13 54.74 1sgx s LEU 620 Cb 0.11 -4.09 0.72 0.00 0.03 0.00 0.00 46.19 42.95 1sgx s LEU 620 CO 0.50 -1.60 1.55 0.47 0.23 0.00 0.00 176.35 177.50 1sgx n ASP 621 N -3.20 2.03 -4.40 2.29 8.00 -1.26 -2.40 116.55 117.61 1sgx n ASP 621 Ca 0.07 -1.73 -0.24 0.00 0.71 0.00 0.00 54.79 53.60 1sgx n ASP 621 Cb 0.56 -0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 1sgx n ASP 621 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1sgx s GLU 622 N -1.82 1.46 0.78 -1.24 -1.05 -1.26 -4.77 118.70 110.80 1sgx s GLU 622 Ca 0.34 -1.54 -0.12 0.00 -0.15 0.00 0.00 54.97 53.51 1sgx s GLU 622 Cb 0.19 -1.63 0.06 0.00 -0.44 0.00 0.00 34.13 32.31 1sgx s GLU 622 CO 0.29 0.33 1.12 -1.25 0.95 0.00 0.00 175.26 176.70 1sgx s PRO 623 N -2.92 2.21 -0.08 -4.83 0.04 -1.26 -4.15 135.00 124.01 1sgx s PRO 623 Ca 0.21 0.45 0.04 0.00 0.04 0.00 0.00 61.00 61.74 1sgx s PRO 623 Cb -0.06 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1sgx s PRO 623 CO 0.10 -1.49 -0.21 0.14 0.04 0.00 0.00 177.00 175.58 1sgx s VAL 624 N -3.31 2.42 0.52 -0.36 -7.23 -0.59 -4.91 120.40 106.94 1sgx s VAL 624 Ca 0.60 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 1sgx s VAL 624 Cb -0.13 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 1sgx s VAL 624 CO 0.52 0.56 0.01 -0.13 -0.31 0.00 0.00 175.10 175.75 1sgx s ARG 625 N -0.04 2.23 -1.58 4.82 0.52 -1.26 -1.77 118.95 121.87 1sgx s ARG 625 Ca -0.06 -2.43 -0.15 0.00 -0.52 0.00 0.00 55.73 52.57 1sgx s ARG 625 Cb -0.15 -1.53 0.10 0.00 0.52 0.00 0.00 34.95 33.90 1sgx s ARG 625 CO 0.05 -0.41 0.91 -0.25 0.02 0.00 0.00 175.30 175.63 1sgx n ASP 626 N -1.31 -4.23 -4.70 0.23 8.00 -1.26 -0.90 116.55 112.38 1sgx n ASP 626 Ca -0.21 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 1sgx n ASP 626 Cb 0.67 -3.55 -0.03 0.00 -0.02 0.00 0.00 41.12 38.19 1sgx n ASP 626 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sgx s VAL 628 N 1.80 0.48 -0.17 0.00 1.01 0.70 -1.14 120.40 123.08 1sgx s VAL 628 Ca 0.58 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1sgx s VAL 628 Cb -0.28 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1sgx s VAL 628 CO 0.25 0.18 -0.04 -0.22 0.00 0.00 0.00 175.10 175.27 1sgx s LEU 629 N 0.48 3.16 -0.14 3.92 0.20 0.23 -1.24 118.68 125.28 1sgx s LEU 629 Ca -0.06 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.59 1sgx s LEU 629 Cb -0.09 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.91 1sgx s LEU 629 CO -0.00 0.13 -0.21 -0.04 -0.29 0.00 0.00 176.35 175.94 1sgx s MET 630 N 0.60 2.96 -0.02 1.98 -1.94 0.35 -0.75 119.30 122.47 1sgx s MET 630 Ca -0.03 -0.83 0.03 0.00 -1.71 0.00 0.00 55.69 53.15 1sgx s MET 630 Cb -0.14 -2.42 -0.00 0.00 2.01 0.00 0.00 34.83 34.28 1sgx s MET 630 CO 0.03 -0.05 -0.10 0.08 -0.01 0.00 0.00 175.02 174.96 1sgx s VAL 631 N 0.91 0.87 0.26 -6.03 1.01 -0.16 -0.14 120.40 117.11 1sgx s VAL 631 Ca -0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1sgx s VAL 631 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1sgx s VAL 631 CO -0.04 0.26 0.61 -1.83 0.00 0.00 0.00 175.10 174.10 1sgx s GLU 632 N -0.01 1.65 0.00 2.72 -1.05 -0.54 -0.00 118.70 121.47 1sgx s GLU 632 Ca -0.00 -1.07 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 1sgx s GLU 632 Cb -0.07 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1sgx s GLU 632 CO 0.00 -0.73 0.00 0.41 0.95 0.00 0.00 175.26 175.89 1sgx n GLY 633 N -0.42 1.20 3.69 -3.83 0.00 -1.26 -0.83 105.19 103.73 1sgx n GLY 633 Ca -0.04 0.52 -0.45 0.00 0.00 0.00 0.00 46.02 46.05 1sgx n GLY 633 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sgx n SER 634 N 0.00 3.24 0.00 1.61 7.64 -1.26 -1.27 113.62 123.58 1sgx n SER 634 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1sgx n SER 634 Cb 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 1sgx n SER 634 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgx n GLY 635 N 3.01 2.12 0.09 0.23 0.00 -1.26 -4.64 105.19 104.73 1sgx n GLY 635 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1sgx n GLY 635 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sgx n LEU 636 N 0.00 2.39 -3.56 0.99 4.77 -0.39 -0.75 117.00 120.45 1sgx n LEU 636 Ca 0.00 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1sgx n LEU 636 Cb 0.00 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1sgx n LEU 636 CO 0.00 0.71 0.32 -1.48 -1.33 0.00 0.00 177.39 175.61 1sgx s LEU 637 N -5.84 -0.22 -0.28 2.23 2.34 -1.05 -2.49 118.68 113.38 1sgx s LEU 637 Ca -0.21 0.29 -0.28 0.00 0.06 0.00 0.00 54.13 54.00 1sgx s LEU 637 Cb 0.06 2.23 0.01 0.00 -0.56 0.00 0.00 46.19 47.93 1sgx s LEU 637 CO 0.44 -0.70 0.99 -0.76 -1.06 0.00 0.00 176.35 175.26 1sgx s LEU 638 N -1.82 4.03 0.00 1.48 1.43 -1.26 -4.55 118.68 118.00 1sgx s LEU 638 Ca -0.07 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1sgx s LEU 638 Cb -0.01 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1sgx s LEU 638 CO 0.00 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1sgx n GLY 639 N 3.70 0.23 3.58 -3.19 0.00 -1.26 -4.78 105.19 103.47 1sgx n GLY 639 Ca 0.10 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1sgx n GLY 639 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sgx s ASN 640 N -4.00 5.26 -0.19 1.61 2.47 -1.26 -4.48 114.94 114.35 1sgx s ASN 640 Ca 0.00 -0.01 -0.16 0.00 0.42 0.00 0.00 52.86 53.11 1sgx s ASN 640 Cb 0.00 -1.88 -0.04 0.00 -1.45 0.00 0.00 41.25 37.89 1sgx s ASN 640 CO 0.00 0.18 0.42 -0.22 -3.72 0.00 0.00 177.10 173.76 1sgx s LEU 641 N 0.33 4.18 -0.17 3.21 0.20 0.99 -4.92 118.68 122.50 1sgx s LEU 641 Ca 0.00 0.58 -0.01 0.00 0.69 0.00 0.00 54.13 55.39 1sgx s LEU 641 Cb -0.13 -2.56 -0.01 0.00 -0.43 0.00 0.00 46.19 43.06 1sgx s LEU 641 CO 0.01 -0.07 -0.11 -0.75 -0.29 0.00 0.00 176.35 175.14 1sgx s LYS 642 N 1.22 3.34 -0.09 1.98 2.20 -1.26 -0.99 119.74 126.14 1sgx s LYS 642 Ca 0.21 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1sgx s LYS 642 Cb -0.15 -2.77 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1sgx s LYS 642 CO 0.08 0.01 -0.12 0.42 -0.36 0.00 0.00 175.35 175.38 1sgx s ILE 643 N 0.89 1.23 -0.10 5.43 1.01 0.07 -4.99 121.20 124.75 1sgx s ILE 643 Ca -0.03 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 59.88 1sgx s ILE 643 Cb -0.15 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1sgx s ILE 643 CO -0.00 0.39 0.84 -1.81 0.00 0.00 0.00 174.94 174.36 1sgx s ASP 644 N 1.06 7.08 -0.11 3.58 -0.00 -1.26 -0.60 116.67 126.41 1sgx s ASP 644 Ca -0.06 1.31 -0.01 0.00 -0.00 0.00 0.00 52.55 53.79 1sgx s ASP 644 Cb -0.15 -2.48 -0.03 0.00 -0.00 0.00 0.00 42.92 40.27 1sgx s ASP 644 CO -0.01 -0.29 -0.05 -0.69 -0.00 0.00 0.00 175.17 174.13 1sgx s VAL 645 N 1.49 3.86 0.83 -1.27 1.01 -0.29 -4.97 120.40 121.05 1sgx s VAL 645 Ca 0.42 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1sgx s VAL 645 Cb -0.18 -2.63 0.09 0.00 0.00 0.00 0.00 36.38 33.66 1sgx s VAL 645 CO 0.18 0.55 1.18 -2.84 0.00 0.00 0.00 175.10 174.17 1sgx s PRO 646 N -0.31 1.55 0.18 2.72 0.02 -1.26 -3.91 135.00 133.99 1sgx s PRO 646 Ca 0.05 1.66 -0.33 0.00 0.02 0.00 0.00 61.00 62.39 1sgx s PRO 646 Cb -0.12 -1.78 -0.15 0.00 0.02 0.00 0.00 34.50 32.47 1sgx s PRO 646 CO 0.02 -2.26 1.36 2.41 -0.33 0.00 0.00 177.00 178.20 1sgx n THR 647 N -3.52 0.57 -3.73 0.99 -1.04 -1.26 -4.83 114.28 101.45 1sgx n THR 647 Ca 0.13 -0.14 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 1sgx n THR 647 Cb 0.51 -1.18 -0.12 0.00 -1.82 0.00 0.00 70.33 67.72 1sgx n THR 647 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1sgx s LEU 648 N 0.49 3.72 1.15 -4.42 2.96 -0.73 -4.97 118.68 116.88 1sgx s LEU 648 Ca 0.75 -0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 54.12 1sgx s LEU 648 Cb -0.77 -1.94 0.27 0.00 0.50 0.00 0.00 46.19 44.26 1sgx s LEU 648 CO 0.47 -0.12 1.04 -0.83 -1.32 0.00 0.00 176.35 175.60 1sgx s GLY 649 N 1.59 1.54 0.18 7.98 0.00 -1.26 -1.54 107.32 115.81 1sgx s GLY 649 Ca 0.05 -0.24 -0.33 0.00 0.00 0.00 0.00 44.72 44.20 1sgx s GLY 649 CO 0.04 0.48 1.63 -1.05 0.00 0.00 0.00 173.10 174.20 1sgx n PRO 650 N -4.80 2.40 -1.71 2.90 -0.02 -1.26 -2.24 135.00 130.27 1sgx n PRO 650 Ca 0.03 0.86 -0.15 0.00 -2.02 0.00 0.00 63.50 62.23 1sgx n PRO 650 Cb 0.55 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 1sgx n PRO 650 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sgx n LYS 651 N 3.57 -1.53 -3.00 -0.52 5.02 -0.31 -4.96 118.16 116.43 1sgx n LYS 651 Ca 0.16 0.84 -0.18 0.00 -2.02 0.00 0.00 58.31 57.12 1sgx n LYS 651 Cb 0.31 -5.22 0.01 0.00 -0.02 0.00 0.00 35.03 30.12 1sgx n LYS 651 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sgx s GLU 652 N -3.76 2.82 0.04 1.97 2.02 -0.95 -4.81 118.70 116.03 1sgx s GLU 652 Ca 0.00 -1.18 0.08 0.00 0.02 0.00 0.00 54.97 53.90 1sgx s GLU 652 Cb 0.00 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 1sgx s GLU 652 CO 0.00 -0.29 -0.24 0.50 0.02 0.00 0.00 175.26 175.25 1sgx s ARG 653 N -4.38 1.63 -0.15 1.61 3.52 -1.26 -1.39 118.95 118.53 1sgx s ARG 653 Ca 0.55 -1.02 -0.03 0.00 -0.13 0.00 0.00 55.73 55.09 1sgx s ARG 653 Cb -0.10 -1.77 -0.02 0.00 -1.56 0.00 0.00 34.95 31.50 1sgx s ARG 653 CO 0.33 0.46 -0.06 0.45 -0.81 0.00 0.00 175.30 175.68 1sgx s SER 654 N -1.17 4.63 -0.20 -2.12 0.15 0.75 -4.99 113.70 110.76 1sgx s SER 654 Ca 0.10 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.58 1sgx s SER 654 Cb -0.09 -1.75 0.04 0.00 -1.71 0.00 0.00 66.02 62.51 1sgx s SER 654 CO 0.02 0.16 -0.09 -0.60 1.20 0.00 0.00 173.24 173.93 1sgx s ARG 655 N 0.40 1.89 -0.15 5.44 3.52 -1.26 -1.85 118.95 126.93 1sgx s ARG 655 Ca -0.05 -0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 54.75 1sgx s ARG 655 Cb -0.15 -2.36 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 1sgx s ARG 655 CO 0.03 -0.44 -0.12 0.08 -0.81 0.00 0.00 175.30 174.04 1sgx s VAL 656 N 1.44 3.04 -0.14 7.11 1.01 -0.46 -4.96 120.40 127.44 1sgx s VAL 656 Ca -0.01 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1sgx s VAL 656 Cb -0.16 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1sgx s VAL 656 CO -0.08 0.51 0.06 -0.13 0.00 0.00 0.00 175.10 175.46 1sgx s ARG 657 N 0.61 3.58 -0.11 2.72 1.81 -1.26 -0.85 118.95 125.45 1sgx s ARG 657 Ca -0.07 -0.32 -0.26 0.00 -1.72 0.00 0.00 55.73 53.37 1sgx s ARG 657 Cb -0.15 -3.09 0.06 0.00 -0.45 0.00 0.00 34.95 31.32 1sgx s ARG 657 CO 0.03 0.50 0.61 -0.59 -0.68 0.00 0.00 175.30 175.18 1sgx s PHE 658 N -0.29 -0.60 0.03 -0.53 -0.12 -1.03 -5.03 117.98 110.40 1sgx s PHE 658 Ca 0.08 1.19 0.01 0.00 -0.05 0.00 0.00 56.93 58.17 1sgx s PHE 658 Cb -0.12 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 1sgx s PHE 658 CO 0.02 -0.49 0.05 -0.51 -0.05 0.00 0.00 175.22 174.24 1sgx s ASP 659 N -0.71 5.42 0.31 1.98 -0.00 -1.26 -1.31 116.67 121.10 1sgx s ASP 659 Ca -0.08 0.03 0.10 0.00 -0.00 0.00 0.00 52.55 52.61 1sgx s ASP 659 Cb -0.02 -1.47 -0.06 0.00 -0.00 0.00 0.00 42.92 41.37 1sgx s ASP 659 CO 0.06 0.24 -0.13 0.27 -0.00 0.00 0.00 175.17 175.61 1sgx s ILE 660 N -1.22 2.24 -0.39 0.77 -4.36 -0.51 -4.93 121.20 112.78 1sgx s ILE 660 Ca 0.24 -2.27 0.01 0.00 -0.26 0.00 0.00 60.65 58.36 1sgx s ILE 660 Cb -0.12 -2.46 0.13 0.00 1.25 0.00 0.00 42.46 41.26 1sgx s ILE 660 CO 0.15 -0.31 0.20 -0.22 0.24 0.00 0.00 174.94 175.01 1sgx s LEU 661 N -3.54 2.23 0.42 0.37 2.96 -1.04 -0.57 118.68 119.52 1sgx s LEU 661 Ca 0.31 -2.33 -0.23 0.00 -0.22 0.00 0.00 54.13 51.65 1sgx s LEU 661 Cb -0.00 -0.86 -0.11 0.00 0.50 0.00 0.00 46.19 45.71 1sgx s LEU 661 CO 0.15 -0.31 0.78 -2.65 -1.32 0.00 0.00 176.35 173.00 1sgx n PRO 662 N 3.91 0.93 0.00 0.98 -0.02 -1.18 -4.50 135.00 135.12 1sgx n PRO 662 Ca 0.07 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1sgx n PRO 662 Cb 0.36 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1sgx n PRO 662 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sgx n SER 663 N 0.83 3.49 -3.92 2.55 3.41 0.07 -0.10 113.62 119.95 1sgx n SER 663 Ca 0.11 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.44 1sgx n SER 663 Cb 0.39 0.84 -0.16 0.00 -0.26 0.00 0.00 64.21 65.03 1sgx n SER 663 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1sgx s ARG 664 N -1.54 0.91 0.79 4.33 3.52 -1.20 -4.85 118.95 120.91 1sgx s ARG 664 Ca 0.00 -0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 55.33 1sgx s ARG 664 Cb 0.00 -0.88 0.06 0.00 -1.56 0.00 0.00 34.95 32.58 1sgx s ARG 664 CO 0.00 -0.05 1.09 -1.54 -0.81 0.00 0.00 175.30 173.99 1sgx s SER 665 N 0.79 4.55 0.00 -2.12 1.04 -1.26 -4.81 113.70 111.89 1sgx s SER 665 Ca -0.11 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1sgx s SER 665 Cb -0.14 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1sgx s SER 665 CO 0.01 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 172.90 1sgx n GLY 666 N -1.97 -0.34 3.55 7.32 0.00 0.86 -4.90 105.19 109.71 1sgx n GLY 666 Ca 0.07 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 1sgx n GLY 666 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgx s THR 667 N 0.00 4.53 0.39 2.61 2.01 -1.26 0.58 115.64 124.49 1sgx s THR 667 Ca 0.00 0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.66 1sgx s THR 667 Cb 0.00 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 1sgx s THR 667 CO 0.00 -0.82 0.29 -0.54 -0.69 0.00 0.00 174.62 172.86 1sgx s LYS 668 N 3.61 2.50 -0.15 4.92 -0.14 0.40 -4.95 119.74 125.93 1sgx s LYS 668 Ca 0.34 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.41 1sgx s LYS 668 Cb -0.11 -2.30 0.03 0.00 -1.68 0.00 0.00 37.83 33.77 1sgx s LYS 668 CO 0.24 -0.08 -0.10 -1.14 -0.76 0.00 0.00 175.35 173.51 1sgx s GLN 669 N -4.03 1.91 -0.16 1.68 0.74 -1.26 -1.03 119.66 117.52 1sgx s GLN 669 Ca 0.44 -0.54 -0.10 0.00 0.05 0.00 0.00 55.36 55.22 1sgx s GLN 669 Cb -0.02 -2.03 -0.05 0.00 1.10 0.00 0.00 33.01 32.01 1sgx s GLN 669 CO 0.26 -0.32 0.17 -1.17 -0.55 0.00 0.00 175.29 173.68 1sgx s LEU 670 N 1.55 4.29 0.07 3.68 2.96 -0.17 -4.38 118.68 126.68 1sgx s LEU 670 Ca 0.03 0.38 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1sgx s LEU 670 Cb -0.14 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1sgx s LEU 670 CO -0.09 0.26 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.24 1sgx s LEU 671 N -0.17 2.24 0.02 -0.68 1.43 -0.01 -0.93 118.68 120.57 1sgx s LEU 671 Ca 0.12 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1sgx s LEU 671 Cb -0.12 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 1sgx s LEU 671 CO 0.01 0.09 0.01 0.00 0.23 0.00 0.00 176.35 176.69 1sgx s ALA 672 N -1.00 0.07 -0.08 4.21 0.00 -0.73 -1.46 121.76 122.77 1sgx s ALA 672 Ca 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1sgx s ALA 672 Cb -0.09 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1sgx s ALA 672 CO 0.03 -0.20 -0.11 0.34 0.00 0.00 0.00 175.76 175.82 1sgx s ASP 673 N -1.66 1.92 -0.24 0.00 2.15 0.80 -2.01 116.67 117.63 1sgx s ASP 673 Ca -0.12 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.55 1sgx s ASP 673 Cb -0.07 -0.84 0.04 0.00 -0.30 0.00 0.00 42.92 41.74 1sgx s ASP 673 CO -0.02 -0.02 -0.10 0.12 -0.17 0.00 0.00 175.17 174.98 1sgx s PHE 674 N 1.01 3.07 -0.04 -5.34 5.36 -0.00 -0.50 117.98 121.53 1sgx s PHE 674 Ca -0.08 -1.81 0.07 0.00 -0.96 0.00 0.00 56.93 54.14 1sgx s PHE 674 Cb -0.15 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 1sgx s PHE 674 CO -0.00 -0.80 -0.25 -1.12 -1.46 0.00 0.00 175.22 171.59 1sgx s SER 675 N 1.25 3.01 0.26 6.13 0.01 -0.37 -0.75 113.70 123.24 1sgx s SER 675 Ca -0.02 -0.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 1sgx s SER 675 Cb -0.17 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 1sgx s SER 675 CO -0.06 0.27 0.39 0.00 0.41 0.00 0.00 173.24 174.24 1sgx h ASN 677 N 2.31 0.91 0.74 0.00 -1.07 -1.23 -2.76 115.58 114.48 1sgx h ASN 677 Ca -0.29 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.12 1sgx h ASN 677 Cb 1.25 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 1sgx h ASN 677 CO 0.41 0.50 -1.14 0.29 0.07 0.00 0.00 177.43 177.56 1sgx n LYS 678 N -4.60 0.54 -3.66 4.14 4.01 -1.26 -4.72 118.16 112.61 1sgx n LYS 678 Ca 0.18 0.05 -0.29 0.00 -0.51 0.00 0.00 58.31 57.74 1sgx n LYS 678 Cb 0.34 -1.73 -0.13 0.00 -0.51 0.00 0.00 35.03 33.00 1sgx n LYS 678 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1sgx s PHE 679 N -3.35 1.68 0.22 2.13 0.40 -1.04 -5.11 117.98 112.91 1sgx s PHE 679 Ca -0.01 -2.17 -0.30 0.00 -0.60 0.00 0.00 56.93 53.86 1sgx s PHE 679 Cb 0.11 -1.67 -0.09 0.00 0.51 0.00 0.00 43.02 41.89 1sgx s PHE 679 CO 0.81 -0.81 0.93 -1.25 0.70 0.00 0.00 175.22 175.60 1sgx s PRO 680 N 0.67 4.82 -1.16 0.24 0.04 -1.24 -1.71 135.00 136.67 1sgx s PRO 680 Ca 0.17 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 1sgx s PRO 680 Cb -0.23 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1sgx s PRO 680 CO -0.03 0.49 0.79 0.00 0.04 0.00 0.00 177.00 178.29 1sgx n ALA 681 N 1.63 -2.43 -2.33 8.56 0.00 -1.24 -4.87 120.51 119.84 1sgx n ALA 681 Ca -0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1sgx n ALA 681 Cb 0.47 -4.02 -0.05 0.00 0.00 0.00 0.00 19.45 15.86 1sgx n ALA 681 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sgx s ILE 682 N -3.51 4.59 0.14 0.00 1.01 0.07 -4.86 121.20 118.64 1sgx s ILE 682 Ca 0.38 1.94 0.04 0.00 0.00 0.00 0.00 60.65 63.01 1sgx s ILE 682 Cb -0.11 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1sgx s ILE 682 CO 0.83 0.32 0.13 -0.54 0.00 0.00 0.00 174.94 175.68 1sgx s LYS 683 N 0.04 2.93 -0.02 2.79 -0.14 -1.26 -0.82 119.74 123.24 1sgx s LYS 683 Ca 0.45 -0.80 -0.13 0.00 -1.36 0.00 0.00 55.97 54.13 1sgx s LYS 683 Cb -0.22 -2.69 0.02 0.00 -1.68 0.00 0.00 37.83 33.26 1sgx s LYS 683 CO 0.28 0.51 0.28 0.00 -0.76 0.00 0.00 175.35 175.66 1sgx s ALA 684 N -1.64 -0.70 -0.05 5.17 0.00 -0.85 -4.49 121.76 119.21 1sgx s ALA 684 Ca 0.31 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.52 1sgx s ALA 684 Cb -0.11 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1sgx s ALA 684 CO 0.23 -0.23 0.16 1.41 0.00 0.00 0.00 175.76 177.33 1sgx s MET 685 N -1.13 0.27 -0.13 0.00 1.75 -1.26 -1.77 119.30 117.02 1sgx s MET 685 Ca -0.12 0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.35 1sgx s MET 685 Cb -0.05 0.12 0.06 0.00 2.84 0.00 0.00 34.83 37.80 1sgx s MET 685 CO 0.03 -0.05 0.29 -1.17 -0.65 0.00 0.00 175.02 173.47 1sgx s LEU 686 N -0.25 -0.12 0.06 4.11 2.96 -0.11 -4.86 118.68 120.47 1sgx s LEU 686 Ca -0.03 0.64 -0.28 0.00 -0.22 0.00 0.00 54.13 54.24 1sgx s LEU 686 Cb -0.03 0.84 -0.05 0.00 0.50 0.00 0.00 46.19 47.45 1sgx s LEU 686 CO 0.01 -0.21 0.88 -0.55 -1.32 0.00 0.00 176.35 175.15 1sgx s SER 687 N 2.03 7.35 -0.10 3.68 0.15 -1.26 -1.00 113.70 124.54 1sgx s SER 687 Ca -0.03 1.61 -0.01 0.00 0.70 0.00 0.00 55.95 58.23 1sgx s SER 687 Cb -0.11 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1sgx s SER 687 CO -0.09 -0.07 -0.06 -0.63 1.20 0.00 0.00 173.24 173.59 1sgx s ILE 688 N 0.16 0.87 -0.47 6.45 1.01 -0.20 -4.97 121.20 124.05 1sgx s ILE 688 Ca 0.44 -0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.67 1sgx s ILE 688 Cb -0.22 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.37 1sgx s ILE 688 CO 0.26 0.34 0.79 -1.81 0.00 0.00 0.00 174.94 174.53 1sgx s ASP 689 N 1.73 6.38 -0.20 3.58 1.01 -1.26 -0.45 116.67 127.46 1sgx s ASP 689 Ca 0.04 -0.22 -0.22 0.00 0.71 0.00 0.00 52.55 52.86 1sgx s ASP 689 Cb -0.13 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1sgx s ASP 689 CO -0.07 -0.96 0.70 -0.69 0.21 0.00 0.00 175.17 174.36 1sgx s VAL 690 N 3.33 4.96 0.66 -1.27 1.01 0.20 -4.54 120.40 124.74 1sgx s VAL 690 Ca 0.29 1.33 -0.08 0.00 0.00 0.00 0.00 61.98 63.52 1sgx s VAL 690 Cb -0.13 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.27 1sgx s VAL 690 CO 0.21 0.06 0.99 0.00 0.00 0.00 0.00 175.10 176.36 1sgx s ALA 691 N 2.14 3.13 -2.06 5.51 0.00 0.40 -0.10 121.76 130.78 1sgx s ALA 691 Ca 0.31 -0.65 0.32 0.00 0.00 0.00 0.00 51.96 51.94 1sgx s ALA 691 Cb -0.16 -2.73 1.81 0.00 0.00 0.00 0.00 23.12 22.04 1sgx s ALA 691 CO 0.10 -1.05 2.17 -1.91 0.00 0.00 0.00 175.76 175.08