#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qse n ILE 1 N 0.00 1.83 -3.61 3.17 2.08 -1.26 -5.03 119.36 116.55 1qse n ILE 1 Ca 0.00 -0.42 -0.13 0.00 0.56 0.00 0.00 62.75 62.76 1qse n ILE 1 Cb 0.00 -0.71 -0.12 0.00 -0.75 0.00 0.00 39.64 38.06 1qse n ILE 1 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1qse s GLN 2 N -2.59 0.20 -0.03 0.38 -0.21 -1.26 -4.36 119.66 111.80 1qse s GLN 2 Ca 0.66 0.71 0.07 0.00 0.02 0.00 0.00 55.36 56.81 1qse s GLN 2 Cb -0.37 -0.16 -0.01 0.00 1.00 0.00 0.00 33.01 33.47 1qse s GLN 2 CO 0.58 -0.36 -0.23 1.03 -2.12 0.00 0.00 175.29 174.18 1qse s ARG 3 N 2.46 2.04 0.02 2.91 0.52 0.67 -4.94 118.95 122.63 1qse s ARG 3 Ca 0.03 -0.83 -0.26 0.00 -0.52 0.00 0.00 55.73 54.15 1qse s ARG 3 Cb -0.13 -1.88 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 1qse s ARG 3 CO -0.10 0.44 0.81 0.99 0.02 0.00 0.00 175.30 177.46 1qse s THR 4 N -0.38 4.81 0.45 0.02 2.01 -1.26 -2.38 115.64 118.90 1qse s THR 4 Ca 0.04 1.72 -0.25 0.00 0.31 0.00 0.00 61.69 63.51 1qse s THR 4 Cb -0.10 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.16 1qse s THR 4 CO 0.01 0.29 1.37 -2.16 -0.69 0.00 0.00 174.62 173.43 1qse s PRO 5 N 0.37 3.72 -0.26 4.92 0.04 -1.26 -4.58 135.00 137.95 1qse s PRO 5 Ca 0.42 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.63 1qse s PRO 5 Cb -0.20 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1qse s PRO 5 CO 0.24 -0.74 0.17 0.15 0.04 0.00 0.00 177.00 176.86 1qse s LYS 6 N -2.44 4.01 -0.06 4.56 1.02 0.10 -4.89 119.74 122.04 1qse s LYS 6 Ca 0.61 -0.30 -0.00 0.00 0.02 0.00 0.00 55.97 56.30 1qse s LYS 6 Cb -0.41 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 1qse s LYS 6 CO 0.52 -0.05 -0.02 0.42 -0.92 0.00 0.00 175.35 175.30 1qse s ILE 7 N 1.39 4.13 -0.05 2.17 1.01 -1.26 -1.35 121.20 127.23 1qse s ILE 7 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1qse s ILE 7 Cb -0.15 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1qse s ILE 7 CO 0.07 0.56 0.09 -1.10 0.00 0.00 0.00 174.94 174.56 1qse s GLN 8 N -1.01 -0.04 -0.19 2.79 -0.21 -1.02 -4.98 119.66 115.01 1qse s GLN 8 Ca 0.14 0.43 -0.03 0.00 0.02 0.00 0.00 55.36 55.92 1qse s GLN 8 Cb -0.11 -0.42 -0.01 0.00 1.00 0.00 0.00 33.01 33.47 1qse s GLN 8 CO 0.04 -0.31 -0.06 0.08 -2.12 0.00 0.00 175.29 172.91 1qse s VAL 9 N 2.14 3.41 0.23 1.09 1.01 -1.26 -0.64 120.40 126.38 1qse s VAL 9 Ca 0.04 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1qse s VAL 9 Cb -0.12 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1qse s VAL 9 CO -0.04 0.46 0.44 0.00 0.00 0.00 0.00 175.10 175.96 1qse n TYR 10 N 4.27 -1.70 -4.28 5.22 4.11 -0.28 -4.49 117.16 120.01 1qse n TYR 10 Ca -0.18 -1.13 -0.23 0.00 -0.00 0.00 0.00 57.90 56.36 1qse n TYR 10 Cb 0.52 0.51 -0.07 0.00 -0.00 0.00 0.00 39.34 40.30 1qse n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1qse s SER 11 N -2.22 4.47 0.19 9.48 1.04 -1.26 0.10 113.70 125.50 1qse s SER 11 Ca 0.10 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1qse s SER 11 Cb -0.03 -0.76 0.08 0.00 0.10 0.00 0.00 66.02 65.41 1qse s SER 11 CO 0.08 -0.07 1.44 -0.09 0.98 0.00 0.00 173.24 175.57 1qse h ARG 12 N 1.84 0.22 -5.24 4.02 2.43 -1.63 -3.46 114.38 112.56 1qse h ARG 12 Ca -0.44 -0.20 -0.42 0.00 -0.81 0.00 0.00 59.98 58.11 1qse h ARG 12 Cb 1.25 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.71 1qse h ARG 12 CO 0.62 0.89 -0.66 -1.01 -1.51 0.00 0.00 179.97 178.30 1qse s HIS 13 N -3.40 1.70 0.25 2.20 3.76 -1.26 -5.03 115.29 113.51 1qse s HIS 13 Ca -0.03 -0.84 -0.31 0.00 -0.15 0.00 0.00 55.06 53.73 1qse s HIS 13 Cb 0.11 -0.98 -0.12 0.00 1.11 0.00 0.00 32.58 32.69 1qse s HIS 13 CO 0.82 0.08 1.60 -2.30 -0.85 0.00 0.00 174.74 174.08 1qse n PRO 14 N -0.48 2.58 -2.58 8.40 -0.02 -1.26 -4.90 135.00 136.74 1qse n PRO 14 Ca -0.05 0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 61.92 1qse n PRO 14 Cb 0.64 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1qse n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qse s ALA 15 N 0.35 3.51 -0.28 3.55 0.00 -1.26 -5.01 121.76 122.62 1qse s ALA 15 Ca 0.68 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 1qse s ALA 15 Cb -0.54 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.17 1qse s ALA 15 CO 0.44 -0.80 0.06 -1.21 0.00 0.00 0.00 175.76 174.25 1qse s GLU 16 N 2.46 0.89 0.24 0.00 2.02 -1.26 -5.12 118.70 117.92 1qse s GLU 16 Ca 0.51 -0.98 -0.19 0.00 0.02 0.00 0.00 54.97 54.33 1qse s GLU 16 Cb -0.20 -2.19 -0.12 0.00 0.10 0.00 0.00 34.13 31.72 1qse s GLU 16 CO 0.17 -0.85 0.22 0.09 0.02 0.00 0.00 175.26 174.90 1qse n ASN 17 N 4.82 -1.62 0.00 -0.19 4.13 -1.25 -0.72 115.26 120.43 1qse n ASN 17 Ca -0.05 0.73 0.00 0.00 1.68 0.00 0.00 54.58 56.95 1qse n ASN 17 Cb 0.43 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 1qse n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qse n GLY 18 N 1.66 2.96 3.85 7.41 0.00 -0.81 -4.99 105.19 115.28 1qse n GLY 18 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1qse n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qse s LYS 19 N -0.02 3.93 0.14 1.61 -0.14 0.10 -4.98 119.74 120.39 1qse s LYS 19 Ca 0.00 0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 54.77 1qse s LYS 19 Cb 0.00 -2.74 -0.07 0.00 -1.68 0.00 0.00 37.83 33.34 1qse s LYS 19 CO 0.00 0.36 1.10 0.45 -0.76 0.00 0.00 175.35 176.50 1qse s SER 20 N -2.05 7.26 0.00 2.83 0.15 -1.26 -4.29 113.70 116.34 1qse s SER 20 Ca 0.45 2.03 0.00 0.00 0.70 0.00 0.00 55.95 59.12 1qse s SER 20 Cb -0.13 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1qse s SER 20 CO 0.20 -0.25 0.00 -3.20 1.20 0.00 0.00 173.24 171.19 1qse n ASN 21 N 2.75 0.00 -3.89 5.45 2.85 -0.72 -5.03 115.26 116.68 1qse n ASN 21 Ca 0.04 -0.40 -0.14 0.00 -0.11 0.00 0.00 54.58 53.96 1qse n ASN 21 Cb 0.47 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.34 1qse n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1qse s PHE 22 N -3.14 0.23 -0.28 1.20 0.40 -1.26 -2.49 117.98 112.65 1qse s PHE 22 Ca 0.00 -0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1qse s PHE 22 Cb 0.00 -0.20 -0.02 0.00 0.51 0.00 0.00 43.02 43.31 1qse s PHE 22 CO 0.00 -0.03 0.11 -1.17 0.70 0.00 0.00 175.22 174.83 1qse s LEU 23 N 0.20 3.78 0.09 -0.37 2.96 0.13 -1.41 118.68 124.05 1qse s LEU 23 Ca -0.02 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1qse s LEU 23 Cb -0.04 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1qse s LEU 23 CO -0.01 -0.11 0.03 0.20 -1.32 0.00 0.00 176.35 175.15 1qse s ASN 24 N 1.62 5.21 -0.14 3.68 0.01 0.29 -1.79 114.94 123.82 1qse s ASN 24 Ca 0.05 -0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.04 1qse s ASN 24 Cb -0.16 -1.30 0.05 0.00 0.41 0.00 0.00 41.25 40.25 1qse s ASN 24 CO 0.05 0.17 0.08 0.00 -1.51 0.00 0.00 177.10 175.89 1qse s TYR 26 N 2.14 3.41 -0.08 0.00 5.04 0.18 -1.58 117.35 126.45 1qse s TYR 26 Ca 0.03 -1.95 -0.14 0.00 -2.44 0.00 0.00 57.07 52.57 1qse s TYR 26 Cb -0.15 -2.77 -0.05 0.00 0.35 0.00 0.00 41.96 39.34 1qse s TYR 26 CO -0.08 -0.87 0.34 0.14 -1.34 0.00 0.00 175.55 173.74 1qse s VAL 27 N 1.27 5.20 0.20 3.14 -7.23 -0.85 -2.43 120.40 119.71 1qse s VAL 27 Ca 0.02 0.67 -0.08 0.00 -1.81 0.00 0.00 61.98 60.79 1qse s VAL 27 Cb -0.22 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.05 1qse s VAL 27 CO -0.01 0.49 0.30 -0.94 -0.31 0.00 0.00 175.10 174.64 1qse s SER 28 N -0.37 0.03 -1.77 4.85 1.04 -0.46 -1.05 113.70 115.97 1qse s SER 28 Ca 0.20 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1qse s SER 28 Cb -0.15 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1qse s SER 28 CO 0.09 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1qse n GLY 29 N -0.29 0.33 4.03 7.32 0.00 -0.87 -0.72 105.19 114.99 1qse n GLY 29 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1qse n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qse s PHE 30 N -2.83 1.52 0.00 1.61 -0.71 -1.16 -4.38 117.98 112.03 1qse s PHE 30 Ca 0.00 -0.62 0.00 0.00 -1.04 0.00 0.00 56.93 55.27 1qse s PHE 30 Cb 0.00 -2.38 0.00 0.00 -1.21 0.00 0.00 43.02 39.43 1qse s PHE 30 CO 0.00 -1.23 0.00 1.58 -1.34 0.00 0.00 175.22 174.23 1qse n HIS 31 N -2.34 0.00 -0.77 3.49 -0.00 -1.00 -2.31 115.22 112.28 1qse n HIS 31 Ca 0.15 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 58.03 1qse n HIS 31 Cb 0.61 0.00 0.26 0.00 -0.12 0.00 0.00 29.99 30.74 1qse n HIS 31 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1qse s PRO 32 N -0.48 -1.78 0.17 1.57 0.04 -1.26 -0.23 135.00 133.03 1qse s PRO 32 Ca 0.00 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.05 1qse s PRO 32 Cb 0.00 -1.51 0.06 0.00 0.04 0.00 0.00 34.50 33.09 1qse s PRO 32 CO 0.00 -4.12 1.66 0.66 0.04 0.00 0.00 177.00 175.25 1qse h SER 33 N -2.88 0.94 -2.24 6.66 4.64 -1.99 -3.45 113.55 115.24 1qse h SER 33 Ca -0.47 -0.26 -0.58 0.00 -0.47 0.00 0.00 61.79 60.02 1qse h SER 33 Cb 1.32 -0.25 0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1qse h SER 33 CO 0.35 0.96 1.02 -0.90 -0.87 0.00 0.00 176.83 177.39 1qse n ASP 34 N -4.31 3.53 -3.69 4.97 5.68 -1.26 -4.95 116.55 116.52 1qse n ASP 34 Ca 0.03 1.01 -0.14 0.00 -0.50 0.00 0.00 54.79 55.18 1qse n ASP 34 Cb 0.27 -1.44 -0.08 0.00 -1.14 0.00 0.00 41.12 38.73 1qse n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1qse s ILE 35 N 2.78 0.02 -0.22 2.12 2.07 -1.26 -4.69 121.20 122.02 1qse s ILE 35 Ca 0.86 -0.15 -0.03 0.00 -1.41 0.00 0.00 60.65 59.91 1qse s ILE 35 Cb -0.62 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 41.25 1qse s ILE 35 CO 0.43 -0.08 -0.06 -0.70 -1.91 0.00 0.00 174.94 172.62 1qse s GLU 36 N -0.53 3.27 -0.08 3.50 2.12 0.15 -4.94 118.70 122.20 1qse s GLU 36 Ca -0.06 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.61 1qse s GLU 36 Cb -0.03 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.41 1qse s GLU 36 CO 0.04 -0.22 -0.16 0.08 -0.54 0.00 0.00 175.26 174.45 1qse s VAL 37 N 1.44 1.46 -0.01 3.70 1.01 -1.26 -0.41 120.40 126.34 1qse s VAL 37 Ca 0.05 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1qse s VAL 37 Cb -0.14 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1qse s VAL 37 CO -0.05 0.43 -0.07 -1.81 0.00 0.00 0.00 175.10 173.60 1qse s ASP 38 N 0.55 0.87 -0.12 3.32 1.01 -0.10 -4.96 116.67 117.23 1qse s ASP 38 Ca -0.16 -0.13 -0.13 0.00 0.71 0.00 0.00 52.55 52.83 1qse s ASP 38 Cb -0.17 -0.10 -0.05 0.00 1.01 0.00 0.00 42.92 43.62 1qse s ASP 38 CO 0.06 0.09 0.31 -0.76 0.21 0.00 0.00 175.17 175.07 1qse s LEU 39 N -0.16 4.31 0.11 1.23 1.43 -1.26 0.05 118.68 124.39 1qse s LEU 39 Ca 0.03 0.62 0.09 0.00 -1.03 0.00 0.00 54.13 53.84 1qse s LEU 39 Cb -0.03 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1qse s LEU 39 CO -0.00 0.18 -0.20 -0.76 0.23 0.00 0.00 176.35 175.80 1qse s LEU 40 N -0.05 2.62 -0.21 1.79 1.43 0.25 -0.87 118.68 123.64 1qse s LEU 40 Ca 0.18 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1qse s LEU 40 Cb -0.14 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 44.66 1qse s LEU 40 CO 0.06 0.19 0.02 -0.75 0.23 0.00 0.00 176.35 176.10 1qse s LYS 41 N -2.05 0.82 -1.42 1.70 2.20 -0.51 -1.45 119.74 119.02 1qse s LYS 41 Ca 0.17 -0.55 -0.10 0.00 -0.36 0.00 0.00 55.97 55.13 1qse s LYS 41 Cb -0.10 -2.19 0.04 0.00 -1.51 0.00 0.00 37.83 34.07 1qse s LYS 41 CO 0.09 -0.65 1.08 0.09 -0.36 0.00 0.00 175.35 175.59 1qse n ASN 42 N 4.98 -5.32 -1.67 1.43 3.02 0.31 -1.94 115.26 116.07 1qse n ASN 42 Ca -0.09 -0.66 -0.15 0.00 -0.03 0.00 0.00 54.58 53.65 1qse n ASN 42 Cb 0.46 -4.51 -0.02 0.00 -0.61 0.00 0.00 39.78 35.10 1qse n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qse n GLY 43 N -1.82 -0.00 3.40 7.41 0.00 -1.26 -5.01 105.19 107.90 1qse n GLY 43 Ca -0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1qse n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qse s GLU 44 N -4.56 1.45 -0.09 1.61 0.41 -0.82 -5.07 118.70 111.62 1qse s GLU 44 Ca 0.00 -1.45 -0.30 0.00 -0.41 0.00 0.00 54.97 52.81 1qse s GLU 44 Cb 0.00 -1.80 -0.03 0.00 -1.78 0.00 0.00 34.13 30.52 1qse s GLU 44 CO 0.00 0.40 1.34 0.50 -0.49 0.00 0.00 175.26 177.01 1qse s ARG 45 N -2.47 4.26 -0.05 1.61 3.52 -1.26 -1.42 118.95 123.14 1qse s ARG 45 Ca 0.18 1.80 -0.24 0.00 -0.13 0.00 0.00 55.73 57.34 1qse s ARG 45 Cb -0.08 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1qse s ARG 45 CO 0.08 -0.65 0.75 0.42 -0.81 0.00 0.00 175.30 175.09 1qse s ILE 46 N 3.09 4.99 -0.17 4.11 1.01 -0.05 -4.94 121.20 129.25 1qse s ILE 46 Ca 0.60 1.55 -0.19 0.00 0.00 0.00 0.00 60.65 62.61 1qse s ILE 46 Cb -0.26 -4.09 -0.16 0.00 0.01 0.00 0.00 42.46 37.96 1qse s ILE 46 CO 0.21 0.25 0.27 -0.33 0.00 0.00 0.00 174.94 175.33 1qse h GLU 47 N 6.66 0.00 -4.18 2.79 5.08 -1.94 -3.41 114.58 119.58 1qse h GLU 47 Ca -0.41 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.26 1qse h GLU 47 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1qse h GLU 47 CO 0.75 0.71 2.82 1.17 -1.00 0.00 0.00 179.01 183.46 1qse n LYS 48 N -4.55 2.33 -4.54 2.33 4.81 -1.26 -4.83 118.16 112.45 1qse n LYS 48 Ca -0.18 -2.31 -0.33 0.00 -0.87 0.00 0.00 58.31 54.62 1qse n LYS 48 Cb 0.48 -3.14 -0.14 0.00 0.02 0.00 0.00 35.03 32.24 1qse n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1qse s VAL 49 N 3.89 3.22 -0.09 3.15 1.01 -1.26 -4.59 120.40 125.73 1qse s VAL 49 Ca 0.51 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1qse s VAL 49 Cb 0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1qse s VAL 49 CO -0.01 0.50 -0.18 -1.61 0.00 0.00 0.00 175.10 173.80 1qse s GLU 50 N 0.58 2.95 0.31 2.72 2.02 -0.43 -4.92 118.70 121.93 1qse s GLU 50 Ca -0.06 -0.77 0.11 0.00 0.02 0.00 0.00 54.97 54.27 1qse s GLU 50 Cb -0.15 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.61 1qse s GLU 50 CO 0.03 0.33 -0.15 -3.38 0.02 0.00 0.00 175.26 172.11 1qse s HIS 51 N -0.00 2.34 0.78 1.61 -3.43 -1.26 -1.54 115.29 113.80 1qse s HIS 51 Ca -0.06 -0.40 -0.09 0.00 -0.80 0.00 0.00 55.06 53.72 1qse s HIS 51 Cb -0.15 -1.16 0.11 0.00 -1.43 0.00 0.00 32.58 29.95 1qse s HIS 51 CO 0.05 0.66 1.10 -1.54 -2.00 0.00 0.00 174.74 173.01 1qse s SER 52 N -3.56 4.28 -0.17 7.38 1.04 -0.46 -5.00 113.70 117.22 1qse s SER 52 Ca 0.31 0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.76 1qse s SER 52 Cb -0.02 -0.75 -0.00 0.00 0.10 0.00 0.00 66.02 65.35 1qse s SER 52 CO 0.16 -1.95 1.01 -1.81 0.98 0.00 0.00 173.24 171.62 1qse s ASP 53 N -4.65 7.15 -0.17 7.02 1.01 -1.26 -4.76 116.67 121.00 1qse s ASP 53 Ca 0.65 1.42 -0.41 0.00 0.71 0.00 0.00 52.55 54.93 1qse s ASP 53 Cb -0.08 -2.54 -0.18 0.00 1.01 0.00 0.00 42.92 41.13 1qse s ASP 53 CO 0.47 -0.55 1.48 -0.11 0.21 0.00 0.00 175.17 176.67 1qse n LEU 54 N 5.67 1.50 -4.26 1.23 7.94 -1.26 -4.95 117.00 122.86 1qse n LEU 54 Ca 0.10 1.13 -0.18 0.00 -1.11 0.00 0.00 56.01 55.95 1qse n LEU 54 Cb 0.47 -1.06 -0.08 0.00 0.53 0.00 0.00 43.42 43.28 1qse n LEU 54 CO 0.52 -0.96 -0.13 -0.55 -1.11 0.00 0.00 177.39 175.16 1qse s SER 55 N 1.95 1.33 0.21 1.96 0.15 -1.21 -5.02 113.70 113.06 1qse s SER 55 Ca 0.95 -1.67 -0.05 0.00 0.70 0.00 0.00 55.95 55.87 1qse s SER 55 Cb -1.17 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 1qse s SER 55 CO 0.62 -1.02 0.24 0.72 1.20 0.00 0.00 173.24 175.00 1qse s PHE 56 N -3.58 0.87 0.40 3.44 -0.12 -1.26 -0.92 117.98 116.80 1qse s PHE 56 Ca 0.40 -1.14 0.04 0.00 -0.05 0.00 0.00 56.93 56.18 1qse s PHE 56 Cb 0.03 -0.30 0.04 0.00 -0.63 0.00 0.00 43.02 42.16 1qse s PHE 56 CO 0.24 -0.75 0.34 0.43 -0.05 0.00 0.00 175.22 175.44 1qse n SER 57 N -0.29 2.12 -0.14 1.98 7.64 0.17 -4.93 113.62 120.17 1qse n SER 57 Ca 0.00 -2.31 -0.04 0.00 1.01 0.00 0.00 58.87 57.54 1qse n SER 57 Cb 0.64 -0.08 0.05 0.00 -1.01 0.00 0.00 64.21 63.81 1qse n SER 57 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1qse h LYS 58 N 0.00 0.23 0.00 1.43 2.10 -2.03 0.18 116.57 118.48 1qse h LYS 58 Ca -0.24 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1qse h LYS 58 Cb 0.91 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1qse h LYS 58 CO 0.37 0.15 0.00 -0.40 -2.00 0.00 0.00 179.45 177.57 1qse n ASP 59 N -5.09 0.00 -0.05 7.07 5.75 -1.26 -4.77 116.55 118.21 1qse n ASP 59 Ca 0.04 -0.52 -0.01 0.00 -0.01 0.00 0.00 54.79 54.29 1qse n ASP 59 Cb 0.21 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1qse n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1qse n TRP 60 N -0.76 0.00 -2.93 2.11 7.02 0.64 -5.02 117.44 118.50 1qse n TRP 60 Ca 0.04 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.16 1qse n TRP 60 Cb 0.02 -0.47 -0.06 0.00 -2.42 0.00 0.00 31.31 28.38 1qse n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1qse s SER 61 N -2.16 7.18 0.27 -0.99 1.04 -1.25 -4.69 113.70 113.10 1qse s SER 61 Ca 0.00 1.63 -0.15 0.00 0.48 0.00 0.00 55.95 57.92 1qse s SER 61 Cb 0.00 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.53 1qse s SER 61 CO 0.00 -0.05 0.68 -0.36 0.98 0.00 0.00 173.24 174.49 1qse s PHE 62 N -1.63 3.45 -0.01 5.02 0.08 -0.98 0.43 117.98 124.35 1qse s PHE 62 Ca 0.48 1.17 0.01 0.00 0.12 0.00 0.00 56.93 58.72 1qse s PHE 62 Cb -0.17 -2.48 -0.00 0.00 -0.57 0.00 0.00 43.02 39.80 1qse s PHE 62 CO 0.22 0.20 -0.05 1.52 -0.10 0.00 0.00 175.22 177.01 1qse s TYR 63 N -1.82 0.46 0.01 0.36 -0.85 -0.09 -2.05 117.35 113.36 1qse s TYR 63 Ca 0.49 -0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.97 1qse s TYR 63 Cb -0.12 -0.31 -0.01 0.00 0.38 0.00 0.00 41.96 41.90 1qse s TYR 63 CO 0.19 -0.02 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.97 1qse s LEU 64 N -0.02 2.11 -0.07 -3.49 2.96 -0.21 -3.36 118.68 116.60 1qse s LEU 64 Ca 0.01 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1qse s LEU 64 Cb -0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 1qse s LEU 64 CO -0.00 -0.07 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.54 1qse s LEU 65 N -0.73 2.33 -0.04 -0.68 2.96 -1.26 -2.00 118.68 119.26 1qse s LEU 65 Ca -0.04 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 1qse s LEU 65 Cb -0.05 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1qse s LEU 65 CO -0.00 0.26 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.75 1qse s TYR 66 N -0.21 2.12 -0.03 5.38 1.51 -0.62 -1.35 117.35 124.15 1qse s TYR 66 Ca -0.01 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.32 1qse s TYR 66 Cb -0.13 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1qse s TYR 66 CO 0.03 -0.12 0.44 1.52 -1.11 0.00 0.00 175.55 176.30 1qse s TYR 67 N -0.29 -0.35 -0.03 2.71 -0.85 -0.59 -1.47 117.35 116.48 1qse s TYR 67 Ca 0.02 0.57 -0.04 0.00 -0.52 0.00 0.00 57.07 57.10 1qse s TYR 67 Cb -0.11 0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.44 1qse s TYR 67 CO 0.01 -0.46 0.10 0.99 -1.52 0.00 0.00 175.55 174.67 1qse s THR 68 N -1.27 0.02 0.68 -3.49 2.01 -0.74 -1.31 115.64 111.54 1qse s THR 68 Ca -0.13 -0.18 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 1qse s THR 68 Cb -0.03 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.27 1qse s THR 68 CO 0.06 -0.10 1.08 -1.61 -0.69 0.00 0.00 174.62 173.36 1qse s GLU 69 N -0.29 2.83 -0.13 4.92 2.02 -1.26 0.17 118.70 126.96 1qse s GLU 69 Ca -0.04 1.15 -0.34 0.00 0.02 0.00 0.00 54.97 55.77 1qse s GLU 69 Cb -0.03 -1.97 0.14 0.00 0.10 0.00 0.00 34.13 32.38 1qse s GLU 69 CO 0.00 -1.20 1.34 -0.59 0.02 0.00 0.00 175.26 174.83 1qse s PHE 70 N -2.73 -0.04 -0.27 1.61 -0.71 -1.04 -4.80 117.98 110.01 1qse s PHE 70 Ca 0.62 -0.00 0.00 0.00 -1.04 0.00 0.00 56.93 56.51 1qse s PHE 70 Cb -0.17 0.52 0.08 0.00 -1.21 0.00 0.00 43.02 42.24 1qse s PHE 70 CO 0.48 -0.13 0.01 0.99 -1.34 0.00 0.00 175.22 175.23 1qse s THR 71 N -2.23 1.37 0.38 -4.49 2.01 -1.26 -1.75 115.64 109.68 1qse s THR 71 Ca 0.13 -1.38 -0.26 0.00 0.31 0.00 0.00 61.69 60.50 1qse s THR 71 Cb 0.03 -1.82 -0.09 0.00 0.01 0.00 0.00 72.50 70.63 1qse s THR 71 CO -0.05 -0.35 1.15 -2.16 -0.69 0.00 0.00 174.62 172.52 1qse s PRO 72 N 1.42 4.14 0.10 4.92 0.04 -1.26 -4.78 135.00 139.58 1qse s PRO 72 Ca 0.02 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1qse s PRO 72 Cb -0.18 -2.72 -0.00 0.00 0.04 0.00 0.00 34.50 31.63 1qse s PRO 72 CO -0.12 -0.23 0.01 0.25 0.04 0.00 0.00 177.00 176.95 1qse n THR 73 N 0.20 0.00 0.06 1.26 -2.24 -1.26 -1.92 114.28 110.37 1qse n THR 73 Ca 0.04 -0.48 -0.03 0.00 -2.27 0.00 0.00 64.05 61.30 1qse n THR 73 Cb 0.47 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 1qse n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qse h GLU 74 N 0.00 0.00 0.00 -0.78 4.39 -2.00 -3.36 114.58 112.83 1qse h GLU 74 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1qse h GLU 74 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1qse h GLU 74 CO 0.13 0.62 -1.31 0.36 -1.16 0.00 0.00 179.01 177.64 1qse n LYS 75 N -3.16 0.71 -2.58 2.33 2.85 -1.26 -4.99 118.16 112.06 1qse n LYS 75 Ca -0.04 -0.08 -0.41 0.00 -1.05 0.00 0.00 58.31 56.73 1qse n LYS 75 Cb 0.88 -1.42 -0.04 0.00 -0.65 0.00 0.00 35.03 33.80 1qse n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1qse s ASP 76 N -3.39 7.31 -0.18 -5.58 1.01 -1.26 -5.04 116.67 109.54 1qse s ASP 76 Ca 0.01 1.94 -0.04 0.00 0.71 0.00 0.00 52.55 55.17 1qse s ASP 76 Cb 0.13 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1qse s ASP 76 CO 0.79 -0.23 -0.04 -1.61 0.21 0.00 0.00 175.17 174.29 1qse s GLU 77 N 0.17 3.58 -0.04 8.23 2.02 -1.26 -4.71 118.70 126.70 1qse s GLU 77 Ca 0.51 -0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1qse s GLU 77 Cb -0.27 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 1qse s GLU 77 CO 0.32 0.10 -0.22 0.71 0.02 0.00 0.00 175.26 176.19 1qse s TYR 78 N 0.72 2.06 0.21 1.61 2.02 -1.26 0.11 117.35 122.82 1qse s TYR 78 Ca -0.02 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 1qse s TYR 78 Cb -0.14 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1qse s TYR 78 CO 0.02 -0.13 0.39 0.00 -1.57 0.00 0.00 175.55 174.26 1qse s ALA 79 N -0.26 -0.13 0.06 3.71 0.00 -0.53 -0.36 121.76 124.24 1qse s ALA 79 Ca 0.02 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1qse s ALA 79 Cb -0.11 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 1qse s ALA 79 CO 0.01 -0.75 -0.22 0.00 0.00 0.00 0.00 175.76 174.80 1qse s ARG 81 N -1.54 1.69 0.02 0.00 3.52 0.11 -0.69 118.95 122.06 1qse s ARG 81 Ca 0.14 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.30 1qse s ARG 81 Cb -0.10 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.30 1qse s ARG 81 CO 0.05 -0.35 -0.14 0.08 -0.81 0.00 0.00 175.30 174.12 1qse s VAL 82 N 1.60 3.07 -0.03 7.11 1.01 -0.50 -0.93 120.40 131.72 1qse s VAL 82 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1qse s VAL 82 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1qse s VAL 82 CO -0.08 0.38 -0.06 0.21 0.00 0.00 0.00 175.10 175.55 1qse s ASN 83 N -1.36 0.92 0.16 3.32 3.04 0.45 -1.83 114.94 119.64 1qse s ASN 83 Ca 0.15 -0.13 -0.13 0.00 0.04 0.00 0.00 52.86 52.79 1qse s ASN 83 Cb -0.11 -0.35 0.01 0.00 -1.54 0.00 0.00 41.25 39.26 1qse s ASN 83 CO 0.05 -0.01 0.37 -2.28 -3.04 0.00 0.00 177.10 172.20 1qse s HIS 84 N 0.57 0.07 0.34 0.43 2.46 -1.26 -0.68 115.29 117.22 1qse s HIS 84 Ca -0.08 -0.43 0.27 0.00 0.47 0.00 0.00 55.06 55.30 1qse s HIS 84 Cb -0.11 0.16 1.34 0.00 -0.13 0.00 0.00 32.58 33.83 1qse s HIS 84 CO 0.00 -0.76 2.01 -0.39 -2.47 0.00 0.00 174.74 173.14 1qse h VAL 85 N 2.42 0.53 0.00 0.89 -1.51 -1.95 -2.09 116.25 114.54 1qse h VAL 85 Ca -0.31 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 1qse h VAL 85 Cb 1.24 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1qse h VAL 85 CO 0.45 0.14 0.00 0.35 -1.23 0.00 0.00 177.57 177.28 1qse n THR 86 N -3.54 0.10 -4.11 7.19 -2.24 -1.26 -4.69 114.28 105.73 1qse n THR 86 Ca -0.01 0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 1qse n THR 86 Cb 0.29 -0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 1qse n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qse s LEU 87 N -2.19 3.24 0.48 3.22 1.43 -0.79 -4.96 118.68 119.12 1qse s LEU 87 Ca 0.30 -0.20 0.22 0.00 -1.03 0.00 0.00 54.13 53.43 1qse s LEU 87 Cb 0.16 -1.82 1.23 0.00 0.03 0.00 0.00 46.19 45.79 1qse s LEU 87 CO 0.29 0.08 2.02 0.77 0.23 0.00 0.00 176.35 179.73 1qse h SER 88 N 7.40 0.00 -4.54 2.29 4.64 -1.86 -3.44 113.55 118.04 1qse h SER 88 Ca -0.35 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.91 1qse h SER 88 Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 1qse h SER 88 CO 0.61 0.17 0.10 -1.10 -0.87 0.00 0.00 176.83 175.74 1qse s GLN 89 N -4.30 0.91 0.10 4.77 -0.21 -1.26 -5.14 119.66 114.53 1qse s GLN 89 Ca -0.03 0.53 -0.35 0.00 0.02 0.00 0.00 55.36 55.53 1qse s GLN 89 Cb 0.14 0.43 -0.18 0.00 1.00 0.00 0.00 33.01 34.40 1qse s GLN 89 CO 0.63 -0.21 1.01 -2.30 -2.12 0.00 0.00 175.29 172.30 1qse n PRO 90 N 1.75 0.47 -3.78 2.91 -0.02 -1.26 -4.92 135.00 130.15 1qse n PRO 90 Ca -0.17 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1qse n PRO 90 Cb 0.56 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 1qse n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qse s LYS 91 N -0.27 4.08 -0.13 -0.52 2.20 -0.76 -4.95 119.74 119.38 1qse s LYS 91 Ca 0.79 -0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1qse s LYS 91 Cb -1.04 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 1qse s LYS 91 CO 0.54 0.36 -0.12 0.42 -0.36 0.00 0.00 175.35 176.19 1qse s ILE 92 N 0.19 3.14 -0.21 5.43 1.01 -1.26 -1.42 121.20 128.09 1qse s ILE 92 Ca 0.08 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1qse s ILE 92 Cb -0.11 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 40.07 1qse s ILE 92 CO -0.01 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.61 1qse s VAL 93 N 0.33 1.97 0.60 2.92 1.01 0.14 -4.95 120.40 122.42 1qse s VAL 93 Ca -0.10 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 60.59 1qse s VAL 93 Cb -0.16 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1qse s VAL 93 CO 0.05 0.27 1.02 -0.54 0.00 0.00 0.00 175.10 175.91 1qse s LYS 94 N 1.26 3.62 -0.03 2.72 1.02 -1.26 0.24 119.74 127.31 1qse s LYS 94 Ca -0.01 0.84 -0.22 0.00 0.02 0.00 0.00 55.97 56.60 1qse s LYS 94 Cb -0.16 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1qse s LYS 94 CO -0.09 -0.55 0.66 -0.46 -0.92 0.00 0.00 175.35 173.99 1qse s TRP 95 N -3.00 3.64 -0.36 3.18 -0.00 0.51 -4.82 118.94 118.09 1qse s TRP 95 Ca 0.57 1.25 -0.04 0.00 -0.00 0.00 0.00 56.10 57.88 1qse s TRP 95 Cb -0.11 -2.73 0.07 0.00 -0.00 0.00 0.00 33.47 30.71 1qse s TRP 95 CO 0.48 0.22 0.12 0.34 -0.00 0.00 0.00 176.95 178.10 1qse s ASP 96 N 0.30 5.17 0.00 5.86 2.15 -1.26 -4.88 116.67 124.00 1qse s ASP 96 Ca 0.35 -1.57 0.00 0.00 0.43 0.00 0.00 52.55 51.76 1qse s ASP 96 Cb -0.18 -1.81 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1qse s ASP 96 CO 0.18 -0.41 0.32 -2.11 -0.17 0.00 0.00 175.17 172.99 1qse n ARG 97 N 4.67 0.00 -0.03 4.34 1.85 -1.26 -1.55 116.66 124.69 1qse n ARG 97 Ca -0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.74 1qse n ARG 97 Cb 0.43 -1.42 -0.01 0.00 -1.05 0.00 0.00 32.46 30.41 1qse n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1qse n ASP 98 N -0.81 0.57 0.00 2.89 8.00 -1.26 -4.84 116.55 121.10 1qse n ASP 98 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1qse n ASP 98 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 1qse n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04