#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpx s ARG 8 N 0.00 0.62 -0.06 -0.78 1.70 -1.26 -1.58 118.95 117.60 1qpx s ARG 8 Ca 0.00 1.06 0.02 0.00 -0.47 0.00 0.00 55.73 56.34 1qpx s ARG 8 Cb 0.00 0.12 0.01 0.00 -0.57 0.00 0.00 34.95 34.51 1qpx s ARG 8 CO 0.00 -0.14 -0.12 0.00 -1.08 0.00 0.00 175.30 173.96 1qpx s ALA 9 N 1.40 1.19 -0.20 7.88 0.00 -0.53 -4.97 121.76 126.54 1qpx s ALA 9 Ca -0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1qpx s ALA 9 Cb -0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1qpx s ALA 9 CO -0.15 0.13 0.09 0.08 0.00 0.00 0.00 175.76 175.90 1qpx s VAL 10 N 0.56 4.94 0.11 0.00 1.01 -1.26 -0.44 120.40 125.32 1qpx s VAL 10 Ca -0.12 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1qpx s VAL 10 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1qpx s VAL 10 CO 0.03 0.43 -0.08 0.72 0.00 0.00 0.00 175.10 176.20 1qpx s PHE 11 N 0.56 1.03 0.00 5.22 -0.12 -0.40 -4.96 117.98 119.31 1qpx s PHE 11 Ca 0.05 -0.82 0.00 0.00 -0.05 0.00 0.00 56.93 56.11 1qpx s PHE 11 Cb -0.13 -0.56 0.00 0.00 -0.63 0.00 0.00 43.02 41.70 1qpx s PHE 11 CO 0.01 -0.05 0.92 -0.40 -0.05 0.00 0.00 175.22 175.65 1qpx n ASP 12 N 0.01 1.74 0.00 1.98 3.85 -1.26 -0.29 116.55 122.59 1qpx n ASP 12 Ca -0.12 -1.85 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 1qpx n ASP 12 Cb 0.60 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 1qpx n ASP 12 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qpx n GLY 13 N -0.43 0.44 0.11 6.12 0.00 -1.26 -4.59 105.19 105.58 1qpx n GLY 13 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1qpx n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qpx h SER 14 N 0.00 0.00 -3.53 1.61 4.64 -1.99 -3.41 113.55 110.87 1qpx h SER 14 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1qpx h SER 14 Cb 0.16 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.09 1qpx h SER 14 CO 0.00 0.72 -0.54 -1.61 -0.87 0.00 0.00 176.83 174.53 1qpx s GLU 15 N -3.07 3.98 0.33 4.77 8.01 -1.26 -4.98 118.70 126.48 1qpx s GLU 15 Ca 0.01 -0.32 0.25 0.00 0.01 0.00 0.00 54.97 54.92 1qpx s GLU 15 Cb 0.10 -3.43 0.66 0.00 -4.31 0.00 0.00 34.13 27.15 1qpx s GLU 15 CO 0.77 0.07 1.72 0.87 0.01 0.00 0.00 175.26 178.70 1qpx h LYS 16 N 7.45 0.00 -3.87 1.61 1.79 -1.95 -3.45 116.57 118.15 1qpx h LYS 16 Ca -0.38 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.96 1qpx h LYS 16 Cb 1.17 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.64 1qpx h LYS 16 CO 0.65 0.00 -0.58 -1.12 -1.08 0.00 0.00 179.45 177.32 1qpx s SER 17 N -5.26 0.22 -0.09 0.86 0.01 -1.26 -1.80 113.70 106.38 1qpx s SER 17 Ca 0.08 -0.56 -0.12 0.00 1.31 0.00 0.00 55.95 56.67 1qpx s SER 17 Cb 0.09 0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1qpx s SER 17 CO 0.61 -0.46 0.31 -0.32 0.41 0.00 0.00 173.24 173.79 1qpx s MET 18 N -2.42 0.45 0.01 12.44 0.00 0.27 -4.98 119.30 125.06 1qpx s MET 18 Ca -0.07 0.26 0.06 0.00 0.00 0.00 0.00 55.69 55.94 1qpx s MET 18 Cb -0.02 0.21 -0.03 0.00 0.00 0.00 0.00 34.83 34.99 1qpx s MET 18 CO -0.04 -0.08 -0.17 0.95 0.00 0.00 0.00 175.02 175.68 1qpx s THR 19 N -0.25 2.88 -0.00 10.11 -4.23 -1.26 0.08 115.64 122.96 1qpx s THR 19 Ca -0.04 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1qpx s THR 19 Cb -0.03 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 1qpx s THR 19 CO 0.01 0.42 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.60 1qpx s LEU 20 N -1.21 2.70 -0.19 4.79 1.43 0.72 -4.95 118.68 121.97 1qpx s LEU 20 Ca 0.14 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 1qpx s LEU 20 Cb -0.11 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1qpx s LEU 20 CO 0.04 0.30 0.44 -1.81 0.23 0.00 0.00 176.35 175.54 1qpx s ASP 21 N -1.12 6.50 0.27 2.29 1.01 -1.26 -0.80 116.67 123.56 1qpx s ASP 21 Ca 0.14 0.59 0.11 0.00 0.71 0.00 0.00 52.55 54.10 1qpx s ASP 21 Cb -0.11 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1qpx s ASP 21 CO 0.03 -0.09 -0.14 0.27 0.21 0.00 0.00 175.17 175.44 1qpx s ILE 22 N 1.32 2.76 -0.03 0.77 -4.36 0.62 -4.96 121.20 117.32 1qpx s ILE 22 Ca 0.21 -2.24 -0.18 0.00 -0.26 0.00 0.00 60.65 58.18 1qpx s ILE 22 Cb -0.15 -2.45 0.03 0.00 1.25 0.00 0.00 42.46 41.14 1qpx s ILE 22 CO 0.09 -0.37 0.39 -0.94 0.24 0.00 0.00 174.94 174.34 1qpx s SER 23 N -3.50 -0.30 -0.67 4.36 1.04 -1.26 -0.87 113.70 112.50 1qpx s SER 23 Ca 0.30 0.27 -0.24 0.00 0.48 0.00 0.00 55.95 56.76 1qpx s SER 23 Cb -0.06 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1qpx s SER 23 CO 0.16 -0.45 1.04 0.21 0.98 0.00 0.00 173.24 175.17 1qpx s ASN 24 N -1.17 6.19 0.00 7.02 3.84 -0.79 -4.88 114.94 125.14 1qpx s ASN 24 Ca -0.12 -0.80 0.27 0.00 0.21 0.00 0.00 52.86 52.42 1qpx s ASN 24 Cb -0.04 -2.45 1.31 0.00 -0.55 0.00 0.00 41.25 39.52 1qpx s ASN 24 CO 0.05 -1.52 1.91 0.47 -2.79 0.00 0.00 177.10 175.23 1qpx n ASP 25 N 8.08 0.00 -4.66 -4.21 10.43 -1.26 -1.75 116.55 123.18 1qpx n ASP 25 Ca -0.02 0.08 -0.43 0.00 2.57 0.00 0.00 54.79 56.99 1qpx n ASP 25 Cb 0.46 -0.35 -0.02 0.00 1.84 0.00 0.00 41.12 43.05 1qpx n ASP 25 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1qpx s ASN 26 N -2.70 6.93 0.00 -2.24 3.04 -1.26 -4.85 114.94 113.86 1qpx s ASN 26 Ca 0.22 1.72 0.29 0.00 0.04 0.00 0.00 52.86 55.12 1qpx s ASN 26 Cb 0.18 -2.54 1.64 0.00 -1.54 0.00 0.00 41.25 38.99 1qpx s ASN 26 CO 0.44 -0.77 2.03 2.29 -3.04 0.00 0.00 177.10 178.05 1qpx n LYS 27 N 6.64 0.77 0.00 0.43 -0.00 -1.26 -3.00 118.16 121.73 1qpx n LYS 27 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1qpx n LYS 27 Cb 0.45 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 1qpx n LYS 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1qpx n GLN 28 N -1.08 0.66 -4.22 -1.58 6.02 -1.26 -4.88 117.38 111.05 1qpx n GLN 28 Ca 0.19 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.88 1qpx n GLN 28 Cb 0.13 -0.75 -0.09 0.00 1.02 0.00 0.00 30.24 30.55 1qpx n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qpx s LEU 29 N -3.50 3.23 0.49 1.08 1.43 -1.26 -4.88 118.68 115.27 1qpx s LEU 29 Ca 0.00 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.63 1qpx s LEU 29 Cb 0.00 -1.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.16 1qpx s LEU 29 CO 0.00 0.19 1.03 -2.16 0.23 0.00 0.00 176.35 175.64 1qpx s PRO 30 N -2.15 3.79 0.05 1.29 0.04 -1.26 -4.00 135.00 132.76 1qpx s PRO 30 Ca 0.23 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.62 1qpx s PRO 30 Cb -0.11 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1qpx s PRO 30 CO 0.15 -0.43 -0.11 0.71 0.04 0.00 0.00 177.00 177.36 1qpx s TYR 31 N -2.06 0.95 -0.04 0.56 4.12 0.21 -4.27 117.35 116.81 1qpx s TYR 31 Ca 0.66 -0.43 -0.14 0.00 0.02 0.00 0.00 57.07 57.19 1qpx s TYR 31 Cb -0.15 -0.55 -0.05 0.00 -1.52 0.00 0.00 41.96 39.68 1qpx s TYR 31 CO 0.21 -0.01 0.37 -0.51 0.02 0.00 0.00 175.55 175.64 1qpx s LEU 32 N -1.43 4.42 -0.30 -1.29 1.43 0.22 0.31 118.68 122.04 1qpx s LEU 32 Ca -0.04 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 1qpx s LEU 32 Cb -0.09 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.67 1qpx s LEU 32 CO 0.01 0.28 -0.01 0.00 0.23 0.00 0.00 176.35 176.86 1qpx s ALA 33 N -0.74 2.79 -0.09 4.21 0.00 0.69 -1.83 121.76 126.79 1qpx s ALA 33 Ca 0.22 -1.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 1qpx s ALA 33 Cb -0.16 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1qpx s ALA 33 CO 0.11 -1.28 0.38 -0.65 0.00 0.00 0.00 175.76 174.32 1qpx s GLN 34 N 1.22 4.14 -0.00 0.00 -0.21 0.22 -2.82 119.66 122.20 1qpx s GLN 34 Ca -0.05 0.30 0.06 0.00 0.02 0.00 0.00 55.36 55.69 1qpx s GLN 34 Cb -0.20 -3.35 -0.02 0.00 1.00 0.00 0.00 33.01 30.44 1qpx s GLN 34 CO -0.02 0.39 -0.19 0.00 -2.12 0.00 0.00 175.29 173.35 1qpx s ALA 35 N -0.06 1.61 0.17 6.09 0.00 0.25 -0.21 121.76 129.60 1qpx s ALA 35 Ca 0.22 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 1qpx s ALA 35 Cb -0.15 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1qpx s ALA 35 CO 0.09 0.39 0.70 1.67 0.00 0.00 0.00 175.76 178.60 1qpx s TRP 36 N -0.52 -0.39 0.04 0.00 -2.14 -0.34 -4.57 118.94 111.02 1qpx s TRP 36 Ca 0.07 0.12 0.02 0.00 2.66 0.00 0.00 56.10 58.98 1qpx s TRP 36 Cb -0.08 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.86 1qpx s TRP 36 CO -0.00 -0.90 0.04 0.42 -2.66 0.00 0.00 176.95 173.84 1qpx s ILE 37 N -3.67 4.35 0.14 0.66 -1.09 -1.26 -0.28 121.20 120.05 1qpx s ILE 37 Ca 0.05 -0.70 0.07 0.00 -2.23 0.00 0.00 60.65 57.84 1qpx s ILE 37 Cb -0.02 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1qpx s ILE 37 CO -0.06 0.24 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.11 1qpx s GLU 38 N -2.01 1.15 0.41 2.79 2.02 -0.07 -1.82 118.70 121.17 1qpx s GLU 38 Ca 0.25 -1.33 -0.07 0.00 0.02 0.00 0.00 54.97 53.84 1qpx s GLU 38 Cb -0.12 -1.11 0.10 0.00 0.10 0.00 0.00 34.13 33.09 1qpx s GLU 38 CO 0.16 0.22 0.56 0.27 0.02 0.00 0.00 175.26 176.50 1qpx n ASN 39 N 0.40 0.05 0.29 -0.19 0.23 -0.21 -0.62 115.26 115.21 1qpx n ASN 39 Ca -0.14 -1.21 0.17 0.00 -0.53 0.00 0.00 54.58 52.87 1qpx n ASN 39 Cb 0.57 -0.43 0.87 0.00 -2.08 0.00 0.00 39.78 38.71 1qpx n ASN 39 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1qpx h GLU 40 N 0.00 0.00 -0.08 -3.83 4.11 -1.83 0.13 114.58 113.09 1qpx h GLU 40 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1qpx h GLU 40 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1qpx h GLU 40 CO 0.13 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.35 1qpx n ASN 41 N -3.32 0.75 -2.31 3.06 3.02 -1.26 -4.94 115.26 110.26 1qpx n ASN 41 Ca -0.02 -1.56 -0.16 0.00 -0.03 0.00 0.00 54.58 52.81 1qpx n ASN 41 Cb 0.20 -0.05 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.28 -4.14 -4.11 3.52 6.02 0.46 -5.03 117.38 113.82 1qpx n GLN 42 Ca 0.15 0.60 -0.36 0.00 -0.01 0.00 0.00 57.00 57.38 1qpx n GLN 42 Cb 0.18 -4.86 -0.08 0.00 1.02 0.00 0.00 30.24 26.50 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 -5.54 3.33 0.26 -1.09 2.02 -1.26 -4.83 118.70 111.59 1qpx s GLU 43 Ca 0.28 -0.28 -0.31 0.00 0.02 0.00 0.00 54.97 54.68 1qpx s GLU 43 Cb -0.12 -3.02 -0.11 0.00 0.10 0.00 0.00 34.13 30.97 1qpx s GLU 43 CO 0.35 0.67 1.60 0.21 0.02 0.00 0.00 175.26 178.10 1qpx s LYS 44 N -0.74 4.15 -0.07 1.61 2.20 -1.26 -1.04 119.74 124.58 1qpx s LYS 44 Ca 0.12 2.54 0.03 0.00 -0.36 0.00 0.00 55.97 58.30 1qpx s LYS 44 Cb -0.12 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1qpx s LYS 44 CO 0.03 -0.63 -0.14 0.96 -0.36 0.00 0.00 175.35 175.20 1qpx s ILE 45 N 0.34 1.27 -0.10 5.43 -4.36 -0.76 -4.87 121.20 118.16 1qpx s ILE 45 Ca 0.66 -0.56 0.11 0.00 -0.26 0.00 0.00 60.65 60.60 1qpx s ILE 45 Cb -0.47 -1.15 0.18 0.00 1.25 0.00 0.00 42.46 42.27 1qpx s ILE 45 CO 0.43 0.38 1.10 2.30 0.24 0.00 0.00 174.94 179.39 1qpx n ILE 46 N 3.74 1.52 0.18 8.37 -0.00 -1.26 -4.47 119.36 127.44 1qpx n ILE 46 Ca -0.22 -1.72 0.04 0.00 -0.00 0.00 0.00 62.75 60.86 1qpx n ILE 46 Cb 0.52 0.08 0.07 0.00 -0.00 0.00 0.00 39.64 40.30 1qpx n ILE 46 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1qpx n THR 47 N -0.99 0.36 -0.32 7.28 5.66 -1.26 -5.10 114.28 119.91 1qpx n THR 47 Ca 0.10 -0.68 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 1qpx n THR 47 Cb 0.49 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 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 0.41 -3.02 0.57 1.09 0.00 -1.26 -4.95 105.19 98.03 1qpx n GLY 48 Ca 0.06 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.10 1.73 -5.11 1.61 -0.04 -1.26 -4.99 135.00 126.83 1qpx n PRO 49 Ca 0.00 -1.11 -0.30 0.00 -0.04 0.00 0.00 63.50 62.05 1qpx n PRO 49 Cb 0.00 -1.32 -0.17 0.00 -0.04 0.00 0.00 33.50 31.97 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 -1.67 1.87 0.30 0.52 1.01 -1.26 -0.76 120.40 120.41 1qpx s VAL 50 Ca 0.27 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1qpx s VAL 50 Cb 0.14 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 1qpx s VAL 50 CO 0.20 0.52 -0.07 0.27 0.00 0.00 0.00 175.10 176.03 1qpx s ILE 51 N 0.20 1.79 -0.05 2.22 -4.36 0.17 -4.87 121.20 116.30 1qpx s ILE 51 Ca -0.12 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.13 1qpx s ILE 51 Cb -0.16 -2.50 0.02 0.00 1.25 0.00 0.00 42.46 41.07 1qpx s ILE 51 CO 0.06 -0.27 -0.06 0.00 0.24 0.00 0.00 174.94 174.91 1qpx s ALA 52 N -2.91 0.79 0.13 2.27 0.00 -1.26 -1.42 121.76 119.35 1qpx s ALA 52 Ca 0.30 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1qpx s ALA 52 Cb 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1qpx s ALA 52 CO 0.13 0.01 -0.17 0.95 0.00 0.00 0.00 175.76 176.69 1qpx s THR 53 N 0.86 1.56 0.62 0.00 -4.23 0.19 -4.11 115.64 110.53 1qpx s THR 53 Ca -0.12 -1.72 -0.09 0.00 -1.18 0.00 0.00 61.69 58.58 1qpx s THR 53 Cb -0.15 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 1qpx s THR 53 CO 0.01 -0.30 0.99 -2.16 -0.54 0.00 0.00 174.62 172.62 1qpx s PRO 54 N -2.50 3.26 0.19 3.99 0.04 -1.26 0.38 135.00 139.10 1qpx s PRO 54 Ca 0.10 0.45 -0.13 0.00 0.04 0.00 0.00 61.00 61.46 1qpx s PRO 54 Cb -0.07 -2.14 0.13 0.00 0.04 0.00 0.00 34.50 32.46 1qpx s PRO 54 CO 0.04 -0.66 1.82 -1.35 0.04 0.00 0.00 177.00 176.89 1qpx h PRO 55 N -0.30 0.67 -4.58 0.56 0.11 -1.81 -3.40 132.00 123.25 1qpx h PRO 55 Ca -0.45 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.31 1qpx h PRO 55 Cb 1.22 -0.15 -0.24 0.00 0.11 0.00 0.00 31.00 31.94 1qpx h PRO 55 CO 0.62 0.44 -0.75 0.08 -0.21 0.00 0.00 178.00 178.19 1qpx s VAL 56 N -6.13 0.57 -0.16 3.15 1.01 -1.26 -0.59 120.40 116.99 1qpx s VAL 56 Ca -0.13 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1qpx s VAL 56 Cb 0.14 -0.58 0.12 0.00 0.00 0.00 0.00 36.38 36.05 1qpx s VAL 56 CO 0.75 -0.19 0.94 0.00 0.00 0.00 0.00 175.10 176.60 1qpx s GLN 57 N -1.11 0.67 -0.13 2.72 -2.07 -1.13 -4.97 119.66 113.64 1qpx s GLN 57 Ca -0.05 0.25 -0.17 0.00 -1.82 0.00 0.00 55.36 53.57 1qpx s GLN 57 Cb -0.07 0.32 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1qpx s GLN 57 CO 0.00 -0.19 0.44 0.50 -1.32 0.00 0.00 175.29 174.73 1qpx s ARG 58 N -0.89 4.31 -0.19 9.60 3.52 -1.26 -0.22 118.95 133.82 1qpx s ARG 58 Ca -0.03 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 1qpx s ARG 58 Cb -0.01 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1qpx s ARG 58 CO 0.02 0.15 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.97 1qpx s LEU 59 N 0.67 2.26 0.65 -0.88 1.43 0.15 -4.96 118.68 118.00 1qpx s LEU 59 Ca 0.24 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1qpx s LEU 59 Cb -0.15 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1qpx s LEU 59 CO 0.09 -0.04 1.04 -1.81 0.23 0.00 0.00 176.35 175.86 1qpx s ASP 60 N 1.30 5.86 -0.00 2.29 -0.00 -1.26 -0.62 116.67 124.23 1qpx s ASP 60 Ca 0.03 1.52 -0.37 0.00 -0.00 0.00 0.00 52.55 53.72 1qpx s ASP 60 Cb -0.14 -2.48 -0.16 0.00 -0.00 0.00 0.00 42.92 40.13 1qpx s ASP 60 CO -0.11 -1.12 1.44 -2.65 -0.00 0.00 0.00 175.17 172.73 1qpx n PRO 61 N -2.86 1.17 -0.59 8.23 -0.02 -1.26 -0.77 135.00 138.91 1qpx n PRO 61 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1qpx n PRO 61 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.95 1.07 3.79 -1.23 0.00 -0.71 -4.97 105.19 106.08 1qpx n GLY 62 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.80 3.27 0.17 4.61 0.00 0.05 -4.78 121.76 122.28 1qpx s ALA 63 Ca 0.00 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1qpx s ALA 63 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1qpx s ALA 63 CO 0.00 0.22 0.18 0.15 0.00 0.00 0.00 175.76 176.31 1qpx s LYS 64 N -2.03 3.03 0.04 0.00 -0.14 -1.26 -1.88 119.74 117.51 1qpx s LYS 64 Ca 0.48 -0.83 -0.03 0.00 -1.36 0.00 0.00 55.97 54.24 1qpx s LYS 64 Cb -0.18 -2.71 0.01 0.00 -1.68 0.00 0.00 37.83 33.27 1qpx s LYS 64 CO 0.23 0.48 0.14 0.45 -0.76 0.00 0.00 175.35 175.89 1qpx n SER 65 N -0.49 -0.31 -3.96 2.83 2.88 -0.05 -5.00 113.62 109.52 1qpx n SER 65 Ca -0.08 -1.19 -0.08 0.00 -1.33 0.00 0.00 58.87 56.18 1qpx n SER 65 Cb 0.55 0.52 -0.08 0.00 -0.75 0.00 0.00 64.21 64.44 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 -2.01 0.78 -0.07 -1.46 0.23 -1.26 -0.27 119.30 115.24 1qpx s MET 66 Ca 0.03 -1.08 0.04 0.00 -1.03 0.00 0.00 55.69 53.65 1qpx s MET 66 Cb -0.01 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 1qpx s MET 66 CO 0.01 -0.22 -0.19 0.08 -2.03 0.00 0.00 175.02 172.67 1qpx s VAL 67 N -3.90 2.56 -0.26 5.16 1.01 0.02 -4.67 120.40 120.33 1qpx s VAL 67 Ca 0.07 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1qpx s VAL 67 Cb 0.06 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1qpx s VAL 67 CO -0.10 0.57 0.11 -0.60 0.00 0.00 0.00 175.10 175.08 1qpx s ARG 68 N -0.19 3.76 -0.23 2.72 3.52 0.16 -0.20 118.95 128.49 1qpx s ARG 68 Ca -0.01 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.05 1qpx s ARG 68 Cb -0.13 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1qpx s ARG 68 CO 0.03 -0.18 0.20 -0.51 -0.81 0.00 0.00 175.30 174.03 1qpx s LEU 69 N 1.65 4.12 0.12 -0.88 1.43 0.11 -0.64 118.68 124.60 1qpx s LEU 69 Ca 0.07 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1qpx s LEU 69 Cb -0.15 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1qpx s LEU 69 CO 0.06 0.04 -0.13 -0.44 0.23 0.00 0.00 176.35 176.12 1qpx s SER 70 N 1.06 1.85 0.14 2.29 0.01 -0.51 -0.57 113.70 117.98 1qpx s SER 70 Ca 0.09 -0.81 0.02 0.00 1.31 0.00 0.00 55.95 56.56 1qpx s SER 70 Cb -0.14 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1qpx s SER 70 CO 0.05 -0.18 0.28 0.42 0.41 0.00 0.00 173.24 174.22 1qpx s THR 71 N -2.24 5.32 0.36 1.44 -4.23 -0.75 0.46 115.64 116.00 1qpx s THR 71 Ca 0.08 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 60.01 1qpx s THR 71 Cb -0.04 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 1qpx s THR 71 CO 0.02 -0.07 0.14 0.42 -0.54 0.00 0.00 174.62 174.59 1qpx s THR 72 N -1.72 2.82 0.59 3.99 -4.23 0.06 -4.90 115.64 112.24 1qpx s THR 72 Ca 0.35 -1.71 0.29 0.00 -1.18 0.00 0.00 61.69 59.43 1qpx s THR 72 Cb -0.11 -2.96 0.38 0.00 1.34 0.00 0.00 72.50 71.15 1qpx s THR 72 CO 0.28 -0.14 1.94 -0.65 -0.54 0.00 0.00 174.62 175.51 1qpx h PRO 73 N 1.53 0.00 0.00 3.99 0.11 -2.00 -2.36 132.00 133.28 1qpx h PRO 73 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qpx h PRO 73 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1qpx h PRO 73 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 1qpx n ASP 74 N -3.77 0.00 0.27 -2.05 8.00 -1.26 -2.71 116.55 115.04 1qpx n ASP 74 Ca 0.07 -0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.68 1qpx n ASP 74 Cb 0.60 -0.24 0.80 0.00 -0.02 0.00 0.00 41.12 42.27 1qpx n ASP 74 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1qpx h ILE 75 N 0.00 0.71 -0.00 0.53 6.09 -1.68 -1.50 117.51 121.66 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 0.12 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.39 1qpx h ILE 75 CO 0.00 0.00 -0.07 -1.54 -3.07 0.00 0.00 178.15 173.47 1qpx n SER 76 N -4.12 0.24 -0.16 2.19 3.41 -1.10 -2.82 113.62 111.26 1qpx n SER 76 Ca -0.03 -0.29 0.14 0.00 -0.26 0.00 0.00 58.87 58.43 1qpx n SER 76 Cb 0.10 -0.18 0.52 0.00 -0.26 0.00 0.00 64.21 64.40 1qpx n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qpx n LYS 77 N -1.16 0.72 -2.13 4.33 5.02 -0.56 -4.88 118.16 119.49 1qpx n LYS 77 Ca 0.13 -0.32 -0.32 0.00 -2.02 0.00 0.00 58.31 55.78 1qpx n LYS 77 Cb 0.27 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1qpx n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qpx s LEU 78 N -2.50 3.52 0.53 -0.35 1.43 -1.13 -4.99 118.68 115.19 1qpx s LEU 78 Ca 0.27 1.75 -0.21 0.00 -1.03 0.00 0.00 54.13 54.90 1qpx s LEU 78 Cb 0.20 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.82 1qpx s LEU 78 CO 0.50 -1.02 1.02 -2.65 0.23 0.00 0.00 176.35 174.43 1qpx n PRO 79 N -1.94 1.17 -0.12 1.29 -0.02 -1.26 -4.92 135.00 129.21 1qpx n PRO 79 Ca 0.08 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1qpx n PRO 79 Cb 0.53 -2.17 0.11 0.00 -0.02 0.00 0.00 33.50 31.95 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 -0.57 2.49 -0.09 -0.52 1.13 -1.26 -4.46 117.38 114.10 1qpx n GLN 80 Ca 0.11 -1.81 0.08 0.00 -1.94 0.00 0.00 57.00 53.44 1qpx n GLN 80 Cb 0.44 -1.21 0.11 0.00 0.11 0.00 0.00 30.24 29.69 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 0.37 2.11 -3.65 1.08 5.75 -1.26 -4.47 116.55 116.47 1qpx n ASP 81 Ca 0.09 -2.85 -0.09 0.00 -0.01 0.00 0.00 54.79 51.93 1qpx n ASP 81 Cb 0.37 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1qpx n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qpx s ARG 82 N -2.40 1.50 0.45 0.11 1.04 -1.26 -4.74 118.95 113.65 1qpx s ARG 82 Ca 0.25 -0.72 -0.21 0.00 -1.04 0.00 0.00 55.73 54.01 1qpx s ARG 82 Cb 0.22 0.58 -0.10 0.00 -2.04 0.00 0.00 34.95 33.61 1qpx s ARG 82 CO 0.02 -0.68 0.98 -1.21 -0.04 0.00 0.00 175.30 174.38 1qpx s GLU 83 N -3.78 4.06 0.08 3.89 2.02 -0.28 -4.63 118.70 120.05 1qpx s GLU 83 Ca 0.07 1.21 0.10 0.00 0.02 0.00 0.00 54.97 56.37 1qpx s GLU 83 Cb -0.03 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 1qpx s GLU 83 CO -0.02 -0.19 -0.26 -1.12 0.02 0.00 0.00 175.26 173.68 1qpx s SER 84 N -2.12 3.25 -0.06 -0.19 0.01 -0.87 -4.84 113.70 108.87 1qpx s SER 84 Ca 0.64 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 57.29 1qpx s SER 84 Cb -0.12 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 1qpx s SER 84 CO 0.16 0.23 -0.18 -0.22 0.41 0.00 0.00 173.24 173.64 1qpx s LEU 85 N -1.58 2.51 0.17 2.44 2.96 -1.26 -1.06 118.68 122.86 1qpx s LEU 85 Ca 0.13 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1qpx s LEU 85 Cb -0.10 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1qpx s LEU 85 CO 0.04 0.30 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.88 1qpx s PHE 86 N -0.47 1.53 -0.07 5.38 0.40 -0.21 -2.43 117.98 122.11 1qpx s PHE 86 Ca 0.06 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 1qpx s PHE 86 Cb -0.12 -0.74 -0.00 0.00 0.51 0.00 0.00 43.02 42.67 1qpx s PHE 86 CO 0.01 0.24 -0.22 0.71 0.70 0.00 0.00 175.22 176.67 1qpx s TYR 87 N -2.95 2.25 -0.18 0.36 1.51 0.21 -0.24 117.35 118.32 1qpx s TYR 87 Ca 0.19 -0.79 -0.14 0.00 -1.01 0.00 0.00 57.07 55.31 1qpx s TYR 87 Cb -0.00 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1qpx s TYR 87 CO 0.04 -0.30 0.31 0.12 -1.11 0.00 0.00 175.55 174.61 1qpx s PHE 88 N 0.16 3.43 -0.05 2.71 5.36 -0.23 -0.89 117.98 128.47 1qpx s PHE 88 Ca -0.11 0.57 0.06 0.00 -0.96 0.00 0.00 56.93 56.49 1qpx s PHE 88 Cb -0.15 -2.38 -0.01 0.00 -0.34 0.00 0.00 43.02 40.14 1qpx s PHE 88 CO 0.06 0.17 -0.23 -0.80 -1.46 0.00 0.00 175.22 172.95 1qpx s ASN 89 N 0.65 2.87 -0.10 6.13 -0.87 0.61 -1.12 114.94 123.12 1qpx s ASN 89 Ca 0.16 -0.48 0.02 0.00 -1.57 0.00 0.00 52.86 51.00 1qpx s ASN 89 Cb -0.13 -0.79 0.01 0.00 -0.02 0.00 0.00 41.25 40.32 1qpx s ASN 89 CO 0.05 0.23 -0.16 -0.22 -2.57 0.00 0.00 177.10 174.42 1qpx s LEU 90 N -0.12 1.76 -0.08 0.60 2.96 0.66 -1.19 118.68 123.26 1qpx s LEU 90 Ca -0.04 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1qpx s LEU 90 Cb -0.13 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.49 1qpx s LEU 90 CO 0.03 0.04 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.36 1qpx s ARG 91 N 0.83 2.00 -0.17 1.98 3.52 0.71 -0.20 118.95 127.62 1qpx s ARG 91 Ca -0.10 -0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1qpx s ARG 91 Cb -0.16 -1.64 0.00 0.00 -1.56 0.00 0.00 34.95 31.60 1qpx s ARG 91 CO 0.01 0.02 -0.15 -1.21 -0.81 0.00 0.00 175.30 173.17 1qpx s GLU 92 N 0.71 3.18 -0.02 5.12 2.02 0.16 -0.61 118.70 129.26 1qpx s GLU 92 Ca -0.13 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.14 1qpx s GLU 92 Cb -0.16 -2.68 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 1qpx s GLU 92 CO 0.03 -0.08 -0.11 0.42 0.02 0.00 0.00 175.26 175.54 1qpx s ILE 93 N 1.05 0.95 0.29 -1.63 1.09 -0.76 -0.81 121.20 121.39 1qpx s ILE 93 Ca -0.01 -0.48 -0.30 0.00 -1.10 0.00 0.00 60.65 58.77 1qpx s ILE 93 Cb -0.15 -0.81 -0.11 0.00 -1.06 0.00 0.00 42.46 40.33 1qpx s ILE 93 CO -0.04 0.28 1.58 -2.84 -0.10 0.00 0.00 174.94 173.82 1qpx s PRO 94 N -0.03 4.13 -0.10 2.79 0.02 -1.26 -0.61 135.00 139.94 1qpx s PRO 94 Ca 0.00 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.58 1qpx s PRO 94 Cb -0.07 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 1qpx s PRO 94 CO 0.00 -0.62 1.05 -0.35 -0.33 0.00 0.00 177.00 176.76 1qpx n PRO 95 N 2.10 0.32 -0.16 5.54 -0.04 -1.26 -4.85 135.00 136.65 1qpx n PRO 95 Ca 0.08 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1qpx n PRO 95 Cb 0.38 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1qpx n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1qpx n VAL 103 N 4.02 0.00 -3.01 0.52 0.31 -1.26 -5.11 118.33 113.80 1qpx n VAL 103 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.97 1qpx n VAL 103 Cb 0.06 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.93 1qpx n VAL 103 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1qpx s GLN 104 N 0.00 3.52 -0.19 5.55 -1.52 -1.26 -5.05 119.66 120.70 1qpx s GLN 104 Ca 0.00 -0.02 -0.03 0.00 -1.95 0.00 0.00 55.36 53.36 1qpx s GLN 104 Cb 0.00 -3.89 -0.01 0.00 -0.22 0.00 0.00 33.01 28.89 1qpx s GLN 104 CO 0.00 -0.97 -0.06 0.42 -0.25 0.00 0.00 175.29 174.43 1qpx s ILE 105 N 3.07 3.36 0.15 1.08 1.01 -1.26 -5.11 121.20 123.50 1qpx s ILE 105 Ca 0.28 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1qpx s ILE 105 Cb -0.13 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1qpx s ILE 105 CO 0.19 0.46 -0.05 0.00 0.00 0.00 0.00 174.94 175.54 1qpx s ALA 106 N 1.06 1.33 -0.16 9.38 0.00 -1.26 -4.75 121.76 127.36 1qpx s ALA 106 Ca 0.01 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 1qpx s ALA 106 Cb -0.15 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1qpx s ALA 106 CO -0.01 -0.21 0.41 -0.51 0.00 0.00 0.00 175.76 175.44 1qpx s LEU 107 N -3.15 4.22 -0.06 0.00 1.43 0.01 -4.90 118.68 116.23 1qpx s LEU 107 Ca 0.19 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1qpx s LEU 107 Cb 0.05 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.72 1qpx s LEU 107 CO 0.01 -0.02 -0.10 0.00 0.23 0.00 0.00 176.35 176.47 1qpx s THR 109 N 0.69 1.81 -0.04 0.00 2.01 0.73 -4.97 115.64 115.87 1qpx s THR 109 Ca -0.13 -1.34 -0.01 0.00 0.31 0.00 0.00 61.69 60.51 1qpx s THR 109 Cb -0.15 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1qpx s THR 109 CO 0.03 0.18 0.06 -1.59 -0.69 0.00 0.00 174.62 172.60 1qpx s LYS 110 N -1.39 -0.06 -0.09 4.92 -2.85 -1.26 -0.24 119.74 118.78 1qpx s LYS 110 Ca 0.09 0.32 -0.02 0.00 -1.00 0.00 0.00 55.97 55.35 1qpx s LYS 110 Cb -0.09 -0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 35.24 1qpx s LYS 110 CO 0.03 -0.27 0.01 0.42 0.10 0.00 0.00 175.35 175.64 1qpx s ILE 111 N 1.77 4.42 -0.12 3.79 1.01 -0.28 -4.94 121.20 126.85 1qpx s ILE 111 Ca -0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 1qpx s ILE 111 Cb -0.12 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1qpx s ILE 111 CO -0.03 0.61 0.53 -0.54 0.00 0.00 0.00 174.94 175.50 1qpx s LYS 112 N -0.90 4.34 -0.23 2.79 1.02 -0.61 -1.07 119.74 125.08 1qpx s LYS 112 Ca 0.13 0.54 -0.04 0.00 0.02 0.00 0.00 55.97 56.62 1qpx s LYS 112 Cb -0.11 -3.45 -0.00 0.00 -0.52 0.00 0.00 37.83 33.74 1qpx s LYS 112 CO 0.02 0.10 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.01 1qpx s LEU 113 N 0.78 2.97 -0.38 3.17 1.43 0.67 -1.45 118.68 125.87 1qpx s LEU 113 Ca 0.28 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1qpx s LEU 113 Cb -0.16 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1qpx s LEU 113 CO 0.12 -0.04 0.22 -0.36 0.23 0.00 0.00 176.35 176.51 1qpx s PHE 114 N 1.46 3.24 -0.43 0.29 0.40 0.42 -1.04 117.98 122.32 1qpx s PHE 114 Ca 0.05 -0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 55.23 1qpx s PHE 114 Cb -0.15 -2.46 0.02 0.00 0.51 0.00 0.00 43.02 40.94 1qpx s PHE 114 CO -0.03 -0.62 1.26 -0.47 0.70 0.00 0.00 175.22 176.06 1qpx s TYR 115 N 1.58 2.64 -0.36 0.36 5.04 -0.23 -1.27 117.35 125.12 1qpx s TYR 115 Ca 0.03 0.73 -0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1qpx s TYR 115 Cb -0.19 -4.32 0.09 0.00 0.35 0.00 0.00 41.96 37.89 1qpx s TYR 115 CO 0.07 -1.58 0.10 0.50 -1.34 0.00 0.00 175.55 173.29 1qpx s ARG 116 N 4.61 1.95 0.50 4.97 3.52 0.60 -2.06 118.95 133.04 1qpx s ARG 116 Ca 0.54 -1.70 -0.23 0.00 -0.13 0.00 0.00 55.73 54.21 1qpx s ARG 116 Cb -0.11 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 1qpx s ARG 116 CO 0.31 -0.91 1.31 -2.30 -0.81 0.00 0.00 175.30 172.90 1qpx n PRO 117 N 4.49 1.79 0.30 5.12 -0.02 -1.26 -4.13 135.00 141.28 1qpx n PRO 117 Ca -0.03 0.65 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 1qpx n PRO 117 Cb 0.42 -2.49 0.92 0.00 -0.02 0.00 0.00 33.50 32.33 1qpx n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qpx h ALA 118 N 1.69 1.49 -0.73 3.55 0.00 -1.89 -0.56 119.26 122.81 1qpx h ALA 118 Ca -0.50 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.54 1qpx h ALA 118 Cb 1.30 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1qpx h ALA 118 CO 0.58 0.01 0.48 0.00 0.00 0.00 0.00 179.25 180.32 1qpx h ALA 119 N 1.99 2.04 -0.42 0.00 0.00 -1.90 -2.10 119.26 118.87 1qpx h ALA 119 Ca -0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1qpx h ALA 119 Cb 0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 1qpx h ALA 119 CO 0.00 -0.22 -0.00 0.44 0.00 0.00 0.00 179.25 179.47 1qpx n ILE 120 N -4.48 2.62 -1.83 0.00 -5.35 -0.22 -5.04 119.36 105.05 1qpx n ILE 120 Ca 0.13 -2.64 -0.39 0.00 -0.27 0.00 0.00 62.75 59.58 1qpx n ILE 120 Cb 0.46 -0.33 0.02 0.00 -1.74 0.00 0.00 39.64 38.05 1qpx n ILE 120 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1qpx s LYS 121 N -3.24 3.60 0.46 6.28 2.20 -0.79 -4.92 119.74 123.33 1qpx s LYS 121 Ca 0.46 2.34 0.08 0.00 -0.36 0.00 0.00 55.97 58.49 1qpx s LYS 121 Cb 0.41 -2.58 0.02 0.00 -1.51 0.00 0.00 37.83 34.17 1qpx s LYS 121 CO 0.01 -0.86 0.56 0.95 -0.36 0.00 0.00 175.35 175.66 1qpx s THR 122 N -1.23 2.63 -0.01 3.43 -4.23 -1.26 -5.11 115.64 109.85 1qpx s THR 122 Ca 0.63 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1qpx s THR 122 Cb -0.42 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1qpx s THR 122 CO 0.53 0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.78 1qpx s ARG 123 N -4.37 3.37 0.51 3.99 3.03 -1.26 -5.02 118.95 119.20 1qpx s ARG 123 Ca 0.53 -0.35 0.22 0.00 2.03 0.00 0.00 55.73 58.17 1qpx s ARG 123 Cb -0.07 -3.06 1.31 0.00 -1.03 0.00 0.00 34.95 32.11 1qpx s ARG 123 CO 0.32 0.67 2.01 -1.35 -1.13 0.00 0.00 175.30 175.83 1qpx h PRO 124 N 3.90 0.08 -1.78 3.89 0.11 -2.06 -2.80 132.00 133.34 1qpx h PRO 124 Ca -0.49 -0.00 -0.70 0.00 0.11 0.00 0.00 66.00 64.91 1qpx h PRO 124 Cb 1.19 -0.02 -0.26 0.00 0.11 0.00 0.00 31.00 32.02 1qpx h PRO 124 CO 0.67 0.05 0.92 0.09 -0.21 0.00 0.00 178.00 179.52 1qpx n ASN 125 N -4.42 7.40 -3.82 -2.05 4.13 -1.26 -4.89 115.26 110.35 1qpx n ASN 125 Ca 0.08 -3.72 -0.23 0.00 1.68 0.00 0.00 54.58 52.40 1qpx n ASN 125 Cb 0.51 -1.07 -0.17 0.00 -1.54 0.00 0.00 39.78 37.50 1qpx n ASN 125 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1qpx s GLU 126 N -3.64 0.81 -0.50 3.52 2.12 -1.06 -5.11 118.70 114.86 1qpx s GLU 126 Ca 0.55 -0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.84 1qpx s GLU 126 Cb 0.44 -1.03 0.13 0.00 0.26 0.00 0.00 34.13 33.93 1qpx s GLU 126 CO -0.30 -0.24 0.30 0.08 -0.54 0.00 0.00 175.26 174.57 1qpx s VAL 127 N 1.65 3.46 -0.37 3.70 1.01 -1.26 -4.92 120.40 123.68 1qpx s VAL 127 Ca 0.01 -2.42 0.27 0.00 0.00 0.00 0.00 61.98 59.84 1qpx s VAL 127 Cb -0.13 -3.33 0.32 0.00 0.00 0.00 0.00 36.38 33.25 1qpx s VAL 127 CO -0.04 -0.77 1.78 4.11 0.00 0.00 0.00 175.10 180.18 1qpx h TRP 128 N 7.64 0.00 0.00 5.22 0.09 -1.99 -3.18 115.95 123.74 1qpx h TRP 128 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.89 1qpx h TRP 128 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.25 1qpx h TRP 128 CO 0.61 0.00 0.00 1.04 0.09 0.00 0.00 178.44 180.18 1qpx n GLN 129 N -2.72 0.10 -0.16 0.12 3.00 -1.26 -1.99 117.38 114.48 1qpx n GLN 129 Ca 0.03 0.17 0.03 0.00 -0.01 0.00 0.00 57.00 57.22 1qpx n GLN 129 Cb 0.38 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 29.22 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 -1.41 1.55 -1.05 1.08 5.68 -1.20 -3.11 116.55 118.10 1qpx n ASP 130 Ca 0.06 -2.09 0.11 0.00 -0.50 0.00 0.00 54.79 52.36 1qpx n ASP 130 Cb 0.18 -0.28 0.20 0.00 -1.14 0.00 0.00 41.12 40.07 1qpx n ASP 130 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qpx n GLN 131 N 0.14 2.38 -2.17 0.11 6.02 -0.84 -4.43 117.38 118.58 1qpx n GLN 131 Ca 0.07 -2.18 -0.39 0.00 -0.01 0.00 0.00 57.00 54.49 1qpx n GLN 131 Cb 0.30 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.36 4.20 -0.04 1.08 1.43 -1.18 -4.58 118.68 118.23 1qpx s LEU 132 Ca 0.35 2.51 0.07 0.00 -1.03 0.00 0.00 54.13 56.02 1qpx s LEU 132 Cb 0.20 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1qpx s LEU 132 CO 0.28 -0.77 -0.25 -0.63 0.23 0.00 0.00 176.35 175.21 1qpx s ILE 133 N -1.33 1.99 -0.19 -0.59 -1.09 -0.93 -4.16 121.20 114.90 1qpx s ILE 133 Ca 0.57 -1.05 -0.06 0.00 -2.23 0.00 0.00 60.65 57.88 1qpx s ILE 133 Cb -0.35 -1.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 1qpx s ILE 133 CO 0.44 0.56 0.03 -0.76 -1.23 0.00 0.00 174.94 173.98 1qpx s LEU 134 N -0.37 3.53 -0.21 2.97 1.43 0.31 -0.95 118.68 125.38 1qpx s LEU 134 Ca 0.03 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1qpx s LEU 134 Cb -0.12 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1qpx s LEU 134 CO 0.01 0.12 0.04 0.20 0.23 0.00 0.00 176.35 176.95 1qpx s ASN 135 N 0.67 5.16 -0.29 2.29 0.01 0.03 0.01 114.94 122.82 1qpx s ASN 135 Ca 0.01 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.75 1qpx s ASN 135 Cb -0.14 -1.90 0.01 0.00 0.41 0.00 0.00 41.25 39.63 1qpx s ASN 135 CO 0.02 0.07 1.20 -0.54 -1.51 0.00 0.00 177.10 176.34 1qpx s LYS 136 N 0.99 4.01 0.26 -0.60 1.02 0.33 -0.94 119.74 124.81 1qpx s LYS 136 Ca 0.03 1.21 0.06 0.00 0.02 0.00 0.00 55.97 57.29 1qpx s LYS 136 Cb -0.14 -3.81 -0.06 0.00 -0.52 0.00 0.00 37.83 33.31 1qpx s LYS 136 CO 0.02 -0.98 -0.05 0.14 -0.92 0.00 0.00 175.35 173.57 1qpx s VAL 137 N 3.97 1.45 -0.05 3.17 -7.23 -0.72 -4.94 120.40 116.05 1qpx s VAL 137 Ca 0.51 -2.10 -0.36 0.00 -1.81 0.00 0.00 61.98 58.22 1qpx s VAL 137 Cb -0.15 -2.39 -0.14 0.00 0.56 0.00 0.00 36.38 34.25 1qpx s VAL 137 CO 0.19 -0.33 1.65 -0.24 -0.31 0.00 0.00 175.10 176.06 1qpx n SER 138 N -0.52 2.65 -0.00 4.85 2.88 -1.26 -1.45 113.62 120.76 1qpx n SER 138 Ca -0.06 1.06 -0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1qpx n SER 138 Cb 0.63 -1.27 -0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1qpx n SER 138 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qpx n GLY 139 N 3.70 0.41 0.00 0.46 0.00 -1.26 -4.85 105.19 103.65 1qpx n GLY 139 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.26 -0.35 3.01 -0.02 0.00 -0.53 -1.56 105.19 103.49 1qpx n GLY 140 Ca -0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.02 0.49 -0.39 1.61 1.51 -0.50 -1.76 117.35 115.29 1qpx s TYR 141 Ca 0.00 -0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 55.55 1qpx s TYR 141 Cb 0.00 -0.31 0.06 0.00 -0.11 0.00 0.00 41.96 41.60 1qpx s TYR 141 CO 0.00 -0.10 0.21 0.50 -1.11 0.00 0.00 175.55 175.05 1qpx s ARG 142 N -1.26 2.65 -0.15 -0.62 3.52 -0.12 0.13 118.95 123.11 1qpx s ARG 142 Ca -0.09 -1.31 -0.22 0.00 -0.13 0.00 0.00 55.73 53.97 1qpx s ARG 142 Cb -0.08 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 1qpx s ARG 142 CO -0.00 -0.83 0.68 0.42 -0.81 0.00 0.00 175.30 174.77 1qpx s ILE 143 N 1.45 5.01 -0.17 4.11 1.01 0.03 -0.79 121.20 131.85 1qpx s ILE 143 Ca 0.02 1.35 -0.08 0.00 0.00 0.00 0.00 60.65 61.93 1qpx s ILE 143 Cb -0.21 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1qpx s ILE 143 CO 0.03 0.15 0.10 -1.61 0.00 0.00 0.00 174.94 173.62 1qpx s GLU 144 N 1.53 3.94 -0.57 2.79 2.02 -0.12 -1.69 118.70 126.60 1qpx s GLU 144 Ca 0.33 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 55.06 1qpx s GLU 144 Cb -0.16 -3.28 0.15 0.00 0.10 0.00 0.00 34.13 30.93 1qpx s GLU 144 CO 0.13 0.39 0.36 1.21 0.02 0.00 0.00 175.26 177.37 1qpx s ASN 145 N 0.06 5.03 0.00 -0.19 2.47 0.10 -2.18 114.94 120.23 1qpx s ASN 145 Ca 0.08 -2.76 0.18 0.00 0.42 0.00 0.00 52.86 50.78 1qpx s ASN 145 Cb -0.12 -1.80 1.07 0.00 -1.45 0.00 0.00 41.25 38.95 1qpx s ASN 145 CO -0.00 -0.36 1.59 -0.81 -3.72 0.00 0.00 177.10 173.79 1qpx n PRO 146 N 3.57 0.85 -2.54 0.43 -0.04 -1.26 -0.95 135.00 135.06 1qpx n PRO 146 Ca 0.06 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.29 1qpx n PRO 146 Cb 0.37 -1.33 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1qpx n PRO 146 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1qpx s THR 147 N -2.00 2.82 -1.76 0.52 -4.23 -1.26 -4.59 115.64 105.14 1qpx s THR 147 Ca 0.27 -0.47 0.30 0.00 -1.18 0.00 0.00 61.69 60.61 1qpx s THR 147 Cb 0.12 -3.11 0.73 0.00 1.34 0.00 0.00 72.50 71.59 1qpx s THR 147 CO 0.21 -0.09 2.12 -2.65 -0.54 0.00 0.00 174.62 173.66 1qpx n PRO 148 N -2.49 0.74 -4.16 3.99 -0.02 -1.26 -0.12 135.00 131.67 1qpx n PRO 148 Ca 0.07 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.28 1qpx n PRO 148 Cb 0.59 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1qpx n PRO 148 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1qpx s TYR 149 N -2.24 2.94 0.39 6.00 1.51 -1.26 -1.13 117.35 123.56 1qpx s TYR 149 Ca 0.39 -0.09 -0.27 0.00 -1.01 0.00 0.00 57.07 56.09 1qpx s TYR 149 Cb 0.21 -1.44 -0.09 0.00 -0.11 0.00 0.00 41.96 40.52 1qpx s TYR 149 CO 0.40 0.51 1.34 0.71 -1.11 0.00 0.00 175.55 177.40 1qpx s TYR 150 N -1.63 2.81 -0.15 2.71 1.51 -1.26 -3.74 117.35 117.60 1qpx s TYR 150 Ca 0.28 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.70 1qpx s TYR 150 Cb -0.10 -3.75 0.03 0.00 -0.11 0.00 0.00 41.96 38.03 1qpx s TYR 150 CO 0.19 -2.24 -0.10 0.08 -1.11 0.00 0.00 175.55 172.37 1qpx s VAL 151 N -1.21 1.32 -0.45 0.71 1.01 0.05 -4.98 120.40 116.86 1qpx s VAL 151 Ca 0.55 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 1qpx s VAL 151 Cb -0.40 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.67 1qpx s VAL 151 CO 0.53 0.33 0.55 -0.89 0.00 0.00 0.00 175.10 175.62 1qpx s THR 152 N 1.57 4.94 -0.09 3.92 2.01 -1.26 -0.40 115.64 126.33 1qpx s THR 152 Ca 0.03 -0.21 -0.14 0.00 0.31 0.00 0.00 61.69 61.69 1qpx s THR 152 Cb -0.14 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1qpx s THR 152 CO -0.09 -0.57 0.35 -0.69 -0.69 0.00 0.00 174.62 172.93 1qpx s VAL 153 N 2.50 5.21 0.00 3.82 1.01 0.44 -1.81 120.40 131.56 1qpx s VAL 153 Ca 0.17 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1qpx s VAL 153 Cb -0.16 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1qpx s VAL 153 CO 0.15 0.47 0.00 -0.38 0.00 0.00 0.00 175.10 175.34 1qpx n ILE 154 N 2.80 0.00 -4.21 2.22 5.41 0.72 -1.75 119.36 124.55 1qpx n ILE 154 Ca -0.13 0.18 -0.28 0.00 1.00 0.00 0.00 62.75 63.52 1qpx n ILE 154 Cb 0.52 -1.14 -0.08 0.00 -0.71 0.00 0.00 39.64 38.23 1qpx n ILE 154 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1qpx s GLY 155 N -1.69 1.77 -0.06 7.39 0.00 -1.20 -3.06 107.32 110.46 1qpx s GLY 155 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1qpx s GLY 155 CO 0.00 -1.33 -0.03 -2.27 0.00 0.00 0.00 173.10 169.47 1qpx s LEU 156 N -2.70 1.06 0.00 0.66 2.96 -1.26 -1.01 118.68 118.39 1qpx s LEU 156 Ca 0.26 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1qpx s LEU 156 Cb -0.10 -0.50 0.03 0.00 0.50 0.00 0.00 46.19 46.12 1qpx s LEU 156 CO 0.17 -0.11 0.57 0.61 -1.32 0.00 0.00 176.35 176.27 1qpx n GLY 157 N 4.54 1.68 0.96 7.98 0.00 -0.41 -4.72 105.19 115.22 1qpx n GLY 157 Ca -0.17 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.50 1.24 3.38 -0.02 0.00 -1.26 -1.27 105.19 106.75 1qpx n GLY 158 Ca -0.03 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.53 -0.41 0.26 1.61 1.04 -1.26 -4.66 113.70 108.76 1qpx s SER 159 Ca 0.36 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 1qpx s SER 159 Cb 0.21 0.50 0.51 0.00 0.10 0.00 0.00 66.02 67.35 1qpx s SER 159 CO 0.30 -0.79 1.78 -0.08 0.98 0.00 0.00 173.24 175.43 1qpx h GLU 160 N 2.57 0.70 0.19 4.02 4.81 -1.92 -1.68 114.58 123.27 1qpx h GLU 160 Ca -0.32 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1qpx h GLU 160 Cb 1.24 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1qpx h GLU 160 CO 0.42 0.46 -0.28 0.87 -0.73 0.00 0.00 179.01 179.76 1qpx h LYS 161 N 0.72 -0.51 -0.69 1.92 1.57 -1.98 0.16 116.57 117.76 1qpx h LYS 161 Ca 0.46 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 1qpx h LYS 161 Cb 0.58 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1qpx h LYS 161 CO -0.32 -0.34 0.40 0.37 -0.57 0.00 0.00 179.45 178.98 1qpx h GLN 162 N -0.53 0.94 -0.32 3.15 4.15 -1.83 -1.22 115.11 119.45 1qpx h GLN 162 Ca 0.01 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 1qpx h GLN 162 Cb 0.52 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1qpx h GLN 162 CO -0.11 0.68 -0.29 0.00 -1.93 0.00 0.00 178.83 177.17 1qpx h ALA 163 N 1.48 0.89 0.00 3.38 0.00 -1.06 -3.11 119.26 120.84 1qpx h ALA 163 Ca 0.25 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1qpx h ALA 163 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1qpx h ALA 163 CO -0.04 0.63 -0.32 1.05 0.00 0.00 0.00 179.25 180.56 1qpx h GLU 164 N 0.58 0.00 -0.09 0.00 4.11 0.15 -3.18 114.58 116.14 1qpx h GLU 164 Ca 0.07 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.42 1qpx h GLU 164 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1qpx h GLU 164 CO 0.06 0.32 -0.33 0.93 0.07 0.00 0.00 179.01 180.07 1qpx h GLU 165 N 0.00 0.18 -6.06 1.06 5.08 -1.23 -3.46 114.58 110.16 1qpx h GLU 165 Ca -0.00 -0.07 -0.78 0.00 -1.00 0.00 0.00 59.36 57.51 1qpx h GLU 165 Cb 0.74 -0.01 0.04 0.00 0.50 0.00 0.00 28.75 30.02 1qpx h GLU 165 CO 0.04 0.50 0.25 0.41 -1.00 0.00 0.00 179.01 179.20 1qpx n GLY 166 N -0.43 -0.03 0.01 -3.84 0.00 -1.20 -4.88 105.19 94.82 1qpx n GLY 166 Ca -0.01 0.79 0.11 0.00 0.00 0.00 0.00 46.02 46.90 1qpx n GLY 166 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qpx n GLU 167 N 2.16 0.54 -4.46 1.61 4.71 -1.26 -4.81 120.64 119.13 1qpx n GLU 167 Ca 0.21 -0.15 -0.23 0.00 -0.01 0.00 0.00 57.16 56.99 1qpx n GLU 167 Cb 0.09 -1.53 -0.10 0.00 -1.01 0.00 0.00 31.44 28.88 1qpx n GLU 167 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1qpx s PHE 168 N -3.42 2.08 -0.62 -0.32 0.08 -1.26 -5.09 117.98 109.43 1qpx s PHE 168 Ca -0.05 -0.63 -0.27 0.00 0.12 0.00 0.00 56.93 56.10 1qpx s PHE 168 Cb 0.14 -1.18 -0.00 0.00 -0.57 0.00 0.00 43.02 41.41 1qpx s PHE 168 CO 0.89 0.38 1.67 -1.21 -0.10 0.00 0.00 175.22 176.85 1qpx s GLU 169 N -3.69 2.87 0.01 0.44 2.02 -1.26 -4.48 118.70 114.61 1qpx s GLU 169 Ca 0.30 0.42 -0.03 0.00 0.02 0.00 0.00 54.97 55.69 1qpx s GLU 169 Cb 0.03 -4.30 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 1qpx s GLU 169 CO 0.13 -2.46 1.04 1.79 0.02 0.00 0.00 175.26 175.78 1qpx h THR 170 N 6.62 0.00 -3.77 3.63 1.35 -1.26 -3.47 112.91 116.01 1qpx h THR 170 Ca -0.27 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.27 1qpx h THR 170 Cb 1.13 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 67.36 1qpx h THR 170 CO 1.22 0.00 -0.73 0.54 -0.25 0.00 0.00 175.52 176.30 1qpx s VAL 171 N -3.22 0.91 -0.23 6.82 0.11 -1.20 -5.03 120.40 118.56 1qpx s VAL 171 Ca -0.01 -1.58 0.02 0.00 -2.93 0.00 0.00 61.98 57.48 1qpx s VAL 171 Cb 0.00 -1.29 0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1qpx s VAL 171 CO 0.04 -0.53 -0.14 -0.32 -3.33 0.00 0.00 175.10 170.82 1qpx s MET 172 N -2.65 2.58 -0.13 1.54 1.75 -1.26 -0.42 119.30 120.70 1qpx s MET 172 Ca 0.04 -1.12 -0.20 0.00 -1.25 0.00 0.00 55.69 53.16 1qpx s MET 172 Cb -0.04 -2.77 -0.04 0.00 2.84 0.00 0.00 34.83 34.83 1qpx s MET 172 CO 0.00 -0.42 0.56 -0.51 -0.65 0.00 0.00 175.02 174.00 1qpx s LEU 173 N 1.19 4.24 0.71 4.11 1.43 0.46 -4.94 118.68 125.89 1qpx s LEU 173 Ca -0.03 0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 53.84 1qpx s LEU 173 Cb -0.17 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.26 1qpx s LEU 173 CO -0.08 -0.10 1.07 -0.44 0.23 0.00 0.00 176.35 177.03 1qpx s SER 174 N 0.84 5.14 0.26 2.29 0.01 -1.26 -0.77 113.70 120.21 1qpx s SER 174 Ca 0.29 1.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.93 1qpx s SER 174 Cb -0.16 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.43 1qpx s SER 174 CO 0.12 -1.61 1.17 -2.65 0.41 0.00 0.00 173.24 170.68 1qpx n PRO 175 N -3.21 1.57 -3.81 12.44 -0.02 -1.25 -3.09 135.00 137.64 1qpx n PRO 175 Ca 0.08 0.56 -0.36 0.00 -2.02 0.00 0.00 63.50 61.76 1qpx n PRO 175 Cb 0.53 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.17 -0.98 -4.10 -0.52 1.74 0.82 -4.96 116.66 109.83 1qpx n ARG 176 Ca 0.10 0.34 -0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1qpx n ARG 176 Cb 0.31 -3.66 -0.06 0.00 -1.02 0.00 0.00 32.46 28.03 1qpx n ARG 176 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qpx s SER 177 N -3.51 0.55 0.04 0.55 1.04 -0.13 -4.95 113.70 107.29 1qpx s SER 177 Ca 0.47 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.62 1qpx s SER 177 Cb -0.19 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1qpx s SER 177 CO 0.90 -1.14 -0.17 -1.61 0.98 0.00 0.00 173.24 172.20 1qpx s GLU 178 N -3.57 1.12 -0.04 4.02 2.02 -1.26 0.02 118.70 121.01 1qpx s GLU 178 Ca 0.31 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.42 1qpx s GLU 178 Cb 0.01 -1.17 0.01 0.00 0.10 0.00 0.00 34.13 33.08 1qpx s GLU 178 CO 0.16 0.30 0.16 -1.14 0.02 0.00 0.00 175.26 174.76 1qpx s GLN 179 N -1.10 0.30 -0.23 1.61 0.74 -0.68 -4.97 119.66 115.33 1qpx s GLN 179 Ca 0.04 0.01 -0.13 0.00 0.05 0.00 0.00 55.36 55.33 1qpx s GLN 179 Cb -0.08 0.13 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 1qpx s GLN 179 CO 0.01 -0.06 0.29 0.99 -0.55 0.00 0.00 175.29 175.98 1qpx s THR 180 N -0.43 5.26 -0.06 -0.34 2.01 -1.26 -0.78 115.64 120.04 1qpx s THR 180 Ca -0.05 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.44 1qpx s THR 180 Cb -0.03 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1qpx s THR 180 CO 0.01 0.27 -0.16 0.68 -0.69 0.00 0.00 174.62 174.73 1qpx s VAL 181 N 1.37 2.89 -0.05 3.82 -7.23 0.12 -4.98 120.40 116.34 1qpx s VAL 181 Ca 0.13 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.23 1qpx s VAL 181 Cb -0.15 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1qpx s VAL 181 CO 0.07 0.58 1.17 -1.59 -0.31 0.00 0.00 175.10 175.02 1qpx s LYS 182 N -0.53 4.37 -0.05 4.82 -2.85 -1.26 -1.41 119.74 122.83 1qpx s LYS 182 Ca 0.07 1.63 -0.30 0.00 -1.00 0.00 0.00 55.97 56.38 1qpx s LYS 182 Cb -0.11 -3.54 0.09 0.00 -2.06 0.00 0.00 37.83 32.20 1qpx s LYS 182 CO 0.01 -0.40 0.77 0.45 0.10 0.00 0.00 175.35 176.28 1qpx s SER 183 N 1.38 -0.55 0.52 0.03 0.15 -0.60 -4.92 113.70 109.70 1qpx s SER 183 Ca 0.55 0.50 -0.21 0.00 0.70 0.00 0.00 55.95 57.49 1qpx s SER 183 Cb -0.24 0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 64.49 1qpx s SER 183 CO 0.22 -0.58 1.20 0.00 1.20 0.00 0.00 173.24 175.28 1qpx s ALA 184 N -1.61 2.80 -0.22 5.45 0.00 -1.26 -3.25 121.76 123.66 1qpx s ALA 184 Ca -0.06 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1qpx s ALA 184 Cb -0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1qpx s ALA 184 CO 0.04 -0.92 1.12 1.21 0.00 0.00 0.00 175.76 177.21 1qpx s ASN 185 N -1.42 7.03 -0.07 0.00 2.47 -1.26 -4.94 114.94 116.74 1qpx s ASN 185 Ca 0.70 1.44 -0.04 0.00 0.42 0.00 0.00 52.86 55.38 1qpx s ASN 185 Cb -0.30 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 36.92 1qpx s ASN 185 CO 0.35 -0.73 0.09 -0.31 -3.72 0.00 0.00 177.10 172.78 1qpx s TYR 186 N 3.37 3.40 0.13 0.43 1.51 -1.26 -5.01 117.35 119.91 1qpx s TYR 186 Ca 0.48 0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 56.73 1qpx s TYR 186 Cb -0.17 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1qpx s TYR 186 CO 0.10 0.61 1.63 -0.91 -1.11 0.00 0.00 175.55 175.87 1qpx h ASN 187 N 4.73 0.64 -4.15 2.29 4.21 -1.95 -3.35 115.58 117.99 1qpx h ASN 187 Ca -0.52 -0.23 -0.63 0.00 1.21 0.00 0.00 56.30 56.13 1qpx h ASN 187 Cb 1.20 -0.17 -0.41 0.00 -1.12 0.00 0.00 38.32 37.83 1qpx h ASN 187 CO 0.59 0.71 -0.66 0.42 -1.29 0.00 0.00 177.43 177.20 1qpx s THR 188 N -5.30 2.28 0.32 2.81 -4.23 -1.26 -4.75 115.64 105.51 1qpx s THR 188 Ca -0.13 -3.11 -0.28 0.00 -1.18 0.00 0.00 61.69 56.98 1qpx s THR 188 Cb 0.10 -2.59 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 1qpx s THR 188 CO 0.77 -0.82 1.14 -2.16 -0.54 0.00 0.00 174.62 173.01 1qpx s PRO 189 N -0.11 4.47 -0.00 3.99 0.04 -1.26 -4.21 135.00 137.92 1qpx s PRO 189 Ca 0.17 1.86 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1qpx s PRO 189 Cb -0.26 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1qpx s PRO 189 CO -0.00 0.04 -0.13 0.71 0.04 0.00 0.00 177.00 177.66 1qpx s TYR 190 N -1.23 1.15 -0.01 0.56 1.51 -0.40 -1.23 117.35 117.71 1qpx s TYR 190 Ca 0.48 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.29 1qpx s TYR 190 Cb -0.32 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 40.80 1qpx s TYR 190 CO 0.42 -0.01 0.02 -0.48 -1.11 0.00 0.00 175.55 174.38 1qpx s LEU 191 N -0.46 1.87 0.03 -1.29 0.05 -0.41 -1.29 118.68 117.19 1qpx s LEU 191 Ca 0.04 0.04 0.02 0.00 0.05 0.00 0.00 54.13 54.28 1qpx s LEU 191 Cb -0.05 0.05 -0.04 0.00 -2.05 0.00 0.00 46.19 44.10 1qpx s LEU 191 CO -0.00 -0.01 0.02 -0.94 -0.55 0.00 0.00 176.35 174.87 1qpx s SER 192 N 0.09 5.24 0.22 1.48 1.04 -0.18 -0.24 113.70 121.34 1qpx s SER 192 Ca -0.01 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.42 1qpx s SER 192 Cb -0.01 -1.37 -0.05 0.00 0.10 0.00 0.00 66.02 64.69 1qpx s SER 192 CO -0.00 0.24 0.03 -0.72 0.98 0.00 0.00 173.24 173.76 1qpx s TYR 193 N -1.20 1.42 -0.13 5.02 -0.85 -0.92 -0.20 117.35 120.49 1qpx s TYR 193 Ca 0.23 -1.04 -0.10 0.00 -0.52 0.00 0.00 57.07 55.64 1qpx s TYR 193 Cb -0.12 -0.82 -0.05 0.00 0.38 0.00 0.00 41.96 41.35 1qpx s TYR 193 CO 0.14 -0.19 0.20 0.42 -1.52 0.00 0.00 175.55 174.60 1qpx s ILE 194 N -3.61 5.38 0.12 -3.49 1.01 -0.75 -3.08 121.20 116.78 1qpx s ILE 194 Ca 0.29 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.30 1qpx s ILE 194 Cb 0.06 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 39.05 1qpx s ILE 194 CO 0.08 0.52 0.17 -0.46 0.00 0.00 0.00 174.94 175.25 1qpx n ASN 195 N 2.70 0.27 0.18 3.58 0.23 -0.90 -4.62 115.26 116.70 1qpx n ASN 195 Ca -0.17 -1.22 0.05 0.00 -0.53 0.00 0.00 54.58 52.71 1qpx n ASN 195 Cb 0.53 -0.11 0.29 0.00 -2.08 0.00 0.00 39.78 38.42 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 -0.08 0.00 -0.14 0.53 3.45 -1.99 -2.94 116.42 115.25 1qpx h ASP 196 Ca -0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1qpx h ASP 196 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1qpx h ASP 196 CO 0.06 0.42 0.00 -1.22 -1.57 0.00 0.00 179.24 176.93 1qpx n TYR 197 N -3.54 0.17 -0.48 4.55 4.02 -1.26 -4.93 117.16 115.70 1qpx n TYR 197 Ca -0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1qpx n TYR 197 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 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 1.13 0.81 3.85 2.72 0.00 -1.11 -5.07 105.19 107.53 1qpx n GLY 198 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.55 1.63 -0.51 -0.02 0.00 -1.26 -4.78 107.32 100.82 1qpx s GLY 199 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.02 1qpx s GLY 199 CO 0.00 -0.15 0.47 -0.96 0.00 0.00 0.00 173.10 172.45 1qpx n ARG 200 N -3.66 1.01 -1.50 2.90 1.85 -1.26 -2.11 116.66 113.88 1qpx n ARG 200 Ca 0.10 -3.71 -0.32 0.00 -1.00 0.00 0.00 57.85 52.91 1qpx n ARG 200 Cb 0.60 -1.82 0.07 0.00 -1.05 0.00 0.00 32.46 30.27 1qpx n ARG 200 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1qpx s PRO 201 N -0.90 2.44 -0.11 2.89 0.02 -1.18 -4.69 135.00 133.48 1qpx s PRO 201 Ca 0.32 1.38 -0.00 0.00 0.02 0.00 0.00 61.00 62.72 1qpx s PRO 201 Cb 0.06 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 1qpx s PRO 201 CO -0.15 -1.53 -0.10 0.08 -0.33 0.00 0.00 177.00 174.98 1qpx s VAL 202 N -2.48 3.39 0.00 3.83 1.01 -1.26 -2.16 120.40 122.73 1qpx s VAL 202 Ca 0.66 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1qpx s VAL 202 Cb -0.21 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1qpx s VAL 202 CO 0.47 0.54 0.00 -0.76 0.00 0.00 0.00 175.10 175.36 1qpx s LEU 203 N -0.04 3.52 -0.09 3.92 1.43 0.67 -4.95 118.68 123.14 1qpx s LEU 203 Ca -0.01 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1qpx s LEU 203 Cb -0.14 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1qpx s LEU 203 CO 0.03 0.28 -0.09 -0.94 0.23 0.00 0.00 176.35 175.86 1qpx s SER 204 N -1.58 4.40 0.10 2.29 1.04 -1.26 -1.28 113.70 117.40 1qpx s SER 204 Ca 0.20 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.52 1qpx s SER 204 Cb -0.12 -1.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1qpx s SER 204 CO 0.11 0.29 0.13 -0.36 0.98 0.00 0.00 173.24 174.38 1qpx s PHE 205 N -0.37 3.26 -0.18 5.02 0.40 -0.36 -0.02 117.98 125.72 1qpx s PHE 205 Ca 0.05 0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1qpx s PHE 205 Cb -0.12 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.78 1qpx s PHE 205 CO 0.02 0.53 -0.13 0.42 0.70 0.00 0.00 175.22 176.77 1qpx s ILE 206 N -1.50 2.76 0.08 0.64 -1.09 0.12 -4.37 121.20 117.84 1qpx s ILE 206 Ca 0.31 -0.72 -0.06 0.00 -2.23 0.00 0.00 60.65 57.95 1qpx s ILE 206 Cb -0.12 -2.19 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 1qpx s ILE 206 CO 0.24 0.49 0.32 0.00 -1.23 0.00 0.00 174.94 174.77 1qpx s ASN 208 N -2.09 3.14 1.23 0.00 0.01 -0.02 -4.99 114.94 112.23 1qpx s ASN 208 Ca 0.35 -3.13 0.00 0.00 -0.71 0.00 0.00 52.86 49.36 1qpx s ASN 208 Cb -0.13 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.57 1qpx s ASN 208 CO 0.21 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 1qpx n GLY 209 N 2.84 2.11 0.00 0.66 0.00 -1.26 -2.89 105.19 106.65 1qpx n GLY 209 Ca 0.20 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 9.81 0.17 -4.19 1.61 3.41 -1.26 -4.89 113.62 118.28 1qpx n SER 210 Ca 0.00 0.25 -0.28 0.00 -0.26 0.00 0.00 58.87 58.57 1qpx n SER 210 Cb 0.00 -0.25 -0.16 0.00 -0.26 0.00 0.00 64.21 63.54 1qpx n SER 210 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qpx s ARG 211 N -3.00 2.14 -0.06 4.33 0.52 -1.14 -0.51 118.95 121.23 1qpx s ARG 211 Ca 0.13 -0.73 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 1qpx s ARG 211 Cb 0.18 -1.82 -0.01 0.00 0.52 0.00 0.00 34.95 33.83 1qpx s ARG 211 CO 0.59 0.29 -0.22 0.00 0.02 0.00 0.00 175.30 175.98 1qpx s SER 213 N 0.02 3.68 0.08 0.00 1.04 -0.69 -0.53 113.70 117.30 1qpx s SER 213 Ca -0.07 -1.24 -0.31 0.00 0.48 0.00 0.00 55.95 54.82 1qpx s SER 213 Cb -0.14 -0.34 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 1qpx s SER 213 CO 0.04 -0.28 1.41 -0.69 0.98 0.00 0.00 173.24 174.71 1qpx s VAL 214 N -2.67 3.41 -1.08 5.02 1.01 -1.26 0.11 120.40 124.94 1qpx s VAL 214 Ca 0.33 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1qpx s VAL 214 Cb 0.04 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1qpx s VAL 214 CO 0.17 0.05 0.27 1.17 0.00 0.00 0.00 175.10 176.75