#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpx s VAL 2 N 0.00 5.00 0.23 0.00 1.01 -1.26 -0.61 120.40 124.78 1qpx s VAL 2 Ca 0.00 1.42 0.11 0.00 0.00 0.00 0.00 61.98 63.51 1qpx s VAL 2 Cb 0.00 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1qpx s VAL 2 CO 0.00 0.16 -0.18 -0.94 0.00 0.00 0.00 175.10 174.14 1qpx s SER 3 N 0.98 3.74 0.27 3.32 1.04 -0.07 -4.92 113.70 118.07 1qpx s SER 3 Ca 0.35 -0.86 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1qpx s SER 3 Cb -0.17 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 1qpx s SER 3 CO 0.15 0.07 0.49 -0.76 0.98 0.00 0.00 173.24 174.17 1qpx s LEU 4 N -3.12 4.11 0.00 2.42 1.43 -1.26 -1.48 118.68 120.78 1qpx s LEU 4 Ca 0.26 0.52 0.29 0.00 -1.03 0.00 0.00 54.13 54.17 1qpx s LEU 4 Cb -0.07 -3.33 1.63 0.00 0.03 0.00 0.00 46.19 44.45 1qpx s LEU 4 CO 0.14 -0.17 2.06 -0.90 0.23 0.00 0.00 176.35 177.71 1qpx n ASP 5 N -1.07 0.24 -3.56 2.29 5.75 -0.77 -4.91 116.55 114.51 1qpx n ASP 5 Ca -0.04 -1.16 -0.08 0.00 -0.01 0.00 0.00 54.79 53.51 1qpx n ASP 5 Cb 0.54 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.61 1qpx n ASP 5 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qpx s ARG 6 N -1.99 1.08 -0.01 0.11 1.70 -1.26 -5.01 118.95 113.57 1qpx s ARG 6 Ca 0.43 -0.47 0.21 0.00 -0.47 0.00 0.00 55.73 55.43 1qpx s ARG 6 Cb 0.20 0.45 -0.25 0.00 -0.57 0.00 0.00 34.95 34.78 1qpx s ARG 6 CO 0.34 -0.48 0.79 0.25 -1.08 0.00 0.00 175.30 175.11 1qpx n THR 7 N -0.34 0.00 -3.60 4.99 -2.24 -1.26 -4.99 114.28 106.84 1qpx n THR 7 Ca -0.10 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 1qpx n THR 7 Cb 0.62 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 1qpx n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpx s ARG 8 N -3.08 0.95 0.02 -0.78 1.70 -1.26 -4.24 118.95 112.25 1qpx s ARG 8 Ca 0.04 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 1qpx s ARG 8 Cb 0.15 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.96 1qpx s ARG 8 CO 0.86 -0.31 -0.03 0.00 -1.08 0.00 0.00 175.30 174.75 1qpx s ALA 9 N -1.64 0.14 -0.22 7.88 0.00 -0.17 -4.99 121.76 122.76 1qpx s ALA 9 Ca -0.10 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 1qpx s ALA 9 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1qpx s ALA 9 CO 0.05 -0.11 -0.02 0.08 0.00 0.00 0.00 175.76 175.76 1qpx s VAL 10 N -1.11 3.58 -0.51 0.00 1.01 -1.26 0.08 120.40 122.19 1qpx s VAL 10 Ca -0.12 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1qpx s VAL 10 Cb -0.08 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1qpx s VAL 10 CO -0.01 0.41 0.66 0.12 0.00 0.00 0.00 175.10 176.29 1qpx s PHE 11 N 1.44 3.02 -0.49 5.22 5.99 0.31 -4.94 117.98 128.53 1qpx s PHE 11 Ca 0.05 -0.46 -0.28 0.00 0.00 0.00 0.00 56.93 56.25 1qpx s PHE 11 Cb -0.14 -3.59 -0.01 0.00 0.00 0.00 0.00 43.02 39.27 1qpx s PHE 11 CO -0.01 -1.06 1.71 0.34 -0.00 0.00 0.00 175.22 176.20 1qpx s ASP 12 N 2.68 5.74 0.01 6.13 3.68 -1.26 -1.36 116.67 132.29 1qpx s ASP 12 Ca 0.17 0.71 0.04 0.00 2.13 0.00 0.00 52.55 55.60 1qpx s ASP 12 Cb -0.18 -2.53 0.18 0.00 -1.45 0.00 0.00 42.92 38.93 1qpx s ASP 12 CO 0.13 -1.93 1.13 0.61 0.13 0.00 0.00 175.17 175.23 1qpx n GLY 13 N 5.46 -0.62 0.00 2.66 0.00 0.68 -1.45 105.19 111.92 1qpx n GLY 13 Ca 0.19 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1qpx n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qpx n SER 14 N -1.53 0.00 -4.39 1.61 3.41 -1.26 -4.22 113.62 107.24 1qpx n SER 14 Ca 0.01 -1.14 -0.29 0.00 -0.26 0.00 0.00 58.87 57.19 1qpx n SER 14 Cb 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1qpx n SER 14 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1qpx s GLU 15 N -2.00 1.49 0.18 4.33 0.41 -0.53 -5.04 118.70 117.54 1qpx s GLU 15 Ca 0.39 -1.30 0.10 0.00 -0.41 0.00 0.00 54.97 53.75 1qpx s GLU 15 Cb 0.18 -1.93 -0.09 0.00 -1.78 0.00 0.00 34.13 30.51 1qpx s GLU 15 CO 0.30 0.46 1.35 1.57 -0.49 0.00 0.00 175.26 178.45 1qpx h LYS 16 N 4.00 0.00 -2.90 1.61 2.10 -1.86 -3.47 116.57 116.05 1qpx h LYS 16 Ca -0.50 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.19 1qpx h LYS 16 Cb 1.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1qpx h LYS 16 CO 0.40 0.81 0.31 -1.54 -2.00 0.00 0.00 179.45 177.43 1qpx s SER 17 N -6.62 -0.09 0.11 7.07 1.04 -1.26 -3.08 113.70 110.86 1qpx s SER 17 Ca 0.02 -0.87 -0.19 0.00 0.48 0.00 0.00 55.95 55.39 1qpx s SER 17 Cb 0.09 0.75 0.05 0.00 0.10 0.00 0.00 66.02 67.01 1qpx s SER 17 CO 0.79 -1.45 0.47 0.00 0.98 0.00 0.00 173.24 174.03 1qpx s MET 18 N -2.88 1.09 0.09 4.02 0.23 -0.65 -5.01 119.30 116.19 1qpx s MET 18 Ca 0.14 -0.51 0.10 0.00 -1.03 0.00 0.00 55.69 54.39 1qpx s MET 18 Cb -0.05 0.49 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1qpx s MET 18 CO 0.09 -0.43 -0.25 0.95 -2.03 0.00 0.00 175.02 173.35 1qpx s THR 19 N -3.34 2.04 -0.10 3.16 -4.23 -1.26 -0.89 115.64 111.02 1qpx s THR 19 Ca -0.00 -1.56 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1qpx s THR 19 Cb 0.00 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 1qpx s THR 19 CO -0.09 0.13 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.23 1qpx s LEU 20 N -1.73 2.69 0.08 4.79 1.43 -0.25 -4.95 118.68 120.73 1qpx s LEU 20 Ca 0.11 -0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 52.72 1qpx s LEU 20 Cb -0.10 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 1qpx s LEU 20 CO 0.04 0.23 0.59 -1.81 0.23 0.00 0.00 176.35 175.63 1qpx s ASP 21 N -0.06 7.09 0.09 2.29 -0.00 -1.26 -0.85 116.67 123.96 1qpx s ASP 21 Ca -0.03 1.29 0.05 0.00 -0.00 0.00 0.00 52.55 53.86 1qpx s ASP 21 Cb -0.14 -2.37 -0.03 0.00 -0.00 0.00 0.00 42.92 40.38 1qpx s ASP 21 CO 0.04 0.26 -0.14 0.27 -0.00 0.00 0.00 175.17 175.60 1qpx s ILE 22 N -1.05 1.15 -0.02 0.77 -4.36 -0.23 -1.85 121.20 115.61 1qpx s ILE 22 Ca 0.30 -1.47 -0.07 0.00 -0.26 0.00 0.00 60.65 59.14 1qpx s ILE 22 Cb -0.20 -1.24 0.01 0.00 1.25 0.00 0.00 42.46 42.28 1qpx s ILE 22 CO 0.19 -0.33 0.16 -0.94 0.24 0.00 0.00 174.94 174.26 1qpx s SER 23 N -2.05 -0.05 -0.52 4.36 1.04 -0.55 -0.37 113.70 115.57 1qpx s SER 23 Ca 0.02 -0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.19 1qpx s SER 23 Cb -0.07 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.34 1qpx s SER 23 CO 0.02 -0.27 0.97 0.21 0.98 0.00 0.00 173.24 175.15 1qpx s ASN 24 N -0.89 6.42 0.04 7.02 2.47 0.13 -0.89 114.94 129.24 1qpx s ASN 24 Ca -0.10 -0.09 0.28 0.00 0.42 0.00 0.00 52.86 53.37 1qpx s ASN 24 Cb -0.05 -2.46 1.05 0.00 -1.45 0.00 0.00 41.25 38.34 1qpx s ASN 24 CO 0.01 -1.19 1.83 0.47 -3.72 0.00 0.00 177.10 174.50 1qpx n ASP 25 N 7.48 0.22 -4.65 -4.21 8.00 0.22 -3.31 116.55 120.30 1qpx n ASP 25 Ca 0.05 0.42 -0.43 0.00 0.71 0.00 0.00 54.79 55.53 1qpx n ASP 25 Cb 0.48 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 1qpx n ASP 25 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1qpx s ASN 26 N -3.31 6.90 0.00 -2.24 3.84 -1.25 -4.85 114.94 114.03 1qpx s ASN 26 Ca 0.13 1.31 0.29 0.00 0.21 0.00 0.00 52.86 54.79 1qpx s ASN 26 Cb 0.17 -2.54 1.21 0.00 -0.55 0.00 0.00 41.25 39.55 1qpx s ASN 26 CO 0.57 -0.86 1.84 0.29 -2.79 0.00 0.00 177.10 176.14 1qpx n LYS 27 N 6.81 1.30 -0.13 0.43 5.02 -1.26 -1.48 118.16 128.85 1qpx n LYS 27 Ca 0.13 -0.62 -0.27 0.00 -2.02 0.00 0.00 58.31 55.54 1qpx n LYS 27 Cb 0.46 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.88 1qpx n LYS 27 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1qpx n GLN 28 N -0.31 0.59 -4.37 1.97 1.13 -1.26 -4.56 117.38 110.57 1qpx n GLN 28 Ca 0.19 0.23 -0.29 0.00 -1.94 0.00 0.00 57.00 55.19 1qpx n GLN 28 Cb 0.29 -1.48 -0.12 0.00 0.11 0.00 0.00 30.24 29.04 1qpx n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1qpx s LEU 29 N -7.25 2.43 0.47 1.08 1.43 -1.26 -4.81 118.68 110.77 1qpx s LEU 29 Ca -0.37 -0.71 -0.21 0.00 -1.03 0.00 0.00 54.13 51.81 1qpx s LEU 29 Cb 0.13 -1.31 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 1qpx s LEU 29 CO 0.50 0.18 1.04 -2.16 0.23 0.00 0.00 176.35 176.14 1qpx s PRO 30 N -2.13 3.85 0.12 1.29 0.04 -1.26 -4.03 135.00 132.88 1qpx s PRO 30 Ca 0.16 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1qpx s PRO 30 Cb -0.10 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1qpx s PRO 30 CO 0.07 -0.39 -0.10 0.71 0.04 0.00 0.00 177.00 177.33 1qpx s TYR 31 N -1.93 1.16 -0.13 0.56 1.51 -0.13 -4.17 117.35 114.21 1qpx s TYR 31 Ca 0.66 -0.69 -0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1qpx s TYR 31 Cb -0.17 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1qpx s TYR 31 CO 0.21 0.04 0.14 -0.51 -1.11 0.00 0.00 175.55 174.32 1qpx s LEU 32 N -2.73 4.37 -0.26 -1.29 1.43 -0.33 0.48 118.68 120.36 1qpx s LEU 32 Ca 0.10 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1qpx s LEU 32 Cb -0.01 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1qpx s LEU 32 CO 0.00 0.38 -0.02 0.00 0.23 0.00 0.00 176.35 176.94 1qpx s ALA 33 N -0.85 2.80 -0.23 4.21 0.00 0.25 0.33 121.76 128.27 1qpx s ALA 33 Ca 0.14 -1.43 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 1qpx s ALA 33 Cb -0.12 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1qpx s ALA 33 CO 0.03 -0.80 0.12 -1.14 0.00 0.00 0.00 175.76 173.97 1qpx s GLN 34 N 1.38 3.96 -0.06 0.00 0.74 0.09 -1.84 119.66 123.94 1qpx s GLN 34 Ca 0.01 -0.33 0.05 0.00 0.05 0.00 0.00 55.36 55.15 1qpx s GLN 34 Cb -0.17 -3.42 -0.01 0.00 1.10 0.00 0.00 33.01 30.52 1qpx s GLN 34 CO -0.03 0.06 -0.22 0.00 -0.55 0.00 0.00 175.29 174.55 1qpx s ALA 35 N 1.00 1.96 0.11 1.58 0.00 0.86 0.28 121.76 127.55 1qpx s ALA 35 Ca 0.06 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1qpx s ALA 35 Cb -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1qpx s ALA 35 CO 0.04 0.35 0.24 1.67 0.00 0.00 0.00 175.76 178.06 1qpx s TRP 36 N -0.01 0.17 -0.05 0.00 -2.14 -0.63 -4.60 118.94 111.69 1qpx s TRP 36 Ca -0.06 -0.57 -0.02 0.00 2.66 0.00 0.00 56.10 58.11 1qpx s TRP 36 Cb -0.14 -0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.18 1qpx s TRP 36 CO 0.04 -0.61 0.06 0.42 -2.66 0.00 0.00 176.95 174.20 1qpx s ILE 37 N -3.88 4.71 0.22 0.66 -1.09 -1.26 -0.67 121.20 119.89 1qpx s ILE 37 Ca 0.08 -0.27 0.08 0.00 -2.23 0.00 0.00 60.65 58.31 1qpx s ILE 37 Cb 0.04 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.79 1qpx s ILE 37 CO -0.08 0.47 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.34 1qpx s GLU 38 N -1.37 1.41 0.77 2.79 2.02 0.15 -2.32 118.70 122.14 1qpx s GLU 38 Ca 0.19 -1.64 -0.02 0.00 0.02 0.00 0.00 54.97 53.52 1qpx s GLU 38 Cb -0.12 -1.25 0.15 0.00 0.10 0.00 0.00 34.13 33.02 1qpx s GLU 38 CO 0.09 0.20 1.05 0.54 0.02 0.00 0.00 175.26 177.16 1qpx s ASN 39 N -3.36 4.07 0.66 -0.19 2.20 0.17 -0.61 114.94 117.87 1qpx s ASN 39 Ca 0.24 -0.44 0.39 0.00 -0.94 0.00 0.00 52.86 52.11 1qpx s ASN 39 Cb -0.01 0.19 2.12 0.00 -2.00 0.00 0.00 41.25 41.55 1qpx s ASN 39 CO 0.09 -2.07 2.22 1.05 -2.94 0.00 0.00 177.10 175.45 1qpx h GLU 40 N -0.71 0.00 -0.03 3.55 4.11 -1.78 0.74 114.58 120.46 1qpx h GLU 40 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1qpx h GLU 40 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1qpx h GLU 40 CO 0.37 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.54 1qpx n ASN 41 N -3.12 1.32 -1.23 3.06 3.02 -1.26 -4.90 115.26 112.14 1qpx n ASN 41 Ca -0.02 -1.47 -0.09 0.00 -0.03 0.00 0.00 54.58 52.97 1qpx n ASN 41 Cb 0.18 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1qpx n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qpx n GLN 42 N 0.04 -1.37 -4.06 3.52 6.02 0.25 -5.02 117.38 116.76 1qpx n GLN 42 Ca 0.19 0.43 -0.35 0.00 -0.01 0.00 0.00 57.00 57.26 1qpx n GLN 42 Cb 0.32 -4.35 -0.09 0.00 1.02 0.00 0.00 30.24 27.14 1qpx n GLN 42 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1qpx s GLU 43 N -4.71 3.64 0.21 -1.09 2.02 -1.25 -4.84 118.70 112.66 1qpx s GLU 43 Ca 0.06 -0.31 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 1qpx s GLU 43 Cb -0.03 -3.11 -0.09 0.00 0.10 0.00 0.00 34.13 31.01 1qpx s GLU 43 CO 0.07 0.48 1.24 0.21 0.02 0.00 0.00 175.26 177.28 1qpx s LYS 44 N -0.22 4.46 -0.08 1.61 2.20 -1.26 -0.66 119.74 125.80 1qpx s LYS 44 Ca 0.08 1.96 0.03 0.00 -0.36 0.00 0.00 55.97 57.67 1qpx s LYS 44 Cb -0.12 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1qpx s LYS 44 CO 0.01 -0.13 -0.16 0.96 -0.36 0.00 0.00 175.35 175.68 1qpx s ILE 45 N -0.16 1.41 0.00 5.43 -4.36 -0.98 -4.90 121.20 117.64 1qpx s ILE 45 Ca 0.53 -0.64 0.00 0.00 -0.26 0.00 0.00 60.65 60.28 1qpx s ILE 45 Cb -0.34 -1.26 0.00 0.00 1.25 0.00 0.00 42.46 42.11 1qpx s ILE 45 CO 0.39 0.42 0.72 2.30 0.24 0.00 0.00 174.94 179.01 1qpx n ILE 46 N 3.72 0.50 -0.02 8.37 -5.35 -1.26 -4.38 119.36 120.94 1qpx n ILE 46 Ca -0.22 -0.69 0.05 0.00 -0.27 0.00 0.00 62.75 61.62 1qpx n ILE 46 Cb 0.52 0.80 -0.12 0.00 -1.74 0.00 0.00 39.64 39.11 1qpx n ILE 46 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1qpx n THR 47 N -0.25 0.20 -0.27 7.28 5.66 -1.26 -5.08 114.28 120.56 1qpx n THR 47 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1qpx n THR 47 Cb 0.17 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1qpx n THR 47 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1qpx n GLY 48 N 1.72 0.33 0.76 1.09 0.00 -1.26 -4.89 105.19 102.93 1qpx n GLY 48 Ca -0.07 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.25 1qpx n GLY 48 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qpx n PRO 49 N -1.20 2.00 -4.56 1.61 -0.04 -1.26 -4.94 135.00 126.61 1qpx n PRO 49 Ca 0.00 -1.50 -0.33 0.00 -0.04 0.00 0.00 63.50 61.63 1qpx n PRO 49 Cb 0.00 -1.44 -0.16 0.00 -0.04 0.00 0.00 33.50 31.86 1qpx n PRO 49 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1qpx s VAL 50 N -1.74 2.48 0.14 0.52 1.01 -1.26 -1.51 120.40 120.04 1qpx s VAL 50 Ca 0.34 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.59 1qpx s VAL 50 Cb 0.19 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1qpx s VAL 50 CO 0.29 0.52 -0.25 0.27 0.00 0.00 0.00 175.10 175.93 1qpx s ILE 51 N 0.83 2.18 -0.20 2.22 -4.36 0.92 -4.86 121.20 117.94 1qpx s ILE 51 Ca -0.06 -1.80 -0.04 0.00 -0.26 0.00 0.00 60.65 58.49 1qpx s ILE 51 Cb -0.15 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 1qpx s ILE 51 CO -0.01 -0.00 -0.04 0.00 0.24 0.00 0.00 174.94 175.13 1qpx s ALA 52 N -1.27 2.86 0.03 2.27 0.00 -1.26 -0.95 121.76 123.44 1qpx s ALA 52 Ca 0.15 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1qpx s ALA 52 Cb -0.09 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1qpx s ALA 52 CO 0.07 -0.23 -0.13 0.95 0.00 0.00 0.00 175.76 176.42 1qpx s THR 53 N 1.14 1.02 0.58 0.00 -4.23 0.06 -3.81 115.64 110.40 1qpx s THR 53 Ca 0.02 -0.90 -0.14 0.00 -1.18 0.00 0.00 61.69 59.48 1qpx s THR 53 Cb -0.15 -0.92 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1qpx s THR 53 CO -0.00 0.02 1.02 -2.16 -0.54 0.00 0.00 174.62 172.96 1qpx s PRO 54 N -1.00 3.60 0.34 3.99 0.04 -1.26 -0.63 135.00 140.07 1qpx s PRO 54 Ca 0.01 0.96 0.11 0.00 0.04 0.00 0.00 61.00 62.12 1qpx s PRO 54 Cb -0.07 -2.08 0.59 0.00 0.04 0.00 0.00 34.50 32.98 1qpx s PRO 54 CO 0.01 -0.56 1.76 -1.00 0.04 0.00 0.00 177.00 177.25 1qpx h PRO 55 N 0.32 0.07 -3.32 0.56 0.13 -1.81 -3.42 132.00 124.53 1qpx h PRO 55 Ca -0.46 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 1qpx h PRO 55 Cb 1.20 -0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 1qpx h PRO 55 CO 0.60 0.48 -0.56 0.08 -0.23 0.00 0.00 178.00 178.37 1qpx s VAL 56 N -4.10 -0.02 0.08 1.56 1.01 -1.26 -0.10 120.40 117.58 1qpx s VAL 56 Ca -0.03 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1qpx s VAL 56 Cb 0.14 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.30 1qpx s VAL 56 CO 0.74 0.03 0.24 0.00 0.00 0.00 0.00 175.10 176.11 1qpx s GLN 57 N 0.50 0.86 -0.24 2.72 -2.07 -0.77 -4.98 119.66 115.68 1qpx s GLN 57 Ca -0.03 -0.82 -0.12 0.00 -1.82 0.00 0.00 55.36 52.57 1qpx s GLN 57 Cb -0.05 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1qpx s GLN 57 CO -0.02 -0.29 0.23 0.50 -1.32 0.00 0.00 175.29 174.40 1qpx s ARG 58 N -3.54 4.08 -0.25 9.60 3.52 -1.26 -0.58 118.95 130.52 1qpx s ARG 58 Ca 0.02 -0.14 -0.06 0.00 -0.13 0.00 0.00 55.73 55.41 1qpx s ARG 58 Cb 0.03 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1qpx s ARG 58 CO -0.09 -0.01 0.05 -0.51 -0.81 0.00 0.00 175.30 173.92 1qpx s LEU 59 N 1.27 3.37 0.70 -0.88 1.43 0.18 -4.98 118.68 119.77 1qpx s LEU 59 Ca 0.11 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 1qpx s LEU 59 Cb -0.14 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.22 1qpx s LEU 59 CO 0.06 -0.05 1.09 -1.81 0.23 0.00 0.00 176.35 175.87 1qpx s ASP 60 N 1.57 4.99 -0.14 2.29 1.11 -1.26 -0.96 116.67 124.27 1qpx s ASP 60 Ca 0.06 1.87 -0.41 0.00 0.18 0.00 0.00 52.55 54.24 1qpx s ASP 60 Cb -0.15 -2.53 -0.19 0.00 1.07 0.00 0.00 42.92 41.12 1qpx s ASP 60 CO 0.02 -1.71 1.35 -2.65 1.18 0.00 0.00 175.17 173.36 1qpx n PRO 61 N -2.88 0.42 -0.81 8.23 -0.02 -1.26 -0.95 135.00 137.74 1qpx n PRO 61 Ca 0.09 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1qpx n PRO 61 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1qpx n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpx n GLY 62 N 2.69 0.37 3.80 -1.23 0.00 -0.55 -4.90 105.19 105.36 1qpx n GLY 62 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1qpx n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpx s ALA 63 N -2.03 2.71 0.14 4.61 0.00 -0.12 -4.70 121.76 122.37 1qpx s ALA 63 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1qpx s ALA 63 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1qpx s ALA 63 CO 0.00 -0.89 -0.09 0.15 0.00 0.00 0.00 175.76 174.93 1qpx s LYS 64 N -4.19 2.13 0.00 0.00 -0.14 -1.26 0.20 119.74 116.48 1qpx s LYS 64 Ca 0.63 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1qpx s LYS 64 Cb -0.16 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 1qpx s LYS 64 CO 0.39 0.48 0.00 0.45 -0.76 0.00 0.00 175.35 175.91 1qpx n SER 65 N 0.41 0.00 -3.75 2.83 2.88 0.51 -4.98 113.62 111.51 1qpx n SER 65 Ca -0.12 -0.20 -0.10 0.00 -1.33 0.00 0.00 58.87 57.12 1qpx n SER 65 Cb 0.54 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1qpx n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qpx s MET 66 N 0.39 1.14 -0.08 -1.46 0.23 -1.26 -1.07 119.30 117.19 1qpx s MET 66 Ca 0.00 -0.87 0.04 0.00 -1.03 0.00 0.00 55.69 53.83 1qpx s MET 66 Cb 0.00 0.45 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 1qpx s MET 66 CO 0.00 -0.44 -0.22 0.08 -2.03 0.00 0.00 175.02 172.41 1qpx s VAL 67 N -3.86 1.88 -0.16 5.16 1.01 -0.03 -4.75 120.40 119.64 1qpx s VAL 67 Ca 0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1qpx s VAL 67 Cb 0.02 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1qpx s VAL 67 CO -0.07 0.52 0.21 -0.60 0.00 0.00 0.00 175.10 175.16 1qpx s ARG 68 N 0.30 4.08 -0.21 2.72 3.52 0.19 -1.09 118.95 128.45 1qpx s ARG 68 Ca -0.15 -0.05 -0.07 0.00 -0.13 0.00 0.00 55.73 55.32 1qpx s ARG 68 Cb -0.17 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1qpx s ARG 68 CO 0.07 0.38 0.07 -0.51 -0.81 0.00 0.00 175.30 174.50 1qpx s LEU 69 N 0.09 3.66 0.16 -0.88 1.43 -0.07 -0.76 118.68 122.31 1qpx s LEU 69 Ca 0.13 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1qpx s LEU 69 Cb -0.12 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1qpx s LEU 69 CO 0.02 0.08 -0.12 -0.44 0.23 0.00 0.00 176.35 176.12 1qpx s SER 70 N 0.92 2.08 -0.01 2.29 0.01 -0.13 -1.63 113.70 117.23 1qpx s SER 70 Ca 0.04 -0.99 -0.00 0.00 1.31 0.00 0.00 55.95 56.31 1qpx s SER 70 Cb -0.14 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1qpx s SER 70 CO 0.03 -0.25 0.07 0.42 0.41 0.00 0.00 173.24 173.92 1qpx s THR 71 N -3.05 4.67 0.77 1.44 -4.23 -1.18 -0.06 115.64 114.01 1qpx s THR 71 Ca 0.18 -0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 60.22 1qpx s THR 71 Cb 0.00 -3.13 0.14 0.00 1.34 0.00 0.00 72.50 70.85 1qpx s THR 71 CO 0.03 0.36 1.06 0.42 -0.54 0.00 0.00 174.62 175.95 1qpx s THR 72 N -1.18 2.13 0.16 3.99 -4.23 -0.57 -4.95 115.64 110.99 1qpx s THR 72 Ca 0.22 -0.44 0.30 0.00 -1.18 0.00 0.00 61.69 60.59 1qpx s THR 72 Cb -0.12 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.35 1qpx s THR 72 CO 0.13 0.00 1.94 1.55 -0.54 0.00 0.00 174.62 177.70 1qpx h PRO 73 N -0.77 0.00 0.00 3.99 0.13 -1.98 -3.06 132.00 130.31 1qpx h PRO 73 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1qpx h PRO 73 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1qpx h PRO 73 CO 0.41 0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 1qpx n ASP 74 N -3.26 0.58 0.25 1.44 9.92 -1.26 -2.18 116.55 122.04 1qpx n ASP 74 Ca 0.00 0.69 0.15 0.00 -0.53 0.00 0.00 54.79 55.10 1qpx n ASP 74 Cb 0.34 -0.79 0.85 0.00 -0.64 0.00 0.00 41.12 40.88 1qpx n ASP 74 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1qpx h ILE 75 N 0.00 0.56 0.00 0.53 6.09 -1.78 -1.07 117.51 121.84 1qpx h ILE 75 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1qpx h ILE 75 Cb 0.21 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.44 1qpx h ILE 75 CO 0.00 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 173.54 1qpx n SER 76 N -3.91 0.30 0.15 2.19 3.41 -0.93 -2.50 113.62 112.33 1qpx n SER 76 Ca -0.01 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1qpx n SER 76 Cb 0.18 -0.62 0.36 0.00 -0.26 0.00 0.00 64.21 63.87 1qpx n SER 76 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1qpx h LYS 77 N 0.00 0.00 -7.31 4.33 1.57 -1.43 -3.46 116.57 110.28 1qpx h LYS 77 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1qpx h LYS 77 Cb 0.45 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.90 1qpx h LYS 77 CO 0.00 0.00 0.29 -0.51 -0.57 0.00 0.00 179.45 178.66 1qpx s LEU 78 N -5.09 2.93 0.42 2.94 1.43 -1.04 -4.93 118.68 115.34 1qpx s LEU 78 Ca 0.09 1.87 -0.26 0.00 -1.03 0.00 0.00 54.13 54.80 1qpx s LEU 78 Cb 0.10 -4.48 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 1qpx s LEU 78 CO 0.60 -2.30 1.37 -2.65 0.23 0.00 0.00 176.35 173.60 1qpx n PRO 79 N -3.70 2.19 0.00 1.29 -0.02 -1.26 -4.90 135.00 128.60 1qpx n PRO 79 Ca 0.09 0.78 0.10 0.00 -2.02 0.00 0.00 63.50 62.45 1qpx n PRO 79 Cb 0.53 -2.51 0.07 0.00 -0.02 0.00 0.00 33.50 31.57 1qpx n PRO 79 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qpx n GLN 80 N 0.07 1.82 -0.24 -0.52 1.13 -1.26 -4.38 117.38 113.99 1qpx n GLN 80 Ca 0.05 -1.60 0.07 0.00 -1.94 0.00 0.00 57.00 53.57 1qpx n GLN 80 Cb 0.40 -1.40 0.19 0.00 0.11 0.00 0.00 30.24 29.54 1qpx n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1qpx n ASP 81 N 0.96 3.20 -3.45 1.08 5.68 -1.26 -4.49 116.55 118.28 1qpx n ASP 81 Ca 0.11 -2.11 -0.12 0.00 -0.50 0.00 0.00 54.79 52.18 1qpx n ASP 81 Cb 0.50 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 1qpx n ASP 81 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qpx s ARG 82 N -1.20 1.25 0.62 0.11 1.70 -1.26 -4.74 118.95 115.44 1qpx s ARG 82 Ca 0.29 -0.49 -0.15 0.00 -0.47 0.00 0.00 55.73 54.91 1qpx s ARG 82 Cb 0.16 0.57 -0.03 0.00 -0.57 0.00 0.00 34.95 35.09 1qpx s ARG 82 CO 0.17 -0.54 1.06 -1.21 -1.08 0.00 0.00 175.30 173.70 1qpx s GLU 83 N -3.72 3.21 0.08 3.89 2.02 -0.60 -4.58 118.70 119.01 1qpx s GLU 83 Ca 0.01 1.16 0.09 0.00 0.02 0.00 0.00 54.97 56.25 1qpx s GLU 83 Cb -0.01 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1qpx s GLU 83 CO -0.13 -0.89 -0.23 -1.12 0.02 0.00 0.00 175.26 172.91 1qpx s SER 84 N -2.99 2.79 -0.20 -0.19 0.01 -0.66 -4.88 113.70 107.58 1qpx s SER 84 Ca 0.62 -0.64 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 1qpx s SER 84 Cb -0.16 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1qpx s SER 84 CO 0.41 0.14 0.07 -0.22 0.41 0.00 0.00 173.24 174.05 1qpx s LEU 85 N -1.65 3.75 0.25 2.44 2.96 -1.26 -0.83 118.68 124.34 1qpx s LEU 85 Ca 0.09 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1qpx s LEU 85 Cb -0.10 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1qpx s LEU 85 CO 0.04 0.12 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.75 1qpx s PHE 86 N 0.70 1.84 -0.05 5.38 0.40 0.12 -2.24 117.98 124.12 1qpx s PHE 86 Ca 0.04 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1qpx s PHE 86 Cb -0.13 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 1qpx s PHE 86 CO 0.02 0.26 -0.19 0.71 0.70 0.00 0.00 175.22 176.73 1qpx s TYR 87 N -3.05 2.59 -0.23 0.36 1.51 0.22 0.05 117.35 118.79 1qpx s TYR 87 Ca 0.27 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.85 1qpx s TYR 87 Cb 0.03 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1qpx s TYR 87 CO 0.10 0.01 0.14 0.12 -1.11 0.00 0.00 175.55 174.82 1qpx s PHE 88 N -0.46 3.30 0.07 2.71 5.36 -0.14 -0.68 117.98 128.15 1qpx s PHE 88 Ca 0.06 0.18 0.07 0.00 -0.96 0.00 0.00 56.93 56.28 1qpx s PHE 88 Cb -0.12 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 1qpx s PHE 88 CO 0.01 0.07 -0.14 -0.80 -1.46 0.00 0.00 175.22 172.90 1qpx s ASN 89 N 0.97 4.09 -0.03 6.13 -0.87 0.16 -1.19 114.94 124.20 1qpx s ASN 89 Ca 0.07 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 50.95 1qpx s ASN 89 Cb -0.13 -0.72 0.03 0.00 -0.02 0.00 0.00 41.25 40.41 1qpx s ASN 89 CO 0.04 0.22 0.01 -0.22 -2.57 0.00 0.00 177.10 174.57 1qpx s LEU 90 N -1.83 1.14 -0.08 0.60 2.96 -0.03 -1.60 118.68 119.83 1qpx s LEU 90 Ca 0.18 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1qpx s LEU 90 Cb -0.11 -0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.40 1qpx s LEU 90 CO 0.09 -0.11 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.24 1qpx s ARG 91 N 1.05 2.25 -0.17 1.98 3.52 0.14 -0.97 118.95 126.74 1qpx s ARG 91 Ca -0.09 -0.60 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1qpx s ARG 91 Cb -0.13 -1.78 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 1qpx s ARG 91 CO -0.02 0.08 0.14 -1.83 -0.81 0.00 0.00 175.30 172.85 1qpx s GLU 92 N 0.57 3.95 -0.27 5.12 -1.05 0.34 -0.73 118.70 126.63 1qpx s GLU 92 Ca -0.16 -0.19 -0.03 0.00 -0.15 0.00 0.00 54.97 54.44 1qpx s GLU 92 Cb -0.17 -3.35 0.02 0.00 -0.44 0.00 0.00 34.13 30.20 1qpx s GLU 92 CO 0.05 0.45 -0.01 0.42 0.95 0.00 0.00 175.26 177.13 1qpx s ILE 93 N -0.09 3.27 0.62 1.83 1.01 0.15 -3.53 121.20 124.47 1qpx s ILE 93 Ca 0.10 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 1qpx s ILE 93 Cb -0.11 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1qpx s ILE 93 CO -0.00 0.13 1.10 -2.16 0.00 0.00 0.00 174.94 174.01 1qpx s PRO 94 N 1.38 3.03 0.00 2.79 0.04 -1.26 -1.18 135.00 139.80 1qpx s PRO 94 Ca 0.01 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1qpx s PRO 94 Cb -0.17 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1qpx s PRO 94 CO -0.02 -1.06 0.12 -2.30 0.04 0.00 0.00 177.00 173.77 1qpx n PRO 95 N -2.14 0.20 -3.29 0.56 -0.02 -1.26 -4.92 135.00 124.14 1qpx n PRO 95 Ca 0.10 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.37 1qpx n PRO 95 Cb 0.52 -1.08 0.01 0.00 -0.02 0.00 0.00 33.50 32.93 1qpx n PRO 95 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1qpx n ILE 105 N 0.23 -2.48 -1.64 4.25 3.06 -1.26 -5.17 119.36 116.35 1qpx n ILE 105 Ca 0.00 0.01 -0.30 0.00 -2.50 0.00 0.00 62.75 59.96 1qpx n ILE 105 Cb 0.04 -2.22 0.07 0.00 0.54 0.00 0.00 39.64 38.06 1qpx n ILE 105 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1qpx s ALA 106 N -2.26 2.52 -0.04 1.51 0.00 -1.26 -5.08 121.76 117.15 1qpx s ALA 106 Ca 0.08 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1qpx s ALA 106 Cb -0.01 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1qpx s ALA 106 CO 0.65 -1.45 -0.19 -0.51 0.00 0.00 0.00 175.76 174.27 1qpx s LEU 107 N -5.61 2.47 -0.08 0.00 1.43 -1.23 -4.97 118.68 110.69 1qpx s LEU 107 Ca 0.59 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1qpx s LEU 107 Cb -0.13 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1qpx s LEU 107 CO 0.54 0.32 -0.14 0.00 0.23 0.00 0.00 176.35 177.30 1qpx s THR 109 N 0.71 2.63 -0.09 0.00 2.01 -0.15 -4.99 115.64 115.76 1qpx s THR 109 Ca -0.13 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 1qpx s THR 109 Cb -0.16 -2.00 0.03 0.00 0.01 0.00 0.00 72.50 70.38 1qpx s THR 109 CO 0.03 0.56 -0.00 -0.75 -0.69 0.00 0.00 174.62 173.77 1qpx s LYS 110 N -0.76 0.71 0.32 4.92 2.20 -1.26 -0.85 119.74 125.02 1qpx s LYS 110 Ca 0.11 0.00 0.09 0.00 -0.36 0.00 0.00 55.97 55.82 1qpx s LYS 110 Cb -0.10 -1.18 -0.05 0.00 -1.51 0.00 0.00 37.83 34.98 1qpx s LYS 110 CO 0.00 -0.34 -0.02 0.96 -0.36 0.00 0.00 175.35 175.59 1qpx s ILE 111 N 1.93 2.70 0.04 5.43 -4.36 -0.33 -4.97 121.20 121.64 1qpx s ILE 111 Ca 0.04 -2.03 -0.24 0.00 -0.26 0.00 0.00 60.65 58.16 1qpx s ILE 111 Cb -0.13 -2.74 -0.05 0.00 1.25 0.00 0.00 42.46 40.79 1qpx s ILE 111 CO -0.06 -0.25 0.75 -0.54 0.24 0.00 0.00 174.94 175.08 1qpx s LYS 112 N -3.68 4.48 -0.35 0.37 1.02 -1.26 -0.96 119.74 119.35 1qpx s LYS 112 Ca 0.34 1.03 -0.00 0.00 0.02 0.00 0.00 55.97 57.35 1qpx s LYS 112 Cb -0.01 -3.36 0.09 0.00 -0.52 0.00 0.00 37.83 34.03 1qpx s LYS 112 CO 0.19 0.30 0.09 -1.17 -0.92 0.00 0.00 175.35 173.84 1qpx s LEU 113 N -0.09 4.65 -0.17 3.17 2.96 0.11 -1.00 118.68 128.31 1qpx s LEU 113 Ca 0.38 -1.83 -0.21 0.00 -0.22 0.00 0.00 54.13 52.25 1qpx s LEU 113 Cb -0.20 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1qpx s LEU 113 CO 0.22 -0.40 0.60 -0.36 -1.32 0.00 0.00 176.35 175.10 1qpx s PHE 114 N 1.10 3.43 -0.38 5.38 0.40 0.11 -0.70 117.98 127.32 1qpx s PHE 114 Ca 0.04 0.95 -0.14 0.00 -0.60 0.00 0.00 56.93 57.19 1qpx s PHE 114 Cb -0.21 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 40.58 1qpx s PHE 114 CO -0.04 -0.07 0.27 -0.47 0.70 0.00 0.00 175.22 175.60 1qpx s TYR 115 N 1.52 3.23 -0.39 0.36 5.04 -0.01 0.11 117.35 127.21 1qpx s TYR 115 Ca 0.29 -0.42 -0.07 0.00 -2.44 0.00 0.00 57.07 54.43 1qpx s TYR 115 Cb -0.16 -2.53 0.08 0.00 0.35 0.00 0.00 41.96 39.70 1qpx s TYR 115 CO 0.11 -0.48 0.20 0.50 -1.34 0.00 0.00 175.55 174.54 1qpx s ARG 116 N 1.70 2.46 0.76 4.97 3.52 -0.47 -1.65 118.95 130.24 1qpx s ARG 116 Ca 0.05 -1.49 -0.15 0.00 -0.13 0.00 0.00 55.73 54.02 1qpx s ARG 116 Cb -0.18 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 1qpx s ARG 116 CO 0.10 -0.91 0.83 -2.30 -0.81 0.00 0.00 175.30 172.21 1qpx n PRO 117 N 4.80 0.31 0.12 5.12 -0.01 -1.26 -0.23 135.00 143.85 1qpx n PRO 117 Ca -0.09 0.16 0.09 0.00 -0.01 0.00 0.00 63.50 63.65 1qpx n PRO 117 Cb 0.43 -2.11 0.58 0.00 -0.01 0.00 0.00 33.50 32.38 1qpx n PRO 117 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1qpx h ALA 118 N -0.54 2.00 0.00 3.55 0.00 -1.90 -2.26 119.26 120.11 1qpx h ALA 118 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1qpx h ALA 118 Cb 1.33 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qpx h ALA 118 CO 0.44 -0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.58 1qpx h ALA 119 N 1.86 1.20 -0.20 0.00 0.00 -1.90 -1.69 119.26 118.52 1qpx h ALA 119 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1qpx h ALA 119 Cb 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1qpx h ALA 119 CO -0.02 0.09 -0.13 0.44 0.00 0.00 0.00 179.25 179.63 1qpx n ILE 120 N -3.46 2.32 -1.74 0.00 -5.35 -0.85 -5.01 119.36 105.26 1qpx n ILE 120 Ca -0.02 -2.59 -0.42 0.00 -0.27 0.00 0.00 62.75 59.45 1qpx n ILE 120 Cb 0.21 -0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 37.83 1qpx n ILE 120 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1qpx n LYS 121 N -1.05 2.55 -4.18 6.28 4.81 -0.64 -4.95 118.16 120.98 1qpx n LYS 121 Ca 0.25 0.90 -0.22 0.00 -0.87 0.00 0.00 58.31 58.37 1qpx n LYS 121 Cb 0.87 -2.63 -0.05 0.00 0.02 0.00 0.00 35.03 33.24 1qpx n LYS 121 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1qpx s THR 122 N -0.59 4.09 0.33 3.15 -4.23 -1.26 -5.11 115.64 112.02 1qpx s THR 122 Ca 0.59 -1.58 -0.27 0.00 -1.18 0.00 0.00 61.69 59.25 1qpx s THR 122 Cb -0.51 -3.21 -0.09 0.00 1.34 0.00 0.00 72.50 70.03 1qpx s THR 122 CO 0.56 -0.36 1.00 0.00 -0.54 0.00 0.00 174.62 175.29 1qpx s ARG 123 N -3.78 4.50 0.47 3.99 3.03 -1.26 -4.99 118.95 120.92 1qpx s ARG 123 Ca 0.32 1.49 0.19 0.00 2.03 0.00 0.00 55.73 59.77 1qpx s ARG 123 Cb -0.07 -2.85 1.19 0.00 -1.03 0.00 0.00 34.95 32.19 1qpx s ARG 123 CO 0.23 0.17 1.96 -1.00 -1.13 0.00 0.00 175.30 175.53 1qpx h PRO 124 N 3.21 0.24 -0.50 3.89 0.13 -2.06 -2.12 132.00 134.79 1qpx h PRO 124 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1qpx h PRO 124 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qpx h PRO 124 CO 0.65 0.16 0.00 -1.71 -0.23 0.00 0.00 178.00 176.86 1qpx n ASN 125 N -4.43 4.94 -4.71 1.44 4.05 -1.26 -4.96 115.26 110.32 1qpx n ASN 125 Ca 0.12 -2.82 -0.42 0.00 0.45 0.00 0.00 54.58 51.92 1qpx n ASN 125 Cb 0.55 -0.61 -0.03 0.00 1.23 0.00 0.00 39.78 40.92 1qpx n ASN 125 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1qpx s GLU 126 N -2.52 4.53 -0.08 1.20 2.12 -0.80 -5.06 118.70 118.09 1qpx s GLU 126 Ca 0.49 1.31 0.03 0.00 0.36 0.00 0.00 54.97 57.16 1qpx s GLU 126 Cb 0.37 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1qpx s GLU 126 CO 0.16 -0.04 -0.16 0.08 -0.54 0.00 0.00 175.26 174.76 1qpx s VAL 127 N 1.01 2.83 0.00 3.70 1.01 -1.26 -4.95 120.40 122.75 1qpx s VAL 127 Ca 0.49 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1qpx s VAL 127 Cb -0.20 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1qpx s VAL 127 CO 0.26 0.56 0.00 -2.67 0.00 0.00 0.00 175.10 173.25 1qpx n TRP 128 N 2.95 0.00 0.33 5.22 2.14 -1.26 -4.75 117.44 122.07 1qpx n TRP 128 Ca -0.18 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.47 1qpx n TRP 128 Cb 0.52 0.00 0.33 0.00 -0.81 0.00 0.00 31.31 31.35 1qpx n TRP 128 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1qpx n GLN 129 N -0.83 0.07 -0.03 -2.67 3.00 -1.26 -2.14 117.38 113.52 1qpx n GLN 129 Ca 0.00 0.39 0.02 0.00 -0.01 0.00 0.00 57.00 57.41 1qpx n GLN 129 Cb 0.00 -1.65 0.11 0.00 0.00 0.00 0.00 30.24 28.70 1qpx n GLN 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1qpx n ASP 130 N -1.78 0.31 -0.87 1.08 5.75 -1.26 -2.89 116.55 116.89 1qpx n ASP 130 Ca 0.02 -1.91 0.11 0.00 -0.01 0.00 0.00 54.79 52.99 1qpx n ASP 130 Cb 0.13 -0.04 0.10 0.00 -1.03 0.00 0.00 41.12 40.29 1qpx n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qpx n GLN 131 N -0.37 2.00 -2.00 0.11 6.02 -0.91 -4.43 117.38 117.79 1qpx n GLN 131 Ca 0.04 -1.82 -0.37 0.00 -0.01 0.00 0.00 57.00 54.84 1qpx n GLN 131 Cb 0.06 -1.41 0.03 0.00 1.02 0.00 0.00 30.24 29.93 1qpx n GLN 131 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qpx s LEU 132 N -1.70 3.78 -0.09 1.08 1.43 -1.14 -4.60 118.68 117.43 1qpx s LEU 132 Ca 0.26 2.46 0.03 0.00 -1.03 0.00 0.00 54.13 55.86 1qpx s LEU 132 Cb 0.18 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1qpx s LEU 132 CO 0.27 -1.46 -0.20 -0.63 0.23 0.00 0.00 176.35 174.55 1qpx s ILE 133 N -1.51 1.77 -0.19 -0.59 -1.09 -1.03 -4.43 121.20 114.13 1qpx s ILE 133 Ca 0.73 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1qpx s ILE 133 Cb -0.32 -1.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1qpx s ILE 133 CO 0.37 0.49 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.78 1qpx s LEU 134 N 0.45 3.11 -0.18 2.97 1.43 0.60 -1.58 118.68 125.48 1qpx s LEU 134 Ca -0.18 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1qpx s LEU 134 Cb -0.17 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1qpx s LEU 134 CO 0.07 0.08 -0.06 0.20 0.23 0.00 0.00 176.35 176.88 1qpx s ASN 135 N 0.88 4.43 -0.26 2.29 0.01 0.46 -0.09 114.94 122.66 1qpx s ASN 135 Ca -0.00 -0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 51.58 1qpx s ASN 135 Cb -0.15 -1.73 -0.02 0.00 0.41 0.00 0.00 41.25 39.77 1qpx s ASN 135 CO 0.01 0.09 1.58 -0.54 -1.51 0.00 0.00 177.10 176.73 1qpx s LYS 136 N 0.84 3.74 0.35 -0.60 1.02 0.38 0.27 119.74 125.73 1qpx s LYS 136 Ca -0.02 1.52 0.09 0.00 0.02 0.00 0.00 55.97 57.59 1qpx s LYS 136 Cb -0.15 -4.03 -0.07 0.00 -0.52 0.00 0.00 37.83 33.06 1qpx s LYS 136 CO 0.01 -1.36 -0.07 0.14 -0.92 0.00 0.00 175.35 173.15 1qpx s VAL 137 N 5.31 2.24 0.06 3.17 -7.23 -0.59 -4.91 120.40 118.46 1qpx s VAL 137 Ca 0.70 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1qpx s VAL 137 Cb -0.23 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.92 1qpx s VAL 137 CO 0.29 -0.18 1.89 -0.55 -0.31 0.00 0.00 175.10 176.25 1qpx s SER 138 N -3.63 6.46 0.00 4.85 0.15 -1.26 -1.16 113.70 119.11 1qpx s SER 138 Ca 0.33 2.67 0.00 0.00 0.70 0.00 0.00 55.95 59.65 1qpx s SER 138 Cb 0.03 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1qpx s SER 138 CO 0.17 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1qpx n GLY 139 N 4.39 0.77 0.00 9.45 0.00 -1.26 -4.91 105.19 113.63 1qpx n GLY 139 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1qpx n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpx n GLY 140 N -2.06 -0.47 2.93 -0.02 0.00 -0.31 -0.96 105.19 104.29 1qpx n GLY 140 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1qpx n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qpx s TYR 141 N -2.61 0.42 -0.43 1.61 1.51 -0.74 -1.55 117.35 115.55 1qpx s TYR 141 Ca 0.00 -0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 55.81 1qpx s TYR 141 Cb 0.00 -0.31 0.03 0.00 -0.11 0.00 0.00 41.96 41.57 1qpx s TYR 141 CO 0.00 -0.04 0.44 0.50 -1.11 0.00 0.00 175.55 175.34 1qpx s ARG 142 N 0.11 3.07 -0.18 -0.62 3.52 0.14 -1.50 118.95 123.50 1qpx s ARG 142 Ca -0.01 -0.86 -0.12 0.00 -0.13 0.00 0.00 55.73 54.61 1qpx s ARG 142 Cb -0.04 -4.00 -0.05 0.00 -1.56 0.00 0.00 34.95 29.30 1qpx s ARG 142 CO -0.00 -0.90 0.21 0.42 -0.81 0.00 0.00 175.30 174.22 1qpx s ILE 143 N 2.09 5.36 -0.11 4.11 1.01 0.75 -0.40 121.20 134.01 1qpx s ILE 143 Ca 0.11 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 1qpx s ILE 143 Cb -0.18 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1qpx s ILE 143 CO 0.12 0.42 -0.05 -1.61 0.00 0.00 0.00 174.94 173.83 1qpx s GLU 144 N 0.35 3.22 -0.61 2.79 2.02 -0.62 -1.50 118.70 124.35 1qpx s GLU 144 Ca 0.13 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.59 1qpx s GLU 144 Cb -0.12 -2.77 0.16 0.00 0.10 0.00 0.00 34.13 31.50 1qpx s GLU 144 CO 0.01 0.46 0.40 1.21 0.02 0.00 0.00 175.26 177.37 1qpx s ASN 145 N -0.25 4.99 0.00 -0.19 2.47 0.13 -2.47 114.94 119.62 1qpx s ASN 145 Ca 0.04 -2.95 0.14 0.00 0.42 0.00 0.00 52.86 50.50 1qpx s ASN 145 Cb -0.13 -1.79 0.81 0.00 -1.45 0.00 0.00 41.25 38.69 1qpx s ASN 145 CO 0.02 -0.32 1.29 -0.81 -3.72 0.00 0.00 177.10 173.57 1qpx n PRO 146 N 3.30 0.65 -2.88 0.43 -0.05 -1.26 -1.57 135.00 133.62 1qpx n PRO 146 Ca 0.08 0.00 -0.20 0.00 -0.05 0.00 0.00 63.50 63.33 1qpx n PRO 146 Cb 0.36 -1.33 0.02 0.00 -0.05 0.00 0.00 33.50 32.51 1qpx n PRO 146 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1qpx s THR 147 N -2.00 3.13 -2.05 0.52 -4.23 -1.26 -4.66 115.64 105.09 1qpx s THR 147 Ca 0.20 -0.76 0.11 0.00 -1.18 0.00 0.00 61.69 60.07 1qpx s THR 147 Cb 0.09 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 71.11 1qpx s THR 147 CO 0.16 -0.07 1.37 -0.81 -0.54 0.00 0.00 174.62 174.72 1qpx n PRO 148 N -2.10 1.26 -4.23 3.99 -0.04 -1.26 -0.83 135.00 131.79 1qpx n PRO 148 Ca 0.06 -0.41 -0.28 0.00 -0.04 0.00 0.00 63.50 62.84 1qpx n PRO 148 Cb 0.59 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.75 1qpx n PRO 148 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1qpx s TYR 149 N -1.88 2.76 0.30 0.54 1.51 -1.26 -1.55 117.35 117.76 1qpx s TYR 149 Ca 0.19 -0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.79 1qpx s TYR 149 Cb 0.09 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.47 1qpx s TYR 149 CO 0.14 0.49 1.26 0.71 -1.11 0.00 0.00 175.55 177.03 1qpx s TYR 150 N -1.54 3.21 -0.09 2.71 1.51 -1.26 -3.53 117.35 118.37 1qpx s TYR 150 Ca 0.25 1.46 0.02 0.00 -1.01 0.00 0.00 57.07 57.78 1qpx s TYR 150 Cb -0.10 -3.57 0.01 0.00 -0.11 0.00 0.00 41.96 38.20 1qpx s TYR 150 CO 0.16 -1.54 -0.13 0.08 -1.11 0.00 0.00 175.55 173.01 1qpx s VAL 151 N -0.96 1.27 -0.31 0.71 1.01 -0.62 -4.98 120.40 116.52 1qpx s VAL 151 Ca 0.49 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1qpx s VAL 151 Cb -0.37 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1qpx s VAL 151 CO 0.48 0.39 0.10 -0.89 0.00 0.00 0.00 175.10 175.18 1qpx s THR 152 N 0.87 4.03 -0.12 3.92 2.01 -1.26 -0.14 115.64 124.94 1qpx s THR 152 Ca -0.10 -0.76 -0.17 0.00 0.31 0.00 0.00 61.69 60.98 1qpx s THR 152 Cb -0.15 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1qpx s THR 152 CO 0.01 0.01 0.41 -0.69 -0.69 0.00 0.00 174.62 173.68 1qpx s VAL 153 N 1.50 5.22 -0.26 3.82 1.01 0.44 -3.08 120.40 129.05 1qpx s VAL 153 Ca 0.02 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.86 1qpx s VAL 153 Cb -0.18 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1qpx s VAL 153 CO 0.03 0.36 0.24 2.30 0.00 0.00 0.00 175.10 178.03 1qpx n ILE 154 N 3.53 0.00 -3.48 2.22 -5.35 0.46 -1.85 119.36 114.88 1qpx n ILE 154 Ca -0.09 -0.40 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 1qpx n ILE 154 Cb 0.52 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.39 1qpx n ILE 154 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qpx s GLY 155 N -1.33 -0.56 -0.17 3.28 0.00 -1.03 -4.49 107.32 103.03 1qpx s GLY 155 Ca 0.02 1.01 -0.12 0.00 0.00 0.00 0.00 44.72 45.62 1qpx s GLY 155 CO 0.17 0.57 0.44 -2.27 0.00 0.00 0.00 173.10 172.01 1qpx s LEU 156 N -1.96 0.08 0.00 0.66 2.96 -1.26 -0.89 118.68 118.27 1qpx s LEU 156 Ca -0.04 0.91 -0.06 0.00 -0.22 0.00 0.00 54.13 54.72 1qpx s LEU 156 Cb -0.01 1.47 0.02 0.00 0.50 0.00 0.00 46.19 48.17 1qpx s LEU 156 CO -0.02 -0.18 0.32 0.61 -1.32 0.00 0.00 176.35 175.76 1qpx n GLY 157 N 3.57 1.29 0.42 7.98 0.00 0.24 -4.57 105.19 114.12 1qpx n GLY 157 Ca -0.18 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1qpx n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpx n GLY 158 N -0.22 -0.17 3.32 -0.02 0.00 -1.26 -0.34 105.19 106.49 1qpx n GLY 158 Ca -0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1qpx n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qpx s SER 159 N -2.47 0.09 0.18 1.61 1.04 -1.26 -4.80 113.70 108.09 1qpx s SER 159 Ca 0.21 -1.11 -0.13 0.00 0.48 0.00 0.00 55.95 55.39 1qpx s SER 159 Cb 0.19 0.43 0.09 0.00 0.10 0.00 0.00 66.02 66.83 1qpx s SER 159 CO 0.55 -0.90 1.85 -0.08 0.98 0.00 0.00 173.24 175.64 1qpx h GLU 160 N 2.56 0.79 -0.20 4.02 4.81 -1.95 -1.77 114.58 122.82 1qpx h GLU 160 Ca -0.32 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1qpx h GLU 160 Cb 1.24 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 1qpx h GLU 160 CO 0.49 0.52 0.07 0.87 -0.73 0.00 0.00 179.01 180.23 1qpx h LYS 161 N 0.81 0.16 -0.15 1.92 1.57 -1.99 -2.74 116.57 116.14 1qpx h LYS 161 Ca 0.22 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1qpx h LYS 161 Cb -0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1qpx h LYS 161 CO -0.05 0.10 -0.32 0.37 -0.57 0.00 0.00 179.45 178.99 1qpx h GLN 162 N 0.16 0.30 -0.92 3.15 4.15 -1.87 0.46 115.11 120.54 1qpx h GLN 162 Ca 0.09 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1qpx h GLN 162 Cb 0.06 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 1qpx h GLN 162 CO -0.09 0.60 0.59 0.00 -1.93 0.00 0.00 178.83 178.00 1qpx h ALA 163 N 1.40 1.18 0.10 3.38 0.00 -1.11 0.24 119.26 124.44 1qpx h ALA 163 Ca 0.03 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 1qpx h ALA 163 Cb 0.70 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qpx h ALA 163 CO 0.05 0.60 -1.24 1.05 0.00 0.00 0.00 179.25 179.71 1qpx h GLU 164 N 1.26 0.21 0.11 0.00 4.11 -1.20 -3.37 114.58 115.71 1qpx h GLU 164 Ca 0.34 -0.36 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 1qpx h GLU 164 Cb -0.10 0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1qpx h GLU 164 CO -0.07 1.17 -0.81 0.93 0.07 0.00 0.00 179.01 180.30 1qpx h GLU 165 N -0.42 0.36 -6.67 1.06 5.08 -0.07 -3.47 114.58 110.44 1qpx h GLU 165 Ca -0.27 -0.53 -0.58 0.00 -1.00 0.00 0.00 59.36 56.98 1qpx h GLU 165 Cb 1.66 0.19 0.14 0.00 0.50 0.00 0.00 28.75 31.23 1qpx h GLU 165 CO 0.04 1.22 0.14 0.41 -1.00 0.00 0.00 179.01 179.83 1qpx n GLY 166 N 1.50 -0.26 3.66 -3.84 0.00 0.82 -4.95 105.19 102.12 1qpx n GLY 166 Ca -0.13 0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1qpx n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qpx s GLU 167 N -2.14 4.23 0.04 1.61 2.02 -1.26 -4.91 118.70 118.29 1qpx s GLU 167 Ca 0.65 0.92 0.05 0.00 0.02 0.00 0.00 54.97 56.61 1qpx s GLU 167 Cb -0.53 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.07 1qpx s GLU 167 CO 0.55 -0.40 -0.14 0.12 0.02 0.00 0.00 175.26 175.41 1qpx s PHE 168 N 2.41 1.25 -0.32 1.61 5.36 -1.26 -5.02 117.98 122.02 1qpx s PHE 168 Ca 0.35 -0.37 -0.29 0.00 -0.96 0.00 0.00 56.93 55.67 1qpx s PHE 168 Cb -0.16 -0.74 0.01 0.00 -0.34 0.00 0.00 43.02 41.79 1qpx s PHE 168 CO 0.10 0.04 1.19 -2.00 -1.46 0.00 0.00 175.22 173.09 1qpx s GLU 169 N -1.20 3.97 0.10 10.12 2.56 -1.26 -4.94 118.70 128.05 1qpx s GLU 169 Ca 0.01 1.13 -0.32 0.00 0.00 0.00 0.00 54.97 55.79 1qpx s GLU 169 Cb -0.08 -3.82 -0.12 0.00 2.00 0.00 0.00 34.13 32.11 1qpx s GLU 169 CO 0.01 -1.04 1.78 2.41 -0.56 0.00 0.00 175.26 177.86 1qpx n THR 170 N 6.10 0.29 -4.93 -1.70 -1.04 -1.26 -4.93 114.28 106.82 1qpx n THR 170 Ca 0.13 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.81 1qpx n THR 170 Cb 0.47 -1.93 -0.17 0.00 -1.82 0.00 0.00 70.33 66.88 1qpx n THR 170 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qpx s VAL 171 N 2.42 1.62 -0.28 12.58 0.11 -0.77 -5.00 120.40 131.08 1qpx s VAL 171 Ca 0.83 -0.78 -0.10 0.00 -2.93 0.00 0.00 61.98 59.00 1qpx s VAL 171 Cb -0.57 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 1qpx s VAL 171 CO 0.39 0.46 0.17 -0.32 -3.33 0.00 0.00 175.10 172.47 1qpx s MET 172 N 0.40 3.86 -0.16 1.54 1.75 -1.26 -0.42 119.30 125.01 1qpx s MET 172 Ca -0.15 -0.37 -0.13 0.00 -1.25 0.00 0.00 55.69 53.79 1qpx s MET 172 Cb -0.16 -3.60 -0.05 0.00 2.84 0.00 0.00 34.83 33.87 1qpx s MET 172 CO 0.06 -0.20 0.28 -0.51 -0.65 0.00 0.00 175.02 174.00 1qpx s LEU 173 N 1.73 4.25 0.71 4.11 1.43 0.80 -4.96 118.68 126.75 1qpx s LEU 173 Ca 0.07 0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.54 1qpx s LEU 173 Cb -0.16 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1qpx s LEU 173 CO 0.09 0.12 1.08 -0.44 0.23 0.00 0.00 176.35 177.43 1qpx s SER 174 N 0.40 4.97 0.25 2.29 0.01 -1.26 -1.59 113.70 118.76 1qpx s SER 174 Ca 0.16 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.92 1qpx s SER 174 Cb -0.13 -2.52 -0.15 0.00 0.21 0.00 0.00 66.02 63.43 1qpx s SER 174 CO 0.04 -1.72 1.04 -2.65 0.41 0.00 0.00 173.24 170.35 1qpx n PRO 175 N -3.07 1.23 -4.06 12.44 -0.02 -1.23 -3.21 135.00 137.09 1qpx n PRO 175 Ca 0.09 0.44 -0.28 0.00 -2.02 0.00 0.00 63.50 61.73 1qpx n PRO 175 Cb 0.53 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.14 1qpx n PRO 175 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qpx n ARG 176 N 1.10 -2.49 -2.76 -0.52 1.74 -0.01 -4.95 116.66 108.77 1qpx n ARG 176 Ca 0.12 0.31 -0.07 0.00 -0.77 0.00 0.00 57.85 57.43 1qpx n ARG 176 Cb 0.29 -4.20 -0.02 0.00 -1.02 0.00 0.00 32.46 27.51 1qpx n ARG 176 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qpx n SER 177 N -2.93 -0.37 -4.00 0.55 3.41 -0.79 -4.96 113.62 104.52 1qpx n SER 177 Ca -0.31 -1.82 -0.08 0.00 -0.26 0.00 0.00 58.87 56.39 1qpx n SER 177 Cb 0.69 0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 65.32 1qpx n SER 177 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1qpx s GLU 178 N -2.46 0.52 -0.09 4.33 -1.05 -1.26 0.17 118.70 118.86 1qpx s GLU 178 Ca 0.14 -0.88 -0.15 0.00 -0.15 0.00 0.00 54.97 53.93 1qpx s GLU 178 Cb 0.00 0.19 0.03 0.00 -0.44 0.00 0.00 34.13 33.92 1qpx s GLU 178 CO 0.10 -0.11 0.38 -0.65 0.95 0.00 0.00 175.26 175.93 1qpx s GLN 179 N -2.77 0.58 -0.16 -4.83 -0.21 -0.57 -4.98 119.66 106.72 1qpx s GLN 179 Ca -0.04 0.25 -0.06 0.00 0.02 0.00 0.00 55.36 55.53 1qpx s GLN 179 Cb -0.00 0.27 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 1qpx s GLN 179 CO -0.06 -0.12 0.04 0.99 -2.12 0.00 0.00 175.29 174.02 1qpx s THR 180 N -0.47 4.60 -0.03 -0.19 2.01 -1.26 -0.18 115.64 120.12 1qpx s THR 180 Ca -0.06 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1qpx s THR 180 Cb -0.04 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 1qpx s THR 180 CO 0.03 0.49 -0.21 0.68 -0.69 0.00 0.00 174.62 174.92 1qpx s VAL 181 N 0.18 1.66 0.24 3.82 -7.23 -0.56 -4.99 120.40 113.52 1qpx s VAL 181 Ca 0.03 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1qpx s VAL 181 Cb -0.13 -1.40 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 1qpx s VAL 181 CO 0.01 0.47 1.14 -1.59 -0.31 0.00 0.00 175.10 174.82 1qpx s LYS 182 N -0.31 4.57 -0.06 4.82 -2.85 -1.26 -1.80 119.74 122.85 1qpx s LYS 182 Ca 0.03 1.84 -0.31 0.00 -1.00 0.00 0.00 55.97 56.53 1qpx s LYS 182 Cb -0.10 -3.21 0.12 0.00 -2.06 0.00 0.00 37.83 32.58 1qpx s LYS 182 CO 0.01 0.08 1.20 0.45 0.10 0.00 0.00 175.35 177.18 1qpx s SER 183 N -0.43 -0.12 0.76 0.03 0.15 -0.13 -4.88 113.70 109.08 1qpx s SER 183 Ca 0.48 -0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.91 1qpx s SER 183 Cb -0.32 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.24 1qpx s SER 183 CO 0.39 -0.37 1.08 0.00 1.20 0.00 0.00 173.24 175.55 1qpx s ALA 184 N -2.57 2.38 -0.88 5.45 0.00 -1.26 -3.39 121.76 121.49 1qpx s ALA 184 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 1qpx s ALA 184 Cb 0.02 -3.16 0.14 0.00 0.00 0.00 0.00 23.12 20.12 1qpx s ALA 184 CO -0.04 -1.56 1.05 1.21 0.00 0.00 0.00 175.76 176.42 1qpx s ASN 185 N -3.78 6.59 0.25 0.00 3.04 -1.26 -4.87 114.94 114.92 1qpx s ASN 185 Ca 0.60 -2.03 -0.29 0.00 0.04 0.00 0.00 52.86 51.17 1qpx s ASN 185 Cb -0.15 -2.37 -0.09 0.00 -1.54 0.00 0.00 41.25 37.10 1qpx s ASN 185 CO 0.55 -1.02 0.94 -0.31 -3.04 0.00 0.00 177.10 174.21 1qpx s TYR 186 N 2.43 3.93 0.13 0.43 1.51 -1.26 -4.94 117.35 119.58 1qpx s TYR 186 Ca 0.29 1.88 -0.14 0.00 -1.01 0.00 0.00 57.07 58.09 1qpx s TYR 186 Cb -0.07 -2.96 -0.02 0.00 -0.11 0.00 0.00 41.96 38.79 1qpx s TYR 186 CO -0.07 0.41 1.54 -2.95 -1.11 0.00 0.00 175.55 173.37 1qpx h ASN 187 N 3.96 0.77 -3.71 2.29 -1.07 -1.95 -3.37 115.58 112.50 1qpx h ASN 187 Ca -0.45 -0.35 -0.62 0.00 0.07 0.00 0.00 56.30 54.94 1qpx h ASN 187 Cb 1.20 -0.21 -0.40 0.00 -2.07 0.00 0.00 38.32 36.84 1qpx h ASN 187 CO 0.67 0.94 -0.71 0.42 0.07 0.00 0.00 177.43 178.83 1qpx s THR 188 N -4.83 1.71 0.41 6.14 -4.23 -1.26 -4.36 115.64 109.22 1qpx s THR 188 Ca -0.13 -2.63 -0.24 0.00 -1.18 0.00 0.00 61.69 57.51 1qpx s THR 188 Cb 0.10 -2.20 -0.08 0.00 1.34 0.00 0.00 72.50 71.65 1qpx s THR 188 CO 0.81 -0.83 1.12 -2.16 -0.54 0.00 0.00 174.62 173.02 1qpx s PRO 189 N 0.34 4.04 -0.11 3.99 0.04 -1.25 -4.60 135.00 137.44 1qpx s PRO 189 Ca 0.16 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1qpx s PRO 189 Cb -0.24 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.74 1qpx s PRO 189 CO -0.02 -0.29 -0.22 0.71 0.04 0.00 0.00 177.00 177.22 1qpx s TYR 190 N -1.54 2.47 -0.03 0.56 1.51 0.53 -0.86 117.35 119.99 1qpx s TYR 190 Ca 0.59 -1.10 0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1qpx s TYR 190 Cb -0.26 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1qpx s TYR 190 CO 0.33 -0.48 -0.20 -1.17 -1.11 0.00 0.00 175.55 172.92 1qpx s LEU 191 N 0.57 2.01 -0.04 -1.29 1.98 0.63 -0.59 118.68 121.95 1qpx s LEU 191 Ca -0.14 -0.38 0.06 0.00 -2.89 0.00 0.00 54.13 50.78 1qpx s LEU 191 Cb -0.17 -1.07 -0.02 0.00 0.66 0.00 0.00 46.19 45.59 1qpx s LEU 191 CO 0.04 0.23 -0.21 -0.55 -1.89 0.00 0.00 176.35 173.97 1qpx s SER 192 N -0.31 3.48 0.32 3.68 0.15 -0.07 0.93 113.70 121.89 1qpx s SER 192 Ca 0.04 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.36 1qpx s SER 192 Cb -0.09 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 1qpx s SER 192 CO 0.00 0.31 0.14 -0.72 1.20 0.00 0.00 173.24 174.18 1qpx s TYR 193 N -0.56 1.67 -0.11 3.44 -0.85 -1.11 -0.41 117.35 119.41 1qpx s TYR 193 Ca 0.08 -1.29 -0.01 0.00 -0.52 0.00 0.00 57.07 55.32 1qpx s TYR 193 Cb -0.11 -0.96 -0.03 0.00 0.38 0.00 0.00 41.96 41.24 1qpx s TYR 193 CO 0.00 -0.41 -0.06 0.42 -1.52 0.00 0.00 175.55 173.98 1qpx s ILE 194 N -3.52 3.68 0.53 -3.49 1.01 -1.18 -3.10 121.20 115.15 1qpx s ILE 194 Ca 0.34 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1qpx s ILE 194 Cb 0.05 -2.56 0.10 0.00 0.01 0.00 0.00 42.46 40.06 1qpx s ILE 194 CO 0.16 0.54 0.73 -0.46 0.00 0.00 0.00 174.94 175.92 1qpx n ASN 195 N 2.97 1.33 0.29 3.58 0.23 -0.65 -4.65 115.26 118.37 1qpx n ASN 195 Ca -0.18 -2.04 0.15 0.00 -0.53 0.00 0.00 54.58 51.98 1qpx n ASN 195 Cb 0.53 -0.44 0.85 0.00 -2.08 0.00 0.00 39.78 38.64 1qpx n ASN 195 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1qpx h ASP 196 N -0.24 0.00 -0.16 0.53 3.45 -1.99 -2.14 116.42 115.87 1qpx h ASP 196 Ca -0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1qpx h ASP 196 Cb 0.98 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1qpx h ASP 196 CO 0.29 0.05 0.00 -1.22 -1.57 0.00 0.00 179.24 176.80 1qpx n TYR 197 N -3.67 0.20 -0.73 4.55 4.02 -1.26 -4.93 117.16 115.34 1qpx n TYR 197 Ca -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1qpx n TYR 197 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 1qpx n TYR 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qpx n GLY 198 N 1.21 0.77 3.82 2.72 0.00 -0.80 -5.05 105.19 107.86 1qpx n GLY 198 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1qpx n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qpx s GLY 199 N -1.84 2.10 -0.59 -0.02 0.00 -1.26 -4.83 107.32 100.88 1qpx s GLY 199 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 44.72 45.11 1qpx s GLY 199 CO 0.00 0.63 0.73 0.54 0.00 0.00 0.00 173.10 175.00 1qpx n ARG 200 N -1.89 2.28 -1.20 2.90 1.74 -1.26 -1.64 116.66 117.60 1qpx n ARG 200 Ca 0.08 -4.44 -0.33 0.00 -0.77 0.00 0.00 57.85 52.39 1qpx n ARG 200 Cb 0.53 -2.08 0.11 0.00 -1.02 0.00 0.00 32.46 30.01 1qpx n ARG 200 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1qpx s PRO 201 N -2.38 1.83 -0.13 5.56 0.02 -1.18 -4.79 135.00 133.93 1qpx s PRO 201 Ca 0.40 1.62 0.01 0.00 0.02 0.00 0.00 61.00 63.05 1qpx s PRO 201 Cb 0.17 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.90 1qpx s PRO 201 CO -0.04 -2.04 -0.14 0.08 -0.33 0.00 0.00 177.00 174.52 1qpx s VAL 202 N -2.30 1.54 0.08 3.83 1.01 -1.26 -2.77 120.40 120.53 1qpx s VAL 202 Ca 0.70 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1qpx s VAL 202 Cb -0.26 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1qpx s VAL 202 CO 0.50 0.45 0.26 -0.76 0.00 0.00 0.00 175.10 175.55 1qpx s LEU 203 N 1.33 4.33 -0.08 3.92 1.43 0.26 -4.92 118.68 124.95 1qpx s LEU 203 Ca 0.01 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1qpx s LEU 203 Cb -0.13 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1qpx s LEU 203 CO -0.08 0.14 -0.20 -0.94 0.23 0.00 0.00 176.35 175.51 1qpx s SER 204 N -2.43 3.47 0.16 2.29 1.04 -1.26 -0.27 113.70 116.70 1qpx s SER 204 Ca 0.36 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.42 1qpx s SER 204 Cb -0.13 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.82 1qpx s SER 204 CO 0.26 0.23 0.10 -0.36 0.98 0.00 0.00 173.24 174.45 1qpx s PHE 205 N -0.04 3.09 -0.15 5.02 0.40 -0.04 -2.06 117.98 124.20 1qpx s PHE 205 Ca -0.06 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1qpx s PHE 205 Cb -0.15 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.90 1qpx s PHE 205 CO 0.05 0.52 -0.20 0.42 0.70 0.00 0.00 175.22 176.71 1qpx s ILE 206 N -1.70 1.95 -0.28 0.64 -1.09 -0.55 -3.94 121.20 116.23 1qpx s ILE 206 Ca 0.30 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 57.72 1qpx s ILE 206 Cb -0.10 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.99 1qpx s ILE 206 CO 0.22 0.53 0.17 0.00 -1.23 0.00 0.00 174.94 174.63 1qpx s ASN 208 N 1.73 5.34 0.17 0.00 4.22 -1.00 -4.98 114.94 120.41 1qpx s ASN 208 Ca 0.07 -2.10 0.00 0.00 -2.14 0.00 0.00 52.86 48.68 1qpx s ASN 208 Cb -0.16 -1.86 0.00 0.00 1.28 0.00 0.00 41.25 40.51 1qpx s ASN 208 CO 0.10 -0.55 0.00 0.61 -2.04 0.00 0.00 177.10 175.21 1qpx n GLY 209 N 4.53 0.74 0.72 0.45 0.00 -1.26 -3.59 105.19 106.78 1qpx n GLY 209 Ca -0.02 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.89 1qpx n GLY 209 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qpx n SER 210 N 2.24 2.27 -4.53 1.61 3.41 -1.26 -4.88 113.62 112.47 1qpx n SER 210 Ca 0.00 -1.75 -0.38 0.00 -0.26 0.00 0.00 58.87 56.48 1qpx n SER 210 Cb 0.00 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1qpx n SER 210 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1qpx s ARG 211 N -2.01 3.77 -0.15 4.33 3.52 -1.24 -0.47 118.95 126.71 1qpx s ARG 211 Ca 0.33 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 1qpx s ARG 211 Cb 0.20 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1qpx s ARG 211 CO 0.32 -0.23 -0.11 0.00 -0.81 0.00 0.00 175.30 174.48 1qpx s SER 213 N 0.57 2.32 0.14 0.00 1.04 -0.77 -0.29 113.70 116.71 1qpx s SER 213 Ca -0.07 -1.26 -0.31 0.00 0.48 0.00 0.00 55.95 54.80 1qpx s SER 213 Cb -0.15 -0.08 -0.08 0.00 0.10 0.00 0.00 66.02 65.80 1qpx s SER 213 CO 0.03 -0.48 1.36 -0.69 0.98 0.00 0.00 173.24 174.44 1qpx s VAL 214 N -3.24 3.29 -0.07 5.02 1.01 -1.26 -1.48 120.40 123.67 1qpx s VAL 214 Ca 0.31 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1qpx s VAL 214 Cb 0.06 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1qpx s VAL 214 CO 0.12 0.10 0.02 2.29 0.00 0.00 0.00 175.10 177.63