#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 5.25 -0.07 2.61 2.01 -1.26 -5.10 115.64 119.09 1cdc s THR 5 Ca 0.00 0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.68 1cdc s THR 5 Cb 0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1cdc s THR 5 CO 0.00 0.44 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.44 1cdc s VAL 6 N 0.06 2.00 -0.16 3.82 1.01 -1.26 -5.12 120.40 120.75 1cdc s VAL 6 Ca 0.19 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1cdc s VAL 6 Cb -0.14 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1cdc s VAL 6 CO 0.07 0.55 -0.12 0.26 0.00 0.00 0.00 175.10 175.86 1cdc s TRP 7 N 0.02 2.84 0.42 5.22 0.52 -1.26 -5.12 118.94 121.58 1cdc s TRP 7 Ca -0.09 -0.87 0.05 0.00 0.02 0.00 0.00 56.10 55.22 1cdc s TRP 7 Cb -0.15 -1.92 -0.06 0.00 -1.15 0.00 0.00 33.47 30.19 1cdc s TRP 7 CO 0.05 -0.39 0.02 0.20 0.02 0.00 0.00 176.95 176.86 1cdc s GLY 8 N 0.78 2.55 -0.12 0.98 0.00 -1.26 -5.11 107.32 105.14 1cdc s GLY 8 Ca -0.05 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 42.90 1cdc s GLY 8 CO 0.01 -2.06 -0.15 0.00 0.00 0.00 0.00 173.10 170.90 1cdc s ALA 9 N -2.88 2.54 0.16 3.20 0.00 -1.26 -5.08 121.76 118.45 1cdc s ALA 9 Ca 0.28 -0.91 -0.34 0.00 0.00 0.00 0.00 51.96 51.00 1cdc s ALA 9 Cb 0.08 -1.13 -0.15 0.00 0.00 0.00 0.00 23.12 21.92 1cdc s ALA 9 CO 0.14 0.27 1.45 -0.11 0.00 0.00 0.00 175.76 177.52 1cdc n LEU 10 N 3.46 2.65 0.00 0.00 7.94 -1.26 -2.06 117.00 127.72 1cdc n LEU 10 Ca -0.18 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1cdc n LEU 10 Cb 0.53 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1cdc n LEU 10 CO 0.30 -0.58 0.00 0.61 -1.11 0.00 0.00 177.39 176.61 1cdc n GLY 11 N 2.82 0.91 3.54 -3.96 0.00 -1.26 -5.03 105.19 102.21 1cdc n GLY 11 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.61 2.33 0.52 1.61 3.76 -0.88 -5.15 115.29 113.87 1cdc s HIS 12 Ca 0.00 -0.63 -0.06 0.00 -0.15 0.00 0.00 55.06 54.22 1cdc s HIS 12 Cb 0.00 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 1cdc s HIS 12 CO 0.00 0.44 0.84 0.20 -0.85 0.00 0.00 174.74 175.37 1cdc s GLY 13 N -3.61 1.54 -0.08 -2.22 0.00 -1.26 -4.77 107.32 96.92 1cdc s GLY 13 Ca 0.33 -0.46 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 1cdc s GLY 13 CO 0.16 -0.26 0.33 -1.50 0.00 0.00 0.00 173.10 171.83 1cdc s ILE 14 N -2.85 0.03 -0.22 0.90 2.07 -1.26 -4.82 121.20 115.05 1cdc s ILE 14 Ca 0.49 -0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.48 1cdc s ILE 14 Cb -0.10 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.92 1cdc s ILE 14 CO 0.46 -0.11 -0.00 0.20 -1.91 0.00 0.00 174.94 173.58 1cdc s ASN 15 N -0.49 4.65 -0.35 4.50 0.01 -1.26 -5.08 114.94 116.93 1cdc s ASN 15 Ca -0.06 -0.30 -0.18 0.00 -0.71 0.00 0.00 52.86 51.61 1cdc s ASN 15 Cb -0.04 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.81 1cdc s ASN 15 CO 0.02 -0.01 0.51 -0.76 -1.51 0.00 0.00 177.10 175.35 1cdc s LEU 16 N 1.41 4.34 0.14 0.60 1.43 -1.26 -5.04 118.68 120.30 1cdc s LEU 16 Ca 0.05 -0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 52.88 1cdc s LEU 16 Cb -0.15 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.43 1cdc s LEU 16 CO -0.00 -0.47 0.78 0.20 0.23 0.00 0.00 176.35 177.10 1cdc s ASN 17 N 1.75 7.36 -0.08 2.29 0.01 -1.26 -5.03 114.94 119.97 1cdc s ASN 17 Ca 0.18 1.61 -0.30 0.00 -0.71 0.00 0.00 52.86 53.65 1cdc s ASN 17 Cb -0.15 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 1cdc s ASN 17 CO 0.13 0.16 1.53 -0.63 -1.51 0.00 0.00 177.10 176.78 1cdc s ILE 18 N -0.86 3.79 0.28 0.60 1.01 -1.26 -4.96 121.20 119.79 1cdc s ILE 18 Ca 0.37 0.96 -0.29 0.00 0.00 0.00 0.00 60.65 61.68 1cdc s ILE 18 Cb -0.23 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 1cdc s ILE 18 CO 0.26 -0.08 1.40 -2.84 0.00 0.00 0.00 174.94 173.68 1cdc s PRO 19 N 3.83 4.28 -1.29 2.79 0.02 -1.26 -3.84 135.00 139.53 1cdc s PRO 19 Ca 0.68 2.30 -0.13 0.00 0.02 0.00 0.00 61.00 63.86 1cdc s PRO 19 Cb -0.30 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.14 1cdc s PRO 19 CO 0.25 -0.36 0.55 0.09 -0.33 0.00 0.00 177.00 177.20 1cdc n ASN 20 N 1.76 -2.55 -3.72 2.53 5.03 -1.26 -4.96 115.26 112.09 1cdc n ASN 20 Ca 0.04 -1.09 -0.13 0.00 0.87 0.00 0.00 54.58 54.27 1cdc n ASN 20 Cb 0.41 -2.78 -0.08 0.00 -1.02 0.00 0.00 39.78 36.30 1cdc n ASN 20 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1cdc s PHE 21 N -3.76 -0.23 -0.03 3.10 5.36 -1.25 -5.13 117.98 116.04 1cdc s PHE 21 Ca 0.25 0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1cdc s PHE 21 Cb -0.11 0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.75 1cdc s PHE 21 CO 0.90 -0.46 0.02 -0.65 -1.46 0.00 0.00 175.22 173.58 1cdc s GLN 22 N -1.72 0.06 0.10 10.12 -1.52 -1.26 -4.96 119.66 120.48 1cdc s GLN 22 Ca -0.10 0.18 -0.31 0.00 -1.95 0.00 0.00 55.36 53.17 1cdc s GLN 22 Cb -0.03 -0.35 -0.08 0.00 -0.22 0.00 0.00 33.01 32.32 1cdc s GLN 22 CO 0.02 -0.18 1.50 1.41 -0.25 0.00 0.00 175.29 177.79 1cdc s MET 23 N 1.19 4.26 0.39 2.91 -2.45 -1.26 -5.02 119.30 119.32 1cdc s MET 23 Ca -0.08 2.19 0.04 0.00 -1.25 0.00 0.00 55.69 56.59 1cdc s MET 23 Cb -0.13 -3.36 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 1cdc s MET 23 CO -0.03 -0.57 0.11 0.95 1.05 0.00 0.00 175.02 176.53 1cdc s THR 24 N 1.69 0.76 0.37 10.11 -4.23 -1.26 -5.05 115.64 118.02 1cdc s THR 24 Ca 0.68 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.50 1cdc s THR 24 Cb -0.38 -2.45 0.33 0.00 1.34 0.00 0.00 72.50 71.34 1cdc s THR 24 CO 0.30 0.00 2.08 0.44 -0.54 0.00 0.00 174.62 176.90 1cdc h ASP 25 N 1.86 0.00 1.24 3.99 3.32 -2.07 -2.66 116.42 122.09 1cdc h ASP 25 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1cdc h ASP 25 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1cdc h ASP 25 CO 0.61 0.09 0.00 0.47 -1.72 0.00 0.00 179.24 178.68 1cdc n ASP 26 N -3.42 0.69 -4.67 6.45 8.00 -1.26 -4.83 116.55 117.50 1cdc n ASP 26 Ca -0.01 0.59 -0.40 0.00 0.71 0.00 0.00 54.79 55.67 1cdc n ASP 26 Cb 0.24 -0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 40.53 1cdc n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cdc s ILE 27 N -3.14 4.99 -0.02 0.53 -1.09 -1.01 -4.95 121.20 116.51 1cdc s ILE 27 Ca 0.09 1.35 0.15 0.00 -2.23 0.00 0.00 60.65 60.02 1cdc s ILE 27 Cb 0.12 -4.01 -0.23 0.00 -1.58 0.00 0.00 42.46 36.75 1cdc s ILE 27 CO 0.54 0.11 0.33 0.47 -1.23 0.00 0.00 174.94 175.15 1cdc n ASP 28 N 4.90 1.55 -3.76 3.58 9.92 -1.26 -4.77 116.55 126.70 1cdc n ASP 28 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 1cdc n ASP 28 Cb 0.50 1.68 -0.11 0.00 -0.64 0.00 0.00 41.12 42.55 1cdc n ASP 28 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1cdc s GLU 29 N -3.04 0.39 -0.07 -1.24 2.12 -1.26 -1.74 118.70 113.86 1cdc s GLU 29 Ca -0.06 0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.70 1cdc s GLU 29 Cb 0.10 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1cdc s GLU 29 CO 0.63 -0.05 -0.16 0.08 -0.54 0.00 0.00 175.26 175.21 1cdc s VAL 30 N 0.04 1.43 -0.09 3.70 1.01 -0.76 -4.97 120.40 120.76 1cdc s VAL 30 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1cdc s VAL 30 Cb -0.02 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1cdc s VAL 30 CO 0.01 0.42 -0.18 -0.13 0.00 0.00 0.00 175.10 175.22 1cdc s ARG 31 N 0.40 2.41 -0.20 2.72 0.52 -1.26 -0.83 118.95 122.71 1cdc s ARG 31 Ca -0.12 -0.65 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 1cdc s ARG 31 Cb -0.15 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1cdc s ARG 31 CO 0.04 0.05 -0.03 -1.58 0.02 0.00 0.00 175.30 173.81 1cdc s TRP 32 N 0.65 2.99 0.14 -0.53 0.52 -0.56 -5.04 118.94 117.11 1cdc s TRP 32 Ca -0.13 -0.66 0.07 0.00 0.02 0.00 0.00 56.10 55.39 1cdc s TRP 32 Cb -0.16 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 1cdc s TRP 32 CO 0.04 -0.36 -0.15 -1.21 0.02 0.00 0.00 176.95 175.29 1cdc s GLU 33 N 1.14 1.11 -0.06 4.98 2.02 -1.26 -1.49 118.70 125.14 1cdc s GLU 33 Ca 0.02 -1.32 -0.02 0.00 0.02 0.00 0.00 54.97 53.67 1cdc s GLU 33 Cb -0.15 -1.02 0.04 0.00 0.10 0.00 0.00 34.13 33.10 1cdc s GLU 33 CO 0.00 0.20 0.11 -0.98 0.02 0.00 0.00 175.26 174.61 1cdc s ARG 34 N -2.81 -0.00 7.96 1.61 1.70 0.36 -4.91 118.95 122.86 1cdc s ARG 34 Ca 0.12 0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.79 1cdc s ARG 34 Cb -0.05 -0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.02 1cdc s ARG 34 CO 0.04 -0.26 0.00 0.41 -1.08 0.00 0.00 175.30 174.41 1cdc n GLY 35 N 4.91 4.00 1.32 3.88 0.00 -1.26 -1.63 105.19 116.42 1cdc n GLY 35 Ca -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 8.27 3.69 -4.17 1.61 7.64 -1.26 -4.93 113.62 124.47 1cdc n SER 36 Ca 0.00 -3.33 -0.29 0.00 1.01 0.00 0.00 58.87 56.25 1cdc n SER 36 Cb 0.00 -0.64 -0.17 0.00 -1.01 0.00 0.00 64.21 62.39 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 -3.03 1.75 0.06 0.44 2.01 -0.65 0.16 115.64 116.39 1cdc s THR 37 Ca 0.47 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 1cdc s THR 37 Cb 0.39 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1cdc s THR 37 CO 0.07 0.49 0.99 -0.22 -0.69 0.00 0.00 174.62 175.27 1cdc s LEU 38 N 0.24 4.43 -0.22 4.42 0.20 0.23 -0.48 118.68 127.51 1cdc s LEU 38 Ca -0.12 1.77 -0.07 0.00 0.69 0.00 0.00 54.13 56.40 1cdc s LEU 38 Cb -0.15 -3.58 -0.11 0.00 -0.43 0.00 0.00 46.19 41.92 1cdc s LEU 38 CO 0.06 -0.19 -0.25 0.52 -0.29 0.00 0.00 176.35 176.20 1cdc n VAL 39 N 3.33 1.21 -3.50 1.68 0.31 -0.56 -4.75 118.33 116.05 1cdc n VAL 39 Ca 0.04 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.89 1cdc n VAL 39 Cb 0.50 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.41 -1.76 0.06 3.52 0.00 -1.16 -5.03 121.76 114.98 1cdc s ALA 40 Ca -0.30 1.05 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1cdc s ALA 40 Cb 0.10 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1cdc s ALA 40 CO 0.42 -0.55 -0.14 -1.21 0.00 0.00 0.00 175.76 174.28 1cdc s GLU 41 N -2.37 0.86 -0.11 0.00 2.02 -1.26 -1.49 118.70 116.35 1cdc s GLU 41 Ca -0.02 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.09 1cdc s GLU 41 Cb -0.01 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.34 1cdc s GLU 41 CO -0.02 0.20 -0.05 0.12 0.02 0.00 0.00 175.26 175.52 1cdc s PHE 42 N -1.09 2.99 0.07 1.61 2.19 -0.01 -4.97 117.98 118.76 1cdc s PHE 42 Ca -0.01 -0.13 0.06 0.00 0.33 0.00 0.00 56.93 57.18 1cdc s PHE 42 Cb -0.09 -1.83 -0.03 0.00 -1.31 0.00 0.00 43.02 39.77 1cdc s PHE 42 CO 0.02 0.16 -0.15 0.15 1.83 0.00 0.00 175.22 177.23 1cdc s LYS 43 N -0.27 0.90 -0.20 10.12 -0.14 -1.26 -1.83 119.74 127.06 1cdc s LYS 43 Ca 0.04 -0.94 0.13 0.00 -1.36 0.00 0.00 55.97 53.84 1cdc s LYS 43 Cb -0.13 -0.95 -0.21 0.00 -1.68 0.00 0.00 37.83 34.86 1cdc s LYS 43 CO 0.02 0.22 -0.00 -2.13 -0.76 0.00 0.00 175.35 172.70 1cdc n ARG 44 N 1.41 0.89 -4.10 1.68 0.63 -0.71 -5.00 116.66 111.45 1cdc n ARG 44 Ca -0.20 0.03 -0.30 0.00 -0.92 0.00 0.00 57.85 56.45 1cdc n ARG 44 Cb 0.54 -1.47 -0.07 0.00 0.45 0.00 0.00 32.46 31.90 1cdc n ARG 44 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1cdc s LYS 45 N -2.45 2.69 0.10 -0.14 -0.14 -1.26 -5.05 119.74 113.49 1cdc s LYS 45 Ca -0.15 -0.77 -0.13 0.00 -1.36 0.00 0.00 55.97 53.56 1cdc s LYS 45 Cb 0.06 -2.62 -0.16 0.00 -1.68 0.00 0.00 37.83 33.43 1cdc s LYS 45 CO 0.70 0.55 1.30 0.52 -0.76 0.00 0.00 175.35 177.67 1cdc h MET 46 N 3.42 0.78 -6.84 1.68 2.86 -2.00 -3.46 114.93 111.37 1cdc h MET 46 Ca -0.47 -0.64 -0.49 0.00 -2.06 0.00 0.00 59.70 56.04 1cdc h MET 46 Cb 1.16 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1cdc h MET 46 CO 0.62 1.24 0.42 0.15 1.06 0.00 0.00 176.91 180.40 1cdc s LYS 47 N -3.75 4.57 0.44 1.72 1.02 -1.26 -5.04 119.74 117.44 1cdc s LYS 47 Ca -0.11 1.61 -0.25 0.00 0.02 0.00 0.00 55.97 57.24 1cdc s LYS 47 Cb 0.08 -3.00 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 1cdc s LYS 47 CO 0.90 0.20 1.33 -1.25 -0.92 0.00 0.00 175.35 175.61 1cdc s PRO 48 N -1.72 3.75 0.45 -1.68 0.05 -1.26 -4.97 135.00 129.62 1cdc s PRO 48 Ca 0.48 2.19 -0.24 0.00 0.05 0.00 0.00 61.00 63.48 1cdc s PRO 48 Cb -0.27 -2.62 -0.08 0.00 0.05 0.00 0.00 34.50 31.59 1cdc s PRO 48 CO 0.34 -0.68 1.25 0.12 0.05 0.00 0.00 177.00 178.07 1cdc s PHE 49 N -1.28 2.78 -0.11 0.56 5.36 -1.26 -5.04 117.98 118.99 1cdc s PHE 49 Ca 0.61 1.47 -0.04 0.00 -0.96 0.00 0.00 56.93 58.01 1cdc s PHE 49 Cb -0.39 -3.55 0.06 0.00 -0.34 0.00 0.00 43.02 38.80 1cdc s PHE 49 CO 0.49 -1.92 0.19 -1.17 -1.46 0.00 0.00 175.22 171.35 1cdc s LEU 50 N -2.83 -0.12 0.15 6.12 2.96 -1.26 -5.07 118.68 118.63 1cdc s LEU 50 Ca 0.62 0.30 -0.18 0.00 -0.22 0.00 0.00 54.13 54.64 1cdc s LEU 50 Cb -0.34 0.37 0.06 0.00 0.50 0.00 0.00 46.19 46.78 1cdc s LEU 50 CO 0.42 -0.26 1.68 0.50 -1.32 0.00 0.00 176.35 177.38 1cdc h LYS 51 N 8.34 0.00 0.00 1.98 3.64 -1.96 -3.47 116.57 125.11 1cdc h LYS 51 Ca -0.14 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1cdc h LYS 51 Cb 1.12 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1cdc h LYS 51 CO 0.16 0.00 0.36 -1.13 -2.27 0.00 0.00 179.45 176.57 1cdc n SER 52 N -5.27 -1.20 0.04 4.20 3.41 -1.26 -5.03 113.62 108.50 1cdc n SER 52 Ca 0.01 -1.67 0.08 0.00 -0.26 0.00 0.00 58.87 57.02 1cdc n SER 52 Cb 0.19 1.97 0.33 0.00 -0.26 0.00 0.00 64.21 66.43 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 -0.46 -1.01 0.06 5.00 0.00 -1.26 -2.93 105.19 104.60 1cdc n GLY 53 Ca -0.02 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1cdc n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cdc n ALA 54 N -1.57 2.22 -2.43 4.61 0.00 -1.26 -4.86 120.51 117.21 1cdc n ALA 54 Ca 0.03 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 1cdc n ALA 54 Cb 0.16 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.05 1cdc n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1cdc s PHE 55 N -3.07 2.23 -0.10 0.00 0.08 -1.15 -1.81 117.98 114.16 1cdc s PHE 55 Ca 0.11 -0.37 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 1cdc s PHE 55 Cb 0.15 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 1cdc s PHE 55 CO 0.54 0.47 0.25 -2.00 -0.10 0.00 0.00 175.22 174.37 1cdc s GLU 56 N -2.68 0.27 -0.18 0.44 2.12 0.27 -4.87 118.70 114.07 1cdc s GLU 56 Ca 0.20 0.38 -0.08 0.00 0.36 0.00 0.00 54.97 55.83 1cdc s GLU 56 Cb -0.08 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1cdc s GLU 56 CO 0.09 -0.06 0.10 -1.50 -0.54 0.00 0.00 175.26 173.35 1cdc s ILE 57 N 0.37 5.11 0.81 -3.70 2.07 -1.26 0.49 121.20 125.08 1cdc s ILE 57 Ca -0.02 0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1cdc s ILE 57 Cb -0.04 -3.29 0.14 0.00 0.13 0.00 0.00 42.46 39.40 1cdc s ILE 57 CO -0.02 0.48 1.13 -0.76 -1.91 0.00 0.00 174.94 173.87 1cdc s LEU 58 N 0.10 2.83 0.48 8.50 1.02 0.10 -4.96 118.68 126.76 1cdc s LEU 58 Ca 0.07 0.10 0.28 0.00 0.02 0.00 0.00 54.13 54.60 1cdc s LEU 58 Cb -0.12 -2.41 1.01 0.00 0.02 0.00 0.00 46.19 44.70 1cdc s LEU 58 CO -0.00 -2.14 1.86 0.00 0.02 0.00 0.00 176.35 176.09 1cdc h ALA 59 N -0.99 1.00 -0.04 4.21 0.00 -1.99 -2.46 119.26 118.99 1cdc h ALA 59 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cdc h ALA 59 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1cdc h ALA 59 CO 0.45 0.15 0.00 0.27 0.00 0.00 0.00 179.25 180.11 1cdc n ASN 60 N -3.23 2.42 0.00 0.00 6.94 -1.26 -4.95 115.26 115.18 1cdc n ASN 60 Ca 0.01 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 1cdc n ASN 60 Cb 0.40 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 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 1.28 0.40 3.78 4.83 0.00 -0.92 -5.08 105.19 109.49 1cdc n GLY 61 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.62 5.69 -0.21 1.61 1.11 -1.26 -4.71 116.67 116.28 1cdc s ASP 62 Ca 0.00 2.09 -0.12 0.00 0.18 0.00 0.00 52.55 54.70 1cdc s ASP 62 Cb 0.00 -2.57 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 1cdc s ASP 62 CO 0.00 -1.23 0.21 -0.22 1.18 0.00 0.00 175.17 175.10 1cdc s LEU 63 N -4.01 4.17 -0.15 1.23 2.96 -1.26 0.02 118.68 121.64 1cdc s LEU 63 Ca 0.70 0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 54.84 1cdc s LEU 63 Cb -0.22 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1cdc s LEU 63 CO 0.29 0.09 0.01 -0.75 -1.32 0.00 0.00 176.35 174.67 1cdc s LYS 64 N 0.78 3.69 -0.28 1.98 2.20 0.18 -4.97 119.74 123.32 1cdc s LYS 64 Ca 0.11 -0.42 -0.08 0.00 -0.36 0.00 0.00 55.97 55.21 1cdc s LYS 64 Cb -0.13 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 1cdc s LYS 64 CO 0.03 0.34 0.10 0.42 -0.36 0.00 0.00 175.35 175.88 1cdc s ILE 65 N 0.14 4.39 0.15 5.43 1.01 -1.26 -0.57 121.20 130.50 1cdc s ILE 65 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 1cdc s ILE 65 Cb -0.13 -3.16 -0.07 0.00 0.01 0.00 0.00 42.46 39.12 1cdc s ILE 65 CO 0.02 0.20 1.45 0.11 0.00 0.00 0.00 174.94 176.72 1cdc h LYS 66 N 8.28 0.81 -1.84 2.79 1.57 -1.72 -3.41 116.57 123.05 1cdc h LYS 66 Ca -0.35 -0.48 -0.37 0.00 -1.87 0.00 0.00 60.65 57.58 1cdc h LYS 66 Cb 1.16 0.05 -0.29 0.00 0.08 0.00 0.00 32.23 33.22 1cdc h LYS 66 CO 0.59 1.12 -0.71 1.21 -0.57 0.00 0.00 179.45 181.10 1cdc s ASN 67 N -6.92 0.67 0.11 0.86 3.84 -1.26 -5.12 114.94 107.12 1cdc s ASN 67 Ca -0.10 -1.89 -0.34 0.00 0.21 0.00 0.00 52.86 50.75 1cdc s ASN 67 Cb 0.11 0.64 -0.18 0.00 -0.55 0.00 0.00 41.25 41.26 1cdc s ASN 67 CO 0.87 -0.20 0.85 -0.11 -2.79 0.00 0.00 177.10 175.73 1cdc n LEU 68 N 3.74 -0.28 -4.33 3.21 0.00 -1.26 -5.01 117.00 113.07 1cdc n LEU 68 Ca 0.16 1.14 -0.20 0.00 0.00 0.00 0.00 56.01 57.12 1cdc n LEU 68 Cb 0.48 -0.98 -0.11 0.00 0.00 0.00 0.00 43.42 42.81 1cdc n LEU 68 CO 0.07 -2.26 -0.46 -0.89 0.00 0.00 0.00 177.39 173.84 1cdc s THR 69 N -0.46 1.71 0.38 1.96 2.01 -1.26 -5.05 115.64 114.93 1cdc s THR 69 Ca 0.77 -2.04 0.11 0.00 0.31 0.00 0.00 61.69 60.84 1cdc s THR 69 Cb -1.06 -1.90 0.13 0.00 0.01 0.00 0.00 72.50 69.68 1cdc s THR 69 CO 0.56 -0.47 1.87 -0.09 -0.69 0.00 0.00 174.62 175.80 1cdc h ARG 70 N 2.94 0.12 0.00 4.92 2.43 -2.00 -1.41 114.38 121.37 1cdc h ARG 70 Ca -0.40 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1cdc h ARG 70 Cb 1.21 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1cdc h ARG 70 CO 0.56 0.37 0.00 0.22 -1.51 0.00 0.00 179.97 179.62 1cdc h ASP 71 N 0.11 0.00 0.83 -3.80 3.58 -2.02 -3.12 116.42 112.00 1cdc h ASP 71 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1cdc h ASP 71 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1cdc h ASP 71 CO 0.04 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.87 1cdc n ASP 72 N -2.74 0.03 -4.83 2.28 8.00 -0.53 -4.87 116.55 113.89 1cdc n ASP 72 Ca 0.02 0.50 -0.32 0.00 0.71 0.00 0.00 54.79 55.71 1cdc n ASP 72 Cb 0.35 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 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 -3.06 5.98 0.00 -2.24 1.04 -1.18 -4.94 113.70 109.30 1cdc s SER 73 Ca 0.11 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1cdc s SER 73 Cb 0.15 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1cdc s SER 73 CO 0.43 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1cdc n GLY 74 N -1.81 0.80 3.70 7.32 0.00 -0.09 -4.98 105.19 110.13 1cdc n GLY 74 Ca 0.07 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.58 5.10 -0.12 2.61 2.01 -1.26 -0.31 115.64 122.09 1cdc s THR 75 Ca 0.00 1.12 -0.01 0.00 0.31 0.00 0.00 61.69 63.11 1cdc s THR 75 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1cdc s THR 75 CO 0.00 0.23 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.79 1cdc s TYR 76 N 1.14 2.96 -0.13 4.92 1.51 0.07 -4.93 117.35 122.88 1cdc s TYR 76 Ca 0.29 -0.22 -0.03 0.00 -1.01 0.00 0.00 57.07 56.10 1cdc s TYR 76 Cb -0.16 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1cdc s TYR 76 CO 0.12 0.09 -0.03 -0.80 -1.11 0.00 0.00 175.55 173.82 1cdc s ASN 77 N -0.11 4.88 -0.08 2.29 0.01 -1.26 -0.33 114.94 120.33 1cdc s ASN 77 Ca 0.01 -0.06 0.03 0.00 -0.71 0.00 0.00 52.86 52.13 1cdc s ASN 77 Cb -0.13 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 1cdc s ASN 77 CO 0.03 0.23 -0.16 0.54 -1.51 0.00 0.00 177.10 176.23 1cdc s VAL 78 N -0.01 2.86 -0.04 1.60 0.11 -0.32 -4.99 120.40 119.60 1cdc s VAL 78 Ca 0.01 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 1cdc s VAL 78 Cb -0.13 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.58 1cdc s VAL 78 CO 0.02 0.56 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.34 1cdc s THR 79 N -0.17 1.07 -0.09 5.04 2.01 -1.26 -1.73 115.64 120.51 1cdc s THR 79 Ca -0.01 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1cdc s THR 79 Cb -0.14 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1cdc s THR 79 CO 0.03 0.32 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.39 1cdc s VAL 80 N 0.24 1.80 -0.06 3.82 1.01 -0.39 -5.02 120.40 121.80 1cdc s VAL 80 Ca -0.06 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1cdc s VAL 80 Cb -0.11 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1cdc s VAL 80 CO 0.02 0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 175.10 1cdc s TYR 81 N 0.47 2.52 0.97 5.22 1.51 -1.26 -1.32 117.35 125.45 1cdc s TYR 81 Ca -0.17 -0.52 -0.16 0.00 -1.01 0.00 0.00 57.07 55.22 1cdc s TYR 81 Cb -0.17 -1.61 0.19 0.00 -0.11 0.00 0.00 41.96 40.26 1cdc s TYR 81 CO 0.07 -0.08 1.27 -1.54 -1.11 0.00 0.00 175.55 174.15 1cdc s SER 82 N -0.34 3.06 0.39 2.29 1.04 -0.33 -4.92 113.70 114.89 1cdc s SER 82 Ca 0.02 0.43 0.28 0.00 0.48 0.00 0.00 55.95 57.16 1cdc s SER 82 Cb -0.12 -0.59 1.32 0.00 0.10 0.00 0.00 66.02 66.73 1cdc s SER 82 CO 0.02 -2.78 1.85 0.71 0.98 0.00 0.00 173.24 174.02 1cdc h THR 83 N -1.67 0.00 -0.69 2.02 1.35 -2.01 -1.56 112.91 110.35 1cdc h THR 83 Ca -0.45 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1cdc h THR 83 Cb 1.26 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1cdc h THR 83 CO 0.43 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.24 1cdc n ASN 84 N -2.53 4.20 0.00 5.36 2.04 -1.26 -4.94 115.26 118.12 1cdc n ASN 84 Ca 0.00 -2.18 0.00 0.00 -0.44 0.00 0.00 54.58 51.96 1cdc n ASN 84 Cb 0.17 -0.52 0.00 0.00 -2.53 0.00 0.00 39.78 36.89 1cdc n ASN 84 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cdc n GLY 85 N 1.44 0.75 3.74 4.83 0.00 -0.58 -4.85 105.19 110.51 1cdc n GLY 85 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.64 4.24 -0.69 2.61 2.01 -1.26 -0.60 115.64 119.31 1cdc s THR 86 Ca 0.00 1.99 -0.27 0.00 0.31 0.00 0.00 61.69 63.72 1cdc s THR 86 Cb 0.00 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.27 1cdc s THR 86 CO 0.00 0.37 1.31 -0.60 -0.69 0.00 0.00 174.62 175.01 1cdc s ARG 87 N -0.47 3.22 0.18 4.92 3.52 0.12 -1.19 118.95 129.26 1cdc s ARG 87 Ca 0.45 -0.06 0.22 0.00 -0.13 0.00 0.00 55.73 56.21 1cdc s ARG 87 Cb -0.25 -4.16 -0.02 0.00 -1.56 0.00 0.00 34.95 28.96 1cdc s ARG 87 CO 0.32 -2.08 1.01 0.44 -0.81 0.00 0.00 175.30 174.17 1cdc n ILE 88 N 6.51 0.69 -3.73 4.11 -5.35 -0.44 -4.91 119.36 116.25 1cdc n ILE 88 Ca 0.06 -0.57 -0.12 0.00 -0.27 0.00 0.00 62.75 61.85 1cdc n ILE 88 Cb 0.49 -0.39 -0.12 0.00 -1.74 0.00 0.00 39.64 37.88 1cdc n ILE 88 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1cdc s LEU 89 N -5.41 0.35 -0.03 7.28 0.20 -1.21 -5.03 118.68 114.83 1cdc s LEU 89 Ca -0.01 0.67 -0.01 0.00 0.69 0.00 0.00 54.13 55.47 1cdc s LEU 89 Cb 0.09 1.01 0.03 0.00 -0.43 0.00 0.00 46.19 46.90 1cdc s LEU 89 CO 0.79 -0.16 0.05 -0.62 -0.29 0.00 0.00 176.35 176.13 1cdc s ASP 90 N 1.04 0.07 -0.17 3.68 2.15 -1.26 -1.27 116.67 120.91 1cdc s ASP 90 Ca -0.07 0.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.89 1cdc s ASP 90 Cb -0.08 -0.02 0.05 0.00 -0.30 0.00 0.00 42.92 42.58 1cdc s ASP 90 CO -0.08 -0.14 0.42 -0.75 -0.17 0.00 0.00 175.17 174.46 1cdc s LYS 91 N 1.14 0.43 -0.16 4.34 2.47 -0.71 -5.01 119.74 122.24 1cdc s LYS 91 Ca -0.09 0.75 -0.12 0.00 -1.56 0.00 0.00 55.97 54.95 1cdc s LYS 91 Cb -0.13 0.05 -0.05 0.00 -1.46 0.00 0.00 37.83 36.24 1cdc s LYS 91 CO -0.04 -0.13 0.23 0.00 0.16 0.00 0.00 175.35 175.58 1cdc s ALA 92 N 1.10 3.66 -0.10 3.13 0.00 -1.26 -1.18 121.76 127.11 1cdc s ALA 92 Ca -0.07 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1cdc s ALA 92 Cb -0.07 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 1cdc s ALA 92 CO -0.09 0.20 -0.21 -0.51 0.00 0.00 0.00 175.76 175.15 1cdc s LEU 93 N 0.16 2.29 -0.41 0.00 1.43 0.55 -4.97 118.68 117.72 1cdc s LEU 93 Ca 0.14 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1cdc s LEU 93 Cb -0.12 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1cdc s LEU 93 CO 0.03 0.18 0.40 -0.62 0.23 0.00 0.00 176.35 176.57 1cdc s ASP 94 N 0.23 6.17 -0.36 2.29 2.15 -1.26 -0.75 116.67 125.14 1cdc s ASP 94 Ca -0.13 -0.70 -0.21 0.00 0.43 0.00 0.00 52.55 51.94 1cdc s ASP 94 Cb -0.17 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1cdc s ASP 94 CO 0.07 -0.53 0.67 -0.22 -0.17 0.00 0.00 175.17 174.99 1cdc s LEU 95 N 2.02 4.22 0.18 -1.34 2.96 0.58 -4.96 118.68 122.34 1cdc s LEU 95 Ca 0.10 0.21 0.11 0.00 -0.22 0.00 0.00 54.13 54.33 1cdc s LEU 95 Cb -0.17 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 1cdc s LEU 95 CO 0.13 -0.63 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.18 1cdc s ARG 96 N 2.80 1.58 0.09 1.98 0.52 -1.26 -0.91 118.95 123.75 1cdc s ARG 96 Ca 0.26 -1.44 -0.19 0.00 -0.52 0.00 0.00 55.73 53.84 1cdc s ARG 96 Cb -0.14 -1.91 -0.07 0.00 0.52 0.00 0.00 34.95 33.35 1cdc s ARG 96 CO 0.15 0.42 0.58 0.42 0.02 0.00 0.00 175.30 176.89 1cdc s ILE 97 N -1.54 4.73 -1.08 1.52 -1.09 -1.26 -4.99 121.20 117.49 1cdc s ILE 97 Ca 0.20 1.21 -0.09 0.00 -2.23 0.00 0.00 60.65 59.74 1cdc s ILE 97 Cb -0.09 -3.89 -0.15 0.00 -1.58 0.00 0.00 42.46 36.76 1cdc s ILE 97 CO 0.10 0.52 3.15 0.18 -1.23 0.00 0.00 174.94 177.65 1cdc n LEU 98 N 1.61 7.51 0.00 2.97 4.77 -1.26 -5.22 117.00 127.38 1cdc n LEU 98 Ca -0.10 -3.93 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 1cdc n LEU 98 Cb 0.51 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1cdc n LEU 98 CO 0.42 1.91 0.03 -1.84 -1.33 0.00 0.00 177.39 176.58