#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdc s THR 5 N 0.00 1.37 -0.05 2.61 2.01 -1.26 -5.14 115.64 115.19 1cdc s THR 5 Ca 0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1cdc s THR 5 Cb 0.00 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1cdc s THR 5 CO 0.00 0.41 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.43 1cdc s VAL 6 N 0.65 2.33 -0.10 3.82 1.01 -1.26 -5.13 120.40 121.72 1cdc s VAL 6 Ca -0.14 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1cdc s VAL 6 Cb -0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1cdc s VAL 6 CO 0.04 0.58 -0.17 0.26 0.00 0.00 0.00 175.10 175.81 1cdc s TRP 7 N -0.42 2.69 0.13 5.22 0.52 -1.26 -5.12 118.94 120.70 1cdc s TRP 7 Ca 0.04 -0.63 0.07 0.00 0.02 0.00 0.00 56.10 55.61 1cdc s TRP 7 Cb -0.12 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1cdc s TRP 7 CO 0.01 -0.17 -0.17 0.20 0.02 0.00 0.00 176.95 176.85 1cdc s GLY 8 N 0.05 1.20 -0.07 0.98 0.00 -1.26 -5.09 107.32 103.14 1cdc s GLY 8 Ca -0.07 -1.33 -0.14 0.00 0.00 0.00 0.00 44.72 43.18 1cdc s GLY 8 CO 0.05 -1.38 0.35 0.00 0.00 0.00 0.00 173.10 172.12 1cdc s ALA 9 N -1.88 3.67 0.42 3.20 0.00 -1.26 -5.06 121.76 120.86 1cdc s ALA 9 Ca 0.10 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 1cdc s ALA 9 Cb -0.06 -2.36 -0.08 0.00 0.00 0.00 0.00 23.12 20.62 1cdc s ALA 9 CO 0.04 0.36 1.27 -0.51 0.00 0.00 0.00 175.76 176.92 1cdc s LEU 10 N -0.52 4.17 0.00 0.00 1.02 -1.26 -2.86 118.68 119.23 1cdc s LEU 10 Ca 0.21 2.58 0.00 0.00 0.02 0.00 0.00 54.13 56.94 1cdc s LEU 10 Cb -0.15 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 42.08 1cdc s LEU 10 CO 0.09 -0.88 0.00 0.61 0.02 0.00 0.00 176.35 176.20 1cdc n GLY 11 N 0.65 1.12 3.54 -3.19 0.00 -1.26 -5.05 105.19 101.00 1cdc n GLY 11 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1cdc n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cdc s HIS 12 N -3.16 2.29 0.51 1.61 3.76 -1.14 -5.14 115.29 114.03 1cdc s HIS 12 Ca 0.00 -0.71 -0.18 0.00 -0.15 0.00 0.00 55.06 54.02 1cdc s HIS 12 Cb 0.00 -1.49 -0.07 0.00 1.11 0.00 0.00 32.58 32.12 1cdc s HIS 12 CO 0.00 0.35 1.02 0.20 -0.85 0.00 0.00 174.74 175.46 1cdc s GLY 13 N -3.60 2.30 -0.00 -2.22 0.00 -1.26 -4.87 107.32 97.66 1cdc s GLY 13 Ca 0.34 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1cdc s GLY 13 CO 0.16 0.74 -0.01 -1.50 0.00 0.00 0.00 173.10 172.49 1cdc s ILE 14 N -2.27 0.08 -0.23 0.90 1.10 -1.26 -4.95 121.20 114.58 1cdc s ILE 14 Ca 0.64 -0.03 -0.08 0.00 -0.51 0.00 0.00 60.65 60.67 1cdc s ILE 14 Cb -0.14 -0.09 -0.04 0.00 0.15 0.00 0.00 42.46 42.34 1cdc s ILE 14 CO 0.26 0.03 0.10 0.20 -2.11 0.00 0.00 174.94 173.42 1cdc s ASN 15 N 0.09 5.58 -0.48 4.50 -0.87 -1.26 -5.06 114.94 117.44 1cdc s ASN 15 Ca -0.01 -0.02 -0.17 0.00 -1.57 0.00 0.00 52.86 51.10 1cdc s ASN 15 Cb -0.02 -1.99 0.07 0.00 -0.02 0.00 0.00 41.25 39.29 1cdc s ASN 15 CO -0.00 0.06 0.46 -0.76 -2.57 0.00 0.00 177.10 174.29 1cdc s LEU 16 N 1.06 5.44 0.10 0.60 1.43 -1.26 -5.05 118.68 121.00 1cdc s LEU 16 Ca 0.05 -1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 51.70 1cdc s LEU 16 Cb -0.14 -2.26 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 1cdc s LEU 16 CO 0.04 -0.72 0.71 0.20 0.23 0.00 0.00 176.35 176.81 1cdc s ASN 17 N 2.63 7.24 -0.22 2.29 -0.87 -1.26 -5.04 114.94 119.71 1cdc s ASN 17 Ca 0.07 1.47 -0.29 0.00 -1.57 0.00 0.00 52.86 52.54 1cdc s ASN 17 Cb -0.23 -2.45 -0.00 0.00 -0.02 0.00 0.00 41.25 38.55 1cdc s ASN 17 CO 0.08 0.16 1.16 -0.63 -2.57 0.00 0.00 177.10 175.31 1cdc s ILE 18 N -0.76 4.44 0.42 0.60 1.01 -1.26 -5.00 121.20 120.65 1cdc s ILE 18 Ca 0.35 1.72 -0.24 0.00 0.00 0.00 0.00 60.65 62.47 1cdc s ILE 18 Cb -0.21 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.00 1cdc s ILE 18 CO 0.23 -0.22 1.19 -2.16 0.00 0.00 0.00 174.94 173.97 1cdc s PRO 19 N 3.48 3.92 -1.30 2.79 0.04 -1.26 -3.66 135.00 139.00 1cdc s PRO 19 Ca 0.50 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 63.32 1cdc s PRO 19 Cb -0.18 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 31.78 1cdc s PRO 19 CO 0.12 -0.44 0.57 -1.71 0.04 0.00 0.00 177.00 175.58 1cdc n ASN 20 N -0.14 -2.15 -3.78 6.66 4.05 -1.26 -4.95 115.26 113.69 1cdc n ASN 20 Ca 0.05 -1.01 -0.13 0.00 0.45 0.00 0.00 54.58 53.95 1cdc n ASN 20 Cb 0.47 -3.18 -0.14 0.00 1.23 0.00 0.00 39.78 38.16 1cdc n ASN 20 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1cdc s PHE 21 N -3.76 -0.16 -0.10 1.20 5.36 -1.24 -5.12 117.98 114.16 1cdc s PHE 21 Ca 0.18 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1cdc s PHE 21 Cb -0.07 -0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.61 1cdc s PHE 21 CO 0.88 -0.12 -0.08 -1.14 -1.46 0.00 0.00 175.22 173.29 1cdc s GLN 22 N 0.68 1.46 -0.13 10.12 0.74 -1.26 -4.96 119.66 126.31 1cdc s GLN 22 Ca -0.05 -0.25 -0.33 0.00 0.05 0.00 0.00 55.36 54.78 1cdc s GLN 22 Cb -0.07 -1.46 -0.10 0.00 1.10 0.00 0.00 33.01 32.48 1cdc s GLN 22 CO -0.03 -0.20 2.00 -0.12 -0.55 0.00 0.00 175.29 176.39 1cdc n MET 23 N 4.67 2.08 -4.72 1.67 0.00 -1.26 -4.94 117.12 114.63 1cdc n MET 23 Ca -0.15 0.72 -0.32 0.00 -0.00 0.00 0.00 57.70 57.95 1cdc n MET 23 Cb 0.50 -2.77 -0.08 0.00 0.00 0.00 0.00 33.22 30.87 1cdc n MET 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1cdc s THR 24 N 5.31 1.21 -0.02 1.12 -4.23 -1.26 -5.05 115.64 112.72 1cdc s THR 24 Ca 0.96 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.78 1cdc s THR 24 Cb -0.62 -2.29 0.38 0.00 1.34 0.00 0.00 72.50 71.30 1cdc s THR 24 CO 0.47 0.00 1.91 0.44 -0.54 0.00 0.00 174.62 176.90 1cdc h ASP 25 N 1.46 0.00 0.41 3.99 3.32 -2.07 -3.06 116.42 120.46 1cdc h ASP 25 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1cdc h ASP 25 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1cdc h ASP 25 CO 0.73 0.00 -0.01 -0.90 -1.72 0.00 0.00 179.24 177.34 1cdc n ASP 26 N -3.05 0.06 -4.64 6.45 5.75 -1.26 -4.80 116.55 115.07 1cdc n ASP 26 Ca 0.01 -0.40 -0.40 0.00 -0.01 0.00 0.00 54.79 53.99 1cdc n ASP 26 Cb 0.34 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 1cdc n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1cdc s ILE 27 N -2.43 5.00 -0.19 2.12 -1.09 -1.16 -4.96 121.20 118.49 1cdc s ILE 27 Ca 0.33 1.15 0.11 0.00 -2.23 0.00 0.00 60.65 60.01 1cdc s ILE 27 Cb 0.21 -3.94 -0.19 0.00 -1.58 0.00 0.00 42.46 36.96 1cdc s ILE 27 CO 0.44 0.06 -0.03 -0.67 -1.23 0.00 0.00 174.94 173.51 1cdc n ASP 28 N 5.48 1.24 -3.77 3.58 2.03 -1.26 -4.74 116.55 119.11 1cdc n ASP 28 Ca -0.01 -0.04 -0.13 0.00 0.52 0.00 0.00 54.79 55.13 1cdc n ASP 28 Cb 0.49 0.49 -0.11 0.00 -0.72 0.00 0.00 41.12 41.27 1cdc n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1cdc s GLU 29 N -2.43 0.36 -0.12 -0.67 2.12 -1.26 -0.47 118.70 116.23 1cdc s GLU 29 Ca -0.16 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.61 1cdc s GLU 29 Cb 0.06 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.65 1cdc s GLU 29 CO 0.65 -0.04 -0.11 0.08 -0.54 0.00 0.00 175.26 175.29 1cdc s VAL 30 N 0.18 1.30 -0.07 3.70 1.01 -0.79 -4.96 120.40 120.77 1cdc s VAL 30 Ca -0.00 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1cdc s VAL 30 Cb -0.02 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1cdc s VAL 30 CO 0.00 0.41 -0.22 -0.13 0.00 0.00 0.00 175.10 175.17 1cdc s ARG 31 N 1.45 2.66 -0.16 2.72 0.52 -1.26 -0.45 118.95 124.43 1cdc s ARG 31 Ca 0.02 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.37 1cdc s ARG 31 Cb -0.13 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.06 1cdc s ARG 31 CO -0.07 0.40 -0.10 -1.58 0.02 0.00 0.00 175.30 173.97 1cdc s TRP 32 N -0.18 2.88 0.09 -0.53 0.52 -0.36 -5.03 118.94 116.33 1cdc s TRP 32 Ca -0.02 -0.72 0.05 0.00 0.02 0.00 0.00 56.10 55.43 1cdc s TRP 32 Cb -0.14 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 1cdc s TRP 32 CO 0.03 -0.30 -0.14 -1.21 0.02 0.00 0.00 176.95 175.35 1cdc s GLU 33 N 0.69 0.90 -0.34 4.98 2.02 -1.26 -1.27 118.70 124.41 1cdc s GLU 33 Ca -0.05 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 53.89 1cdc s GLU 33 Cb -0.15 -0.87 0.11 0.00 0.10 0.00 0.00 34.13 33.31 1cdc s GLU 33 CO 0.02 0.18 0.11 0.50 0.02 0.00 0.00 175.26 176.09 1cdc s ARG 34 N -2.07 1.05 7.71 1.61 3.52 -0.34 -4.93 118.95 125.51 1cdc s ARG 34 Ca 0.02 -1.48 0.00 0.00 -0.13 0.00 0.00 55.73 54.14 1cdc s ARG 34 Cb -0.08 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 1cdc s ARG 34 CO 0.02 -1.00 0.00 0.41 -0.81 0.00 0.00 175.30 173.93 1cdc n GLY 35 N 4.45 3.61 1.98 8.12 0.00 -1.26 -2.69 105.19 119.40 1cdc n GLY 35 Ca 0.01 0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1cdc n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cdc n SER 36 N 9.37 4.87 -3.80 1.61 7.64 -1.26 -4.90 113.62 127.16 1cdc n SER 36 Ca 0.00 -3.73 -0.17 0.00 1.01 0.00 0.00 58.87 55.98 1cdc n SER 36 Cb 0.00 -0.77 -0.16 0.00 -1.01 0.00 0.00 64.21 62.27 1cdc n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1cdc s THR 37 N -3.96 0.11 0.10 0.44 2.01 -1.10 -1.12 115.64 112.12 1cdc s THR 37 Ca 0.56 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 1cdc s THR 37 Cb 0.46 -0.22 -0.06 0.00 0.01 0.00 0.00 72.50 72.69 1cdc s THR 37 CO 0.03 0.13 0.91 -0.22 -0.69 0.00 0.00 174.62 174.78 1cdc s LEU 38 N 1.09 4.50 -0.16 4.42 0.20 0.26 -1.19 118.68 127.79 1cdc s LEU 38 Ca -0.09 1.71 -0.03 0.00 0.69 0.00 0.00 54.13 56.41 1cdc s LEU 38 Cb -0.13 -3.49 -0.09 0.00 -0.43 0.00 0.00 46.19 42.05 1cdc s LEU 38 CO -0.02 -0.03 -0.17 0.52 -0.29 0.00 0.00 176.35 176.36 1cdc n VAL 39 N 2.71 0.87 -3.45 1.68 0.31 -0.40 -4.66 118.33 115.39 1cdc n VAL 39 Ca 0.01 -0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 1cdc n VAL 39 Cb 0.49 -1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 1cdc n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cdc s ALA 40 N -2.30 -1.58 -0.01 3.52 0.00 -1.14 -5.03 121.76 115.22 1cdc s ALA 40 Ca -0.21 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 1cdc s ALA 40 Cb 0.07 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1cdc s ALA 40 CO 0.32 -0.70 0.20 -1.83 0.00 0.00 0.00 175.76 173.75 1cdc s GLU 41 N -3.37 0.51 -0.16 0.00 -1.05 -1.26 -1.22 118.70 112.15 1cdc s GLU 41 Ca -0.01 -0.25 -0.07 0.00 -0.15 0.00 0.00 54.97 54.50 1cdc s GLU 41 Cb -0.01 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 1cdc s GLU 41 CO -0.10 -0.13 0.07 0.12 0.95 0.00 0.00 175.26 176.18 1cdc s PHE 42 N -1.18 3.30 -0.06 4.83 2.19 0.40 -4.96 117.98 122.50 1cdc s PHE 42 Ca -0.13 0.17 0.01 0.00 0.33 0.00 0.00 56.93 57.32 1cdc s PHE 42 Cb -0.06 -2.02 0.02 0.00 -1.31 0.00 0.00 43.02 39.65 1cdc s PHE 42 CO 0.02 0.30 -0.07 0.15 1.83 0.00 0.00 175.22 177.45 1cdc s LYS 43 N -0.03 1.20 0.12 10.12 -0.14 -1.26 -1.88 119.74 127.87 1cdc s LYS 43 Ca 0.07 -0.22 -0.03 0.00 -1.36 0.00 0.00 55.97 54.43 1cdc s LYS 43 Cb -0.12 -1.12 -0.13 0.00 -1.68 0.00 0.00 37.83 34.77 1cdc s LYS 43 CO 0.01 -0.07 1.27 -0.09 -0.76 0.00 0.00 175.35 175.71 1cdc h ARG 44 N 7.28 0.31 -6.85 1.68 2.43 -1.07 -3.46 114.38 114.71 1cdc h ARG 44 Ca -0.33 -0.39 -0.69 0.00 -0.81 0.00 0.00 59.98 57.76 1cdc h ARG 44 Cb 1.16 0.12 -0.22 0.00 -0.42 0.00 0.00 29.97 30.62 1cdc h ARG 44 CO 0.45 1.10 -0.86 0.15 -1.51 0.00 0.00 179.97 179.31 1cdc s LYS 45 N -3.06 1.54 0.08 0.20 3.01 -1.26 -5.04 119.74 115.20 1cdc s LYS 45 Ca -0.04 -1.28 -0.05 0.00 -1.01 0.00 0.00 55.97 53.58 1cdc s LYS 45 Cb 0.09 -1.96 -0.26 0.00 -1.01 0.00 0.00 37.83 34.69 1cdc s LYS 45 CO 0.86 0.46 1.16 1.98 0.51 0.00 0.00 175.35 180.32 1cdc h MET 46 N 3.96 0.31 -6.90 1.68 1.85 -2.00 -3.46 114.93 110.37 1cdc h MET 46 Ca -0.50 -0.50 -0.51 0.00 -0.61 0.00 0.00 59.70 57.58 1cdc h MET 46 Cb 1.17 0.18 0.05 0.00 0.43 0.00 0.00 31.60 33.42 1cdc h MET 46 CO 0.41 1.22 0.53 0.21 -0.40 0.00 0.00 176.91 178.88 1cdc s LYS 47 N -2.74 4.25 0.47 0.39 2.20 -1.26 -4.98 119.74 118.07 1cdc s LYS 47 Ca -0.05 1.91 -0.23 0.00 -0.36 0.00 0.00 55.97 57.24 1cdc s LYS 47 Cb 0.07 -2.87 -0.09 0.00 -1.51 0.00 0.00 37.83 33.43 1cdc s LYS 47 CO 0.89 -0.17 1.14 -2.30 -0.36 0.00 0.00 175.35 174.54 1cdc n PRO 48 N 0.48 1.52 -2.50 4.03 -0.02 -1.26 -4.94 135.00 132.30 1cdc n PRO 48 Ca 0.02 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 1cdc n PRO 48 Cb 0.45 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1cdc n PRO 48 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1cdc s PHE 49 N -1.29 3.21 -0.12 6.00 5.36 -1.26 -5.04 117.98 124.84 1cdc s PHE 49 Ca 0.65 1.63 -0.04 0.00 -0.96 0.00 0.00 56.93 58.21 1cdc s PHE 49 Cb -0.50 -3.17 0.06 0.00 -0.34 0.00 0.00 43.02 39.07 1cdc s PHE 49 CO 0.55 -0.76 0.24 -1.17 -1.46 0.00 0.00 175.22 172.62 1cdc s LEU 50 N -2.68 -0.16 0.15 6.12 0.20 -1.26 -5.06 118.68 115.99 1cdc s LEU 50 Ca 0.58 0.53 -0.16 0.00 0.69 0.00 0.00 54.13 55.77 1cdc s LEU 50 Cb -0.23 0.61 0.02 0.00 -0.43 0.00 0.00 46.19 46.16 1cdc s LEU 50 CO 0.29 -0.23 1.81 0.50 -0.29 0.00 0.00 176.35 178.42 1cdc h LYS 51 N 8.16 0.55 0.00 1.98 3.64 -1.96 -3.47 116.57 125.48 1cdc h LYS 51 Ca -0.18 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1cdc h LYS 51 Cb 1.12 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1cdc h LYS 51 CO 0.17 0.38 0.30 -1.13 -2.27 0.00 0.00 179.45 176.89 1cdc n SER 52 N -4.79 -1.57 0.00 4.20 3.41 -1.26 -5.03 113.62 108.59 1cdc n SER 52 Ca 0.01 -2.00 0.11 0.00 -0.26 0.00 0.00 58.87 56.73 1cdc n SER 52 Cb 0.03 2.59 0.65 0.00 -0.26 0.00 0.00 64.21 67.22 1cdc n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cdc n GLY 53 N -0.45 -0.72 0.23 5.00 0.00 -1.26 -2.95 105.19 105.04 1cdc n GLY 53 Ca -0.05 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1cdc n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cdc h ALA 54 N 3.35 0.97 -2.01 4.61 0.00 -1.96 -3.46 119.26 120.76 1cdc h ALA 54 Ca 0.00 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 1cdc h ALA 54 Cb 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1cdc h ALA 54 CO 0.00 0.16 -0.69 -0.06 0.00 0.00 0.00 179.25 178.67 1cdc s PHE 55 N -3.49 2.22 -0.15 0.00 0.08 -1.15 -0.36 117.98 115.13 1cdc s PHE 55 Ca 0.02 -0.56 -0.12 0.00 0.12 0.00 0.00 56.93 56.40 1cdc s PHE 55 Cb 0.08 -1.25 0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1cdc s PHE 55 CO 0.62 0.48 0.38 -2.00 -0.10 0.00 0.00 175.22 174.61 1cdc s GLU 56 N -3.64 0.42 -0.20 0.44 2.12 -0.74 -4.86 118.70 112.23 1cdc s GLU 56 Ca 0.31 0.58 -0.14 0.00 0.36 0.00 0.00 54.97 56.08 1cdc s GLU 56 Cb 0.02 0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 1cdc s GLU 56 CO 0.15 -0.08 0.32 -1.50 -0.54 0.00 0.00 175.26 173.61 1cdc s ILE 57 N 0.51 5.26 0.62 -3.70 1.10 -1.26 -0.97 121.20 122.75 1cdc s ILE 57 Ca -0.02 0.56 -0.07 0.00 -0.51 0.00 0.00 60.65 60.60 1cdc s ILE 57 Cb -0.04 -3.66 0.01 0.00 0.15 0.00 0.00 42.46 38.92 1cdc s ILE 57 CO -0.03 0.30 0.94 -0.76 -2.11 0.00 0.00 174.94 173.29 1cdc s LEU 58 N 1.08 3.14 0.12 8.50 1.02 -0.08 -4.98 118.68 127.49 1cdc s LEU 58 Ca 0.16 0.76 0.22 0.00 0.02 0.00 0.00 54.13 55.29 1cdc s LEU 58 Cb -0.14 -3.57 0.87 0.00 0.02 0.00 0.00 46.19 43.37 1cdc s LEU 58 CO 0.06 -1.16 1.67 0.00 0.02 0.00 0.00 176.35 176.94 1cdc n ALA 59 N -2.68 1.85 1.28 4.21 0.00 -1.26 -1.54 120.51 122.36 1cdc n ALA 59 Ca 0.05 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1cdc n ALA 59 Cb 0.58 -1.36 0.34 0.00 0.00 0.00 0.00 19.45 19.01 1cdc n ALA 59 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cdc n ASN 60 N -1.88 1.92 0.00 0.00 6.94 -1.26 -4.96 115.26 116.02 1cdc n ASN 60 Ca 0.04 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 1cdc n ASN 60 Cb 0.25 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1cdc n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cdc n GLY 61 N 1.27 0.47 3.82 4.83 0.00 -0.59 -5.07 105.19 109.92 1cdc n GLY 61 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1cdc n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cdc s ASP 62 N -2.87 6.50 -0.15 1.61 1.01 -1.26 -4.75 116.67 116.76 1cdc s ASP 62 Ca 0.00 1.75 -0.07 0.00 0.71 0.00 0.00 52.55 54.94 1cdc s ASP 62 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1cdc s ASP 62 CO 0.00 -0.67 0.08 -0.22 0.21 0.00 0.00 175.17 174.57 1cdc s LEU 63 N -3.70 3.95 -0.13 1.23 2.96 -1.26 -0.90 118.68 120.82 1cdc s LEU 63 Ca 0.63 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.69 1cdc s LEU 63 Cb -0.12 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1cdc s LEU 63 CO 0.23 0.26 0.01 -0.75 -1.32 0.00 0.00 176.35 174.78 1cdc s LYS 64 N -0.14 3.46 -0.26 1.98 2.20 -0.15 -5.00 119.74 121.84 1cdc s LYS 64 Ca 0.08 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.21 1cdc s LYS 64 Cb -0.12 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 1cdc s LYS 64 CO 0.01 0.45 0.05 0.42 -0.36 0.00 0.00 175.35 175.92 1cdc s ILE 65 N -0.19 3.95 0.20 5.43 1.01 -1.26 -1.80 121.20 128.54 1cdc s ILE 65 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1cdc s ILE 65 Cb -0.12 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1cdc s ILE 65 CO 0.02 0.25 1.53 0.11 0.00 0.00 0.00 174.94 176.85 1cdc h LYS 66 N 8.21 0.59 -2.65 2.79 1.57 -1.05 -3.42 116.57 122.61 1cdc h LYS 66 Ca -0.36 -0.34 -0.46 0.00 -1.87 0.00 0.00 60.65 57.62 1cdc h LYS 66 Cb 1.15 0.03 -0.38 0.00 0.08 0.00 0.00 32.23 33.11 1cdc h LYS 66 CO 0.59 0.95 -0.73 1.21 -0.57 0.00 0.00 179.45 180.90 1cdc s ASN 67 N -6.89 2.81 0.23 0.86 2.47 -1.26 -5.12 114.94 108.03 1cdc s ASN 67 Ca -0.08 -1.01 -0.31 0.00 0.42 0.00 0.00 52.86 51.89 1cdc s ASN 67 Cb 0.12 -0.08 -0.11 0.00 -1.45 0.00 0.00 41.25 39.73 1cdc s ASN 67 CO 0.84 -0.41 1.55 -0.76 -3.72 0.00 0.00 177.10 174.60 1cdc s LEU 68 N 2.18 4.37 0.45 3.21 1.43 -1.26 -5.02 118.68 124.04 1cdc s LEU 68 Ca 0.08 2.75 0.05 0.00 -1.03 0.00 0.00 54.13 55.98 1cdc s LEU 68 Cb -0.15 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1cdc s LEU 68 CO -0.31 -0.83 0.07 0.42 0.23 0.00 0.00 176.35 175.93 1cdc s THR 69 N 0.50 1.82 0.38 5.49 -4.23 -1.26 -5.05 115.64 113.30 1cdc s THR 69 Ca 0.66 -1.90 0.15 0.00 -1.18 0.00 0.00 61.69 59.41 1cdc s THR 69 Cb -0.45 -2.72 0.13 0.00 1.34 0.00 0.00 72.50 70.80 1cdc s THR 69 CO 0.39 0.00 1.88 0.03 -0.54 0.00 0.00 174.62 176.38 1cdc h ARG 70 N 1.52 0.00 0.00 3.99 3.08 -2.00 -2.33 114.38 118.64 1cdc h ARG 70 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1cdc h ARG 70 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1cdc h ARG 70 CO 0.75 0.31 0.00 -3.47 -1.07 0.00 0.00 179.97 176.49 1cdc n ASP 71 N -4.08 0.00 -0.08 7.04 2.03 -1.26 -3.32 116.55 116.88 1cdc n ASP 71 Ca -0.02 0.39 0.13 0.00 0.52 0.00 0.00 54.79 55.82 1cdc n ASP 71 Cb 0.36 -0.46 0.45 0.00 -0.72 0.00 0.00 41.12 40.75 1cdc n ASP 71 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1cdc n ASP 72 N -1.46 0.51 -4.80 1.67 8.00 -0.87 -4.90 116.55 114.70 1cdc n ASP 72 Ca 0.06 -0.35 -0.32 0.00 0.71 0.00 0.00 54.79 54.89 1cdc n ASP 72 Cb 0.25 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 1cdc n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1cdc s SER 73 N -2.74 5.35 0.00 -2.24 1.04 -1.21 -4.89 113.70 109.02 1cdc s SER 73 Ca 0.20 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.43 1cdc s SER 73 Cb 0.19 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1cdc s SER 73 CO 0.57 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1cdc n GLY 74 N -1.18 0.75 3.80 7.32 0.00 -0.70 -4.94 105.19 110.24 1cdc n GLY 74 Ca 0.09 -2.09 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 1cdc n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cdc s THR 75 N -1.10 5.31 -0.08 2.61 2.01 -1.26 -0.89 115.64 122.24 1cdc s THR 75 Ca 0.00 0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.51 1cdc s THR 75 Cb 0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.93 1cdc s THR 75 CO 0.00 0.51 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.94 1cdc s TYR 76 N -0.41 2.62 -0.13 4.92 1.51 0.42 -4.93 117.35 121.35 1cdc s TYR 76 Ca 0.17 -0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 55.60 1cdc s TYR 76 Cb -0.13 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1cdc s TYR 76 CO 0.06 -0.15 -0.08 -0.80 -1.11 0.00 0.00 175.55 173.47 1cdc s ASN 77 N -0.09 4.48 -0.06 2.29 0.01 -1.26 -0.18 114.94 120.13 1cdc s ASN 77 Ca -0.04 -0.18 0.04 0.00 -0.71 0.00 0.00 52.86 51.97 1cdc s ASN 77 Cb -0.14 -1.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.92 1cdc s ASN 77 CO 0.04 0.20 -0.19 0.54 -1.51 0.00 0.00 177.10 176.18 1cdc s VAL 78 N 0.14 1.62 -0.04 1.60 0.11 -0.14 -5.01 120.40 118.69 1cdc s VAL 78 Ca -0.04 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 1cdc s VAL 78 Cb -0.14 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.31 1cdc s VAL 78 CO 0.04 0.46 -0.11 0.42 -3.33 0.00 0.00 175.10 172.58 1cdc s THR 79 N 0.17 0.93 -0.07 5.04 -4.23 -1.26 -1.09 115.64 115.14 1cdc s THR 79 Ca -0.09 -0.42 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 1cdc s THR 79 Cb -0.14 -0.83 -0.00 0.00 1.34 0.00 0.00 72.50 72.87 1cdc s THR 79 CO 0.04 0.29 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.50 1cdc s VAL 80 N 0.29 1.87 -0.02 2.29 1.01 -0.85 -5.00 120.40 120.00 1cdc s VAL 80 Ca -0.06 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.05 1cdc s VAL 80 Cb -0.11 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1cdc s VAL 80 CO 0.01 0.52 -0.24 -0.31 0.00 0.00 0.00 175.10 175.08 1cdc s TYR 81 N 0.10 2.18 0.77 5.22 1.51 -1.26 -0.57 117.35 125.29 1cdc s TYR 81 Ca -0.09 -0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 55.50 1cdc s TYR 81 Cb -0.15 -1.40 0.14 0.00 -0.11 0.00 0.00 41.96 40.44 1cdc s TYR 81 CO 0.05 -0.05 1.06 -1.54 -1.11 0.00 0.00 175.55 173.97 1cdc s SER 82 N -0.55 4.11 0.47 2.29 1.04 -0.35 -4.92 113.70 115.80 1cdc s SER 82 Ca 0.09 -0.20 0.23 0.00 0.48 0.00 0.00 55.95 56.54 1cdc s SER 82 Cb -0.10 -0.12 1.26 0.00 0.10 0.00 0.00 66.02 67.16 1cdc s SER 82 CO -0.01 -2.03 1.89 0.74 0.98 0.00 0.00 173.24 174.82 1cdc h THR 83 N -0.76 0.66 -0.46 2.02 2.02 -2.01 -2.35 112.91 112.03 1cdc h THR 83 Ca -0.38 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1cdc h THR 83 Cb 1.26 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1cdc h THR 83 CO 0.41 0.04 0.00 -0.46 0.37 0.00 0.00 175.52 175.87 1cdc n ASN 84 N -4.41 2.67 0.00 4.18 0.23 -1.26 -4.94 115.26 111.74 1cdc n ASN 84 Ca 0.17 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 1cdc n ASN 84 Cb 0.75 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1cdc n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cdc n GLY 85 N 1.31 0.74 3.74 4.83 0.00 -0.88 -4.87 105.19 110.06 1cdc n GLY 85 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1cdc n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cdc s THR 86 N -2.82 3.40 -0.57 2.61 2.01 -1.26 -0.58 115.64 118.44 1cdc s THR 86 Ca 0.00 1.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.96 1cdc s THR 86 Cb 0.00 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1cdc s THR 86 CO 0.00 0.21 1.02 -0.60 -0.69 0.00 0.00 174.62 174.56 1cdc s ARG 87 N -0.45 3.37 0.22 4.92 3.52 -0.28 -1.22 118.95 129.03 1cdc s ARG 87 Ca 0.53 -0.13 -0.05 0.00 -0.13 0.00 0.00 55.73 55.94 1cdc s ARG 87 Cb -0.34 -4.05 0.19 0.00 -1.56 0.00 0.00 34.95 29.19 1cdc s ARG 87 CO 0.39 -1.57 1.66 0.82 -0.81 0.00 0.00 175.30 175.79 1cdc h ILE 88 N 6.06 1.26 -2.92 4.11 1.08 -1.17 -3.47 117.51 122.47 1cdc h ILE 88 Ca -0.26 -1.20 -0.07 0.00 -0.39 0.00 0.00 64.86 62.94 1cdc h ILE 88 Cb 1.07 1.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.66 1cdc h ILE 88 CO 1.12 0.42 -0.04 -0.22 -0.69 0.00 0.00 178.15 178.74 1cdc s LEU 89 N -9.10 0.19 -0.32 1.44 0.20 -1.23 -4.99 118.68 104.88 1cdc s LEU 89 Ca -0.10 0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.80 1cdc s LEU 89 Cb 0.14 1.92 0.14 0.00 -0.43 0.00 0.00 46.19 47.95 1cdc s LEU 89 CO 0.84 -0.69 0.32 -0.62 -0.29 0.00 0.00 176.35 175.91 1cdc s ASP 90 N -2.00 1.54 0.18 3.68 2.15 -1.26 -2.00 116.67 118.97 1cdc s ASP 90 Ca -0.05 -1.09 0.09 0.00 0.43 0.00 0.00 52.55 51.93 1cdc s ASP 90 Cb -0.01 0.50 -0.04 0.00 -0.30 0.00 0.00 42.92 43.07 1cdc s ASP 90 CO -0.02 -0.34 -0.19 -0.54 -0.17 0.00 0.00 175.17 173.91 1cdc s LYS 91 N 2.00 1.34 -0.05 4.34 -0.14 -0.25 -5.00 119.74 121.98 1cdc s LYS 91 Ca 0.12 -1.46 0.06 0.00 -1.36 0.00 0.00 55.97 53.33 1cdc s LYS 91 Cb -0.15 -1.43 -0.01 0.00 -1.68 0.00 0.00 37.83 34.57 1cdc s LYS 91 CO -0.22 0.29 -0.24 0.00 -0.76 0.00 0.00 175.35 174.42 1cdc s ALA 92 N -2.09 2.11 -0.03 5.17 0.00 -1.26 -0.97 121.76 124.69 1cdc s ALA 92 Ca 0.18 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1cdc s ALA 92 Cb -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1cdc s ALA 92 CO 0.08 0.41 -0.24 -0.51 0.00 0.00 0.00 175.76 175.50 1cdc s LEU 93 N -0.18 2.04 -0.26 0.00 1.43 0.75 -4.94 118.68 117.52 1cdc s LEU 93 Ca -0.03 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1cdc s LEU 93 Cb -0.13 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1cdc s LEU 93 CO 0.03 0.28 0.04 -0.62 0.23 0.00 0.00 176.35 176.31 1cdc s ASP 94 N -0.45 4.86 -0.32 2.29 2.15 -1.26 -0.43 116.67 123.51 1cdc s ASP 94 Ca 0.06 -0.47 -0.18 0.00 0.43 0.00 0.00 52.55 52.39 1cdc s ASP 94 Cb -0.10 -1.84 -0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1cdc s ASP 94 CO 0.00 -0.09 0.51 -0.22 -0.17 0.00 0.00 175.17 175.20 1cdc s LEU 95 N 1.52 4.24 -0.08 -1.34 0.20 -0.07 -4.94 118.68 118.21 1cdc s LEU 95 Ca 0.05 0.15 0.02 0.00 0.69 0.00 0.00 54.13 55.03 1cdc s LEU 95 Cb -0.16 -2.61 -0.02 0.00 -0.43 0.00 0.00 46.19 42.97 1cdc s LEU 95 CO 0.01 -0.41 -0.12 -0.13 -0.29 0.00 0.00 176.35 175.40 1cdc s ARG 96 N 2.37 2.85 -0.12 1.98 1.81 -1.26 -1.72 118.95 124.86 1cdc s ARG 96 Ca 0.19 -0.66 -0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1cdc s ARG 96 Cb -0.15 -2.52 -0.02 0.00 -0.45 0.00 0.00 34.95 31.81 1cdc s ARG 96 CO 0.12 0.50 -0.11 0.42 -0.68 0.00 0.00 175.30 175.55 1cdc s ILE 97 N -0.39 3.30 0.06 1.52 1.01 -1.26 -5.06 121.20 120.38 1cdc s ILE 97 Ca 0.05 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 1cdc s ILE 97 Cb -0.12 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1cdc s ILE 97 CO 0.02 0.53 0.32 -0.76 0.00 0.00 0.00 174.94 175.05 1cdc s LEU 98 N 0.09 4.34 0.00 2.97 1.43 -1.26 -5.17 118.68 121.07 1cdc s LEU 98 Ca -0.04 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1cdc s LEU 98 Cb -0.14 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1cdc s LEU 98 CO 0.04 0.17 0.30 -0.62 0.23 0.00 0.00 176.35 176.47