#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cgz s VAL 2 N 0.00 1.59 0.13 5.15 0.11 -1.26 -2.74 120.40 123.38 2cgz s VAL 2 Ca 0.00 -0.70 0.09 0.00 -2.93 0.00 0.00 61.98 58.45 2cgz s VAL 2 Cb 0.00 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.36 2cgz s VAL 2 CO 0.00 0.46 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.90 2cgz s GLN 3 N 0.99 1.26 0.28 1.54 -0.21 -0.70 -4.98 119.66 117.84 2cgz s GLN 3 Ca -0.06 -1.29 0.02 0.00 0.02 0.00 0.00 55.36 54.06 2cgz s GLN 3 Cb -0.15 -1.57 -0.04 0.00 1.00 0.00 0.00 33.01 32.25 2cgz s GLN 3 CO -0.02 0.36 0.13 -1.54 -2.12 0.00 0.00 175.29 172.10 2cgz s SER 4 N -2.14 1.37 0.00 5.90 1.04 -1.26 -0.87 113.70 117.73 2cgz s SER 4 Ca 0.11 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.06 2cgz s SER 4 Cb -0.09 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2cgz s SER 4 CO 0.06 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2cgz n GLY 5 N -0.53 -1.18 3.23 7.32 0.00 -0.99 -5.00 105.19 108.04 2cgz n GLY 5 Ca 0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2cgz n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cgz s LYS 6 N -0.96 0.40 -0.32 1.61 2.20 -1.26 -2.16 119.74 119.25 2cgz s LYS 6 Ca 0.00 0.52 0.04 0.00 -0.36 0.00 0.00 55.97 56.17 2cgz s LYS 6 Cb 0.00 0.16 0.09 0.00 -1.51 0.00 0.00 37.83 36.57 2cgz s LYS 6 CO 0.00 -0.07 0.01 0.42 -0.36 0.00 0.00 175.35 175.36 2cgz s ILE 7 N 0.37 2.20 -0.58 5.43 1.01 -0.34 -4.97 121.20 124.31 2cgz s ILE 7 Ca -0.01 -2.13 -0.23 0.00 0.00 0.00 0.00 60.65 58.27 2cgz s ILE 7 Cb -0.03 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.94 2cgz s ILE 7 CO -0.01 -0.46 0.92 0.20 0.00 0.00 0.00 174.94 175.59 2cgz s ASN 8 N 0.98 6.27 0.15 3.58 0.01 -1.26 -1.45 114.94 123.22 2cgz s ASN 8 Ca 0.06 -0.61 0.03 0.00 -0.71 0.00 0.00 52.86 51.63 2cgz s ASN 8 Cb -0.19 -2.42 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 2cgz s ASN 8 CO -0.08 -1.27 1.34 0.00 -1.51 0.00 0.00 177.10 175.58 2cgz n GLY 10 N 1.02 0.07 3.76 0.00 0.00 -1.24 -4.84 105.19 103.96 2cgz n GLY 10 Ca -0.03 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 2cgz n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cgz s ASP 11 N -4.00 5.56 0.00 1.61 -1.08 -1.08 -3.72 116.67 113.96 2cgz s ASP 11 Ca 0.00 2.36 0.27 0.00 -0.52 0.00 0.00 52.55 54.66 2cgz s ASP 11 Cb 0.00 -2.60 1.03 0.00 -1.46 0.00 0.00 42.92 39.89 2cgz s ASP 11 CO 0.00 -1.34 1.73 -0.90 0.52 0.00 0.00 175.17 175.18 2cgz n ASP 12 N -1.19 1.44 0.05 -0.34 5.68 -0.83 -3.08 116.55 118.29 2cgz n ASP 12 Ca 0.11 -1.52 0.01 0.00 -0.50 0.00 0.00 54.79 52.90 2cgz n ASP 12 Cb 0.49 -0.02 0.35 0.00 -1.14 0.00 0.00 41.12 40.79 2cgz n ASP 12 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cgz h ALA 13 N 4.27 1.45 -0.00 2.12 0.00 -1.92 -2.74 119.26 122.43 2cgz h ALA 13 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2cgz h ALA 13 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2cgz h ALA 13 CO 0.00 0.39 -0.14 0.41 0.00 0.00 0.00 179.25 179.91 2cgz n GLY 14 N -0.91 -1.01 3.83 0.00 0.00 -1.18 -4.89 105.19 101.03 2cgz n GLY 14 Ca 0.01 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2cgz n GLY 14 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cgz s TRP 15 N -2.57 3.29 0.04 1.61 0.52 -1.04 -4.98 118.94 115.80 2cgz s TRP 15 Ca 0.26 1.44 -0.13 0.00 0.02 0.00 0.00 56.10 57.68 2cgz s TRP 15 Cb 0.20 -2.86 -0.06 0.00 -1.15 0.00 0.00 33.47 29.60 2cgz s TRP 15 CO 0.50 -0.80 0.42 0.00 0.02 0.00 0.00 176.95 177.10 2cgz s ALA 16 N -2.74 3.69 0.01 0.98 0.00 -0.98 -4.85 121.76 117.86 2cgz s ALA 16 Ca 0.59 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 2cgz s ALA 16 Cb -0.13 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 2cgz s ALA 16 CO 0.41 0.50 1.33 0.15 0.00 0.00 0.00 175.76 178.15 2cgz s LYS 17 N -1.41 4.32 0.18 0.00 1.02 -1.26 -1.26 119.74 121.32 2cgz s LYS 17 Ca 0.28 1.89 0.11 0.00 0.02 0.00 0.00 55.97 58.27 2cgz s LYS 17 Cb -0.16 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 2cgz s LYS 17 CO 0.15 -0.50 -0.24 0.14 -0.92 0.00 0.00 175.35 173.99 2cgz s VAL 18 N 2.08 2.27 0.19 3.17 -7.23 -0.82 -4.96 120.40 115.10 2cgz s VAL 18 Ca 0.62 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 2cgz s VAL 18 Cb -0.30 -2.06 -0.08 0.00 0.56 0.00 0.00 36.38 34.50 2cgz s VAL 18 CO 0.26 -0.10 1.17 -2.16 -0.31 0.00 0.00 175.10 173.96 2cgz s PRO 19 N -2.55 4.53 0.43 4.82 0.04 -1.26 -4.35 135.00 136.65 2cgz s PRO 19 Ca 0.19 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2cgz s PRO 19 Cb -0.08 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2cgz s PRO 19 CO 0.09 -0.03 1.43 0.45 0.04 0.00 0.00 177.00 178.98 2cgz s SER 20 N -0.02 6.03 0.00 6.66 0.15 -1.26 -4.93 113.70 120.33 2cgz s SER 20 Ca 0.51 2.92 0.04 0.00 0.70 0.00 0.00 55.95 60.12 2cgz s SER 20 Cb -0.32 -2.66 0.10 0.00 -1.71 0.00 0.00 66.02 61.43 2cgz s SER 20 CO 0.37 -1.07 0.99 -0.90 1.20 0.00 0.00 173.24 173.83 2cgz n ASP 21 N -0.01 2.12 -4.04 5.45 5.75 -1.26 -4.93 116.55 119.63 2cgz n ASP 21 Ca 0.04 -1.81 -0.31 0.00 -0.01 0.00 0.00 54.79 52.70 2cgz n ASP 21 Cb 0.41 -0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.27 2cgz n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2cgz s ASP 22 N -0.85 2.91 0.48 -1.12 -1.08 -1.26 -5.04 116.67 110.71 2cgz s ASP 22 Ca 0.08 -0.59 0.18 0.00 -0.52 0.00 0.00 52.55 51.70 2cgz s ASP 22 Cb 0.04 -1.27 1.20 0.00 -1.46 0.00 0.00 42.92 41.43 2cgz s ASP 22 CO 0.06 -0.05 2.01 -0.65 0.52 0.00 0.00 175.17 177.06 2cgz h PRO 23 N 8.01 0.20 0.00 4.34 0.11 -2.04 -1.95 132.00 140.67 2cgz h PRO 23 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2cgz h PRO 23 Cb 1.13 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2cgz h PRO 23 CO 0.55 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 2cgz n GLY 24 N -1.57 -1.13 3.43 -0.55 0.00 -1.26 -4.81 105.19 99.31 2cgz n GLY 24 Ca 0.08 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2cgz n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cgz s ARG 25 N -2.35 2.89 0.37 1.61 0.52 -0.73 -5.11 118.95 116.14 2cgz s ARG 25 Ca 0.34 -0.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.90 2cgz s ARG 25 Cb 0.20 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 2cgz s ARG 25 CO 0.41 0.44 0.06 0.16 0.02 0.00 0.00 175.30 176.39 2cgz s ASP 26 N -0.26 2.83 -1.51 0.23 -4.77 -1.26 -4.78 116.67 107.15 2cgz s ASP 26 Ca 0.02 -1.46 -0.13 0.00 -3.30 0.00 0.00 52.55 47.67 2cgz s ASP 26 Cb -0.13 0.05 0.10 0.00 -1.09 0.00 0.00 42.92 41.85 2cgz s ASP 26 CO 0.03 -0.68 0.80 -3.20 0.70 0.00 0.00 175.17 172.82 2cgz n ASN 27 N -0.91 -4.30 -4.68 2.11 5.15 -1.26 -1.04 115.26 110.33 2cgz n ASN 27 Ca -0.05 -0.70 -0.42 0.00 -0.60 0.00 0.00 54.58 52.80 2cgz n ASN 27 Cb 0.66 -3.48 -0.03 0.00 -0.53 0.00 0.00 39.78 36.41 2cgz n ASN 27 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2cgz s THR 28 N -3.19 3.89 0.44 -0.44 -4.23 -1.26 -3.35 115.64 107.49 2cgz s THR 28 Ca 0.60 1.21 0.06 0.00 -1.18 0.00 0.00 61.69 62.38 2cgz s THR 28 Cb -0.31 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 69.70 2cgz s THR 28 CO 0.74 -0.04 0.10 -0.13 -0.54 0.00 0.00 174.62 174.75 2cgz s ARG 29 N 2.81 2.12 -0.29 3.99 0.52 -0.02 -1.95 118.95 126.13 2cgz s ARG 29 Ca 0.62 -2.05 -0.16 0.00 -0.52 0.00 0.00 55.73 53.61 2cgz s ARG 29 Cb -0.29 -1.78 0.17 0.00 0.52 0.00 0.00 34.95 33.57 2cgz s ARG 29 CO 0.24 -0.16 1.09 -2.00 0.02 0.00 0.00 175.30 174.48 2cgz s GLU 30 N -3.85 0.26 -0.82 3.54 2.12 -0.39 -2.48 118.70 117.08 2cgz s GLU 30 Ca 0.32 0.44 -0.17 0.00 0.36 0.00 0.00 54.97 55.93 2cgz s GLU 30 Cb 0.06 0.06 0.17 0.00 0.26 0.00 0.00 34.13 34.67 2cgz s GLU 30 CO 0.17 -0.05 0.89 -1.17 -0.54 0.00 0.00 175.26 174.56 2cgz s LEU 31 N 1.18 5.91 0.40 2.70 1.98 -0.40 -2.33 118.68 128.11 2cgz s LEU 31 Ca -0.08 -2.24 -0.21 0.00 -2.89 0.00 0.00 54.13 48.71 2cgz s LEU 31 Cb -0.03 -2.29 -0.11 0.00 0.66 0.00 0.00 46.19 44.42 2cgz s LEU 31 CO -0.13 -0.84 0.92 0.00 -1.89 0.00 0.00 176.35 174.41 2cgz s ALA 32 N 1.51 3.11 -0.04 5.97 0.00 -1.26 -2.59 121.76 128.46 2cgz s ALA 32 Ca 0.22 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 2cgz s ALA 32 Cb -0.11 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 19.92 2cgz s ALA 32 CO -0.07 0.17 0.12 0.15 0.00 0.00 0.00 175.76 176.13 2cgz s LYS 33 N -2.94 0.19 -0.45 0.00 -0.14 -0.48 -4.99 119.74 110.92 2cgz s LYS 33 Ca 0.59 0.07 -0.08 0.00 -1.36 0.00 0.00 55.97 55.18 2cgz s LYS 33 Cb -0.11 0.09 0.11 0.00 -1.68 0.00 0.00 37.83 36.24 2cgz s LYS 33 CO 0.15 -0.03 0.31 1.21 -0.76 0.00 0.00 175.35 176.23 2cgz s ASN 34 N -0.17 5.62 0.10 2.83 3.84 -1.26 -2.52 114.94 123.38 2cgz s ASN 34 Ca -0.02 -1.85 -0.23 0.00 0.21 0.00 0.00 52.86 50.97 2cgz s ASN 34 Cb -0.02 -1.98 -0.07 0.00 -0.55 0.00 0.00 41.25 38.63 2cgz s ASN 34 CO 0.00 -0.64 0.68 -0.63 -2.79 0.00 0.00 177.10 173.72 2cgz s ILE 35 N 1.34 4.59 -0.14 -5.21 -1.09 -0.62 -4.96 121.20 115.11 2cgz s ILE 35 Ca 0.05 1.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.97 2cgz s ILE 35 Cb -0.25 -4.03 0.01 0.00 -1.58 0.00 0.00 42.46 36.61 2cgz s ILE 35 CO -0.01 0.51 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.10 2cgz s THR 36 N -0.92 2.04 0.33 2.92 2.01 -1.26 -1.56 115.64 119.19 2cgz s THR 36 Ca 0.33 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2cgz s THR 36 Cb -0.21 -1.80 -0.11 0.00 0.01 0.00 0.00 72.50 70.39 2cgz s THR 36 CO 0.22 0.55 1.47 -0.36 -0.69 0.00 0.00 174.62 175.80 2cgz s PHE 37 N 0.84 2.78 0.08 4.92 2.99 -0.88 -4.94 117.98 123.77 2cgz s PHE 37 Ca -0.06 1.12 -0.32 0.00 0.00 0.00 0.00 56.93 57.66 2cgz s PHE 37 Cb -0.15 -3.93 -0.16 0.00 0.00 0.00 0.00 43.02 38.77 2cgz s PHE 37 CO -0.02 -2.84 1.62 0.00 -0.00 0.00 0.00 175.22 173.98 2cgz h ALA 38 N 3.77 -0.82 -2.55 5.36 0.00 -1.98 -3.36 119.26 119.68 2cgz h ALA 38 Ca -0.49 -0.16 -0.73 0.00 0.00 0.00 0.00 54.91 53.53 2cgz h ALA 38 Cb 1.23 0.40 -0.27 0.00 0.00 0.00 0.00 17.79 19.15 2cgz h ALA 38 CO 0.70 -0.97 -0.38 -1.12 0.00 0.00 0.00 179.25 177.47 2cgz s SER 39 N -4.50 5.84 0.28 0.00 0.01 -1.26 -5.07 113.70 109.00 2cgz s SER 39 Ca -0.17 -1.63 -0.30 0.00 1.31 0.00 0.00 55.95 55.17 2cgz s SER 39 Cb 0.04 -2.07 -0.13 0.00 0.21 0.00 0.00 66.02 64.08 2cgz s SER 39 CO 0.63 -0.65 1.31 -2.65 0.41 0.00 0.00 173.24 172.29 2cgz n PRO 40 N 5.02 1.97 -1.90 12.44 -0.02 -1.26 -5.01 135.00 146.24 2cgz n PRO 40 Ca -0.10 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 2cgz n PRO 40 Cb 0.42 -2.29 0.15 0.00 -0.02 0.00 0.00 33.50 31.76 2cgz n PRO 40 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2cgz s TYR 41 N -0.56 2.10 -0.10 6.00 1.51 -0.20 -5.03 117.35 121.07 2cgz s TYR 41 Ca 0.62 0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 57.15 2cgz s TYR 41 Cb -0.63 -3.87 -0.05 0.00 -0.11 0.00 0.00 41.96 37.29 2cgz s TYR 41 CO 0.56 -2.34 -0.11 0.00 -1.11 0.00 0.00 175.55 172.54 2cgz s ARG 43 N -2.19 3.71 0.11 0.00 1.04 -1.26 -4.72 118.95 115.65 2cgz s ARG 43 Ca -0.14 0.15 -0.35 0.00 -1.04 0.00 0.00 55.73 54.35 2cgz s ARG 43 Cb 0.04 -3.22 -0.14 0.00 -2.04 0.00 0.00 34.95 29.59 2cgz s ARG 43 CO 0.20 0.71 1.54 -2.30 -0.04 0.00 0.00 175.30 175.41 2cgz n PRO 44 N 1.97 1.87 -1.98 3.89 -0.02 -1.26 -4.70 135.00 134.78 2cgz n PRO 44 Ca -0.17 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.67 2cgz n PRO 44 Cb 0.54 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2cgz n PRO 44 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2cgz s PRO 45 N 1.08 3.36 0.02 0.52 0.04 -1.26 -4.94 135.00 133.83 2cgz s PRO 45 Ca 0.82 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 2cgz s PRO 45 Cb -0.76 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 2cgz s PRO 45 CO 0.42 -0.76 1.27 0.08 0.04 0.00 0.00 177.00 178.04 2cgz s VAL 46 N -2.69 3.93 -0.08 -0.36 1.01 -0.14 -4.83 120.40 117.24 2cgz s VAL 46 Ca 0.61 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.96 2cgz s VAL 46 Cb -0.14 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2cgz s VAL 46 CO 0.42 0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 174.68 2cgz s VAL 47 N 1.70 2.50 -0.11 2.92 1.01 -1.26 -2.16 120.40 125.01 2cgz s VAL 47 Ca 0.60 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2cgz s VAL 47 Cb -0.30 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2cgz s VAL 47 CO 0.27 0.56 -0.14 -0.22 0.00 0.00 0.00 175.10 175.57 2cgz s LEU 48 N -0.04 2.68 0.10 3.92 2.96 -0.88 -4.99 118.68 122.42 2cgz s LEU 48 Ca -0.05 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2cgz s LEU 48 Cb -0.14 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2cgz s LEU 48 CO 0.05 0.21 0.17 -0.76 -1.32 0.00 0.00 176.35 174.70 2cgz s LEU 49 N 0.05 4.10 -0.16 -0.68 1.43 -1.26 -2.17 118.68 119.99 2cgz s LEU 49 Ca -0.05 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 2cgz s LEU 49 Cb -0.15 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.42 2cgz s LEU 49 CO 0.04 0.13 0.37 -0.55 0.23 0.00 0.00 176.35 176.58 2cgz s SER 50 N -2.72 -0.36 -0.40 2.29 0.15 -0.22 -5.00 113.70 107.43 2cgz s SER 50 Ca 0.33 0.82 -0.26 0.00 0.70 0.00 0.00 55.95 57.54 2cgz s SER 50 Cb -0.12 0.80 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 2cgz s SER 50 CO 0.26 -0.20 0.92 -0.63 1.20 0.00 0.00 173.24 174.79 2cgz s ILE 51 N 1.67 4.55 -1.07 6.45 1.01 -1.26 -0.55 121.20 132.00 2cgz s ILE 51 Ca -0.07 1.02 0.10 0.00 0.00 0.00 0.00 60.65 61.70 2cgz s ILE 51 Cb -0.10 -4.36 0.16 0.00 0.01 0.00 0.00 42.46 38.17 2cgz s ILE 51 CO -0.12 -0.64 0.98 0.35 0.00 0.00 0.00 174.94 175.52 2cgz n THR 52 N 6.13 0.41 -3.74 2.92 -2.24 -0.73 -4.94 114.28 112.08 2cgz n THR 52 Ca 0.07 -0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 2cgz n THR 52 Cb 0.48 0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 2cgz n THR 52 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2cgz s GLN 53 N -0.90 0.53 -0.20 -0.78 0.74 -1.12 -4.92 119.66 113.01 2cgz s GLN 53 Ca 0.15 0.34 -0.12 0.00 0.05 0.00 0.00 55.36 55.78 2cgz s GLN 53 Cb 0.09 0.25 0.06 0.00 1.10 0.00 0.00 33.01 34.52 2cgz s GLN 53 CO 0.13 -0.10 0.50 -0.51 -0.55 0.00 0.00 175.29 174.76 2cgz s LEU 54 N -0.24 -0.33 -0.26 3.68 1.43 -1.26 -2.60 118.68 119.10 2cgz s LEU 54 Ca -0.04 1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 54.11 2cgz s LEU 54 Cb -0.03 1.68 0.09 0.00 0.03 0.00 0.00 46.19 47.96 2cgz s LEU 54 CO 0.02 -0.21 0.11 -0.62 0.23 0.00 0.00 176.35 175.89 2cgz s ASP 55 N 1.38 3.33 -0.02 2.29 -1.08 0.11 -4.95 116.67 117.73 2cgz s ASP 55 Ca -0.09 -1.17 0.03 0.00 -0.52 0.00 0.00 52.55 50.80 2cgz s ASP 55 Cb -0.07 -0.41 -0.00 0.00 -1.46 0.00 0.00 42.92 40.98 2cgz s ASP 55 CO -0.14 -0.41 -0.11 -0.69 0.52 0.00 0.00 175.17 174.35 2cgz s VAL 56 N 2.03 0.86 0.19 1.11 1.01 -1.26 -0.33 120.40 124.01 2cgz s VAL 56 Ca 0.07 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.30 2cgz s VAL 56 Cb -0.16 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.37 2cgz s VAL 56 CO -0.28 0.25 1.59 -0.70 0.00 0.00 0.00 175.10 175.96 2cgz s GLU 57 N -0.07 4.20 0.39 2.72 2.56 -0.81 -4.93 118.70 122.76 2cgz s GLU 57 Ca 0.01 2.41 0.22 0.00 0.00 0.00 0.00 54.97 57.61 2cgz s GLU 57 Cb -0.06 -3.13 0.27 0.00 2.00 0.00 0.00 34.13 33.20 2cgz s GLU 57 CO 0.00 -0.62 1.53 -0.56 -0.56 0.00 0.00 175.26 175.05 2cgz h GLN 58 N 6.58 0.00 0.00 4.30 -0.00 -1.97 -3.24 115.11 120.77 2cgz h GLN 58 Ca -0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.21 2cgz h GLN 58 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.68 2cgz h GLN 58 CO 0.91 0.08 -0.06 0.66 -0.00 0.00 0.00 178.83 180.41 2cgz h SER 59 N 0.00 0.00 -2.19 0.06 4.64 -2.00 -3.45 113.55 110.61 2cgz h SER 59 Ca -0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2cgz h SER 59 Cb 1.06 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.02 2cgz h SER 59 CO 0.01 0.06 -0.67 -1.58 -0.87 0.00 0.00 176.83 173.79 2cgz s GLN 60 N -3.46 1.77 0.49 4.77 2.00 -1.23 -5.12 119.66 118.88 2cgz s GLN 60 Ca 0.03 -1.92 -0.22 0.00 -2.00 0.00 0.00 55.36 51.25 2cgz s GLN 60 Cb 0.08 -1.53 -0.07 0.00 0.80 0.00 0.00 33.01 32.29 2cgz s GLN 60 CO 0.61 0.08 1.22 -0.80 -0.50 0.00 0.00 175.29 175.90 2cgz s ASN 61 N -3.58 5.90 -0.61 6.67 -0.87 -1.26 -4.82 114.94 116.36 2cgz s ASN 61 Ca 0.32 2.43 -0.27 0.00 -1.57 0.00 0.00 52.86 53.77 2cgz s ASN 61 Cb 0.04 -2.61 0.01 0.00 -0.02 0.00 0.00 41.25 38.67 2cgz s ASN 61 CO 0.16 -1.11 1.50 -0.22 -2.57 0.00 0.00 177.10 174.85 2cgz s LEU 62 N -3.19 3.32 -0.30 0.60 2.96 -1.26 -4.54 118.68 116.27 2cgz s LEU 62 Ca 0.66 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 2cgz s LEU 62 Cb -0.32 -2.82 0.08 0.00 0.50 0.00 0.00 46.19 43.63 2cgz s LEU 62 CO 0.38 -1.90 -0.03 -0.13 -1.32 0.00 0.00 176.35 173.36 2cgz s ARG 63 N 5.92 1.82 -0.02 1.98 0.52 -1.26 -5.10 118.95 122.82 2cgz s ARG 63 Ca 0.52 -1.59 -0.04 0.00 -0.52 0.00 0.00 55.73 54.10 2cgz s ARG 63 Cb -0.11 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.34 2cgz s ARG 63 CO 0.22 -0.76 0.09 0.14 0.02 0.00 0.00 175.30 175.01 2cgz s VAL 64 N 1.02 0.04 0.05 3.52 -7.23 -1.26 -4.23 120.40 112.31 2cgz s VAL 64 Ca 0.01 -0.37 0.04 0.00 -1.81 0.00 0.00 61.98 59.86 2cgz s VAL 64 Cb -0.19 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.47 2cgz s VAL 64 CO -0.07 -0.20 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.76 2cgz s ILE 65 N -0.64 0.98 -0.71 -0.62 1.01 0.25 -4.99 121.20 116.48 2cgz s ILE 65 Ca -0.07 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.41 2cgz s ILE 65 Cb -0.04 -0.93 0.18 0.00 0.01 0.00 0.00 42.46 41.68 2cgz s ILE 65 CO 0.00 -0.15 0.57 0.00 0.00 0.00 0.00 174.94 175.36 2cgz s ALA 66 N -1.07 3.78 -0.12 9.38 0.00 -1.26 -1.92 121.76 130.55 2cgz s ALA 66 Ca -0.02 -3.32 -0.23 0.00 0.00 0.00 0.00 51.96 48.39 2cgz s ALA 66 Cb -0.09 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 2cgz s ALA 66 CO 0.01 -2.17 0.71 0.50 0.00 0.00 0.00 175.76 174.81 2cgz s ARG 67 N -0.06 4.35 -0.45 0.00 3.52 -0.76 -4.93 118.95 120.62 2cgz s ARG 67 Ca 0.18 0.84 -0.08 0.00 -0.13 0.00 0.00 55.73 56.54 2cgz s ARG 67 Cb -0.16 -3.50 0.11 0.00 -1.56 0.00 0.00 34.95 29.83 2cgz s ARG 67 CO -0.05 -0.09 0.31 -1.17 -0.81 0.00 0.00 175.30 173.49 2cgz s LEU 68 N 1.35 5.54 -0.03 -0.88 2.96 -1.26 -1.44 118.68 124.92 2cgz s LEU 68 Ca 0.35 -1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 52.26 2cgz s LEU 68 Cb -0.17 -1.99 -0.09 0.00 0.50 0.00 0.00 46.19 44.45 2cgz s LEU 68 CO 0.15 -0.65 0.67 1.88 -1.32 0.00 0.00 176.35 177.08 2cgz h TYR 69 N 8.40 -0.52 -3.59 5.38 -1.99 -1.56 -3.49 116.97 119.60 2cgz h TYR 69 Ca -0.21 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.45 2cgz h TYR 69 Cb 1.07 0.17 -0.12 0.00 2.00 0.00 0.00 36.73 39.85 2cgz h TYR 69 CO 0.62 -0.33 -0.17 -1.54 -0.00 0.00 0.00 178.16 176.75 2cgz s SER 70 N -4.79 -0.10 -0.14 3.88 1.04 -1.16 -5.01 113.70 107.43 2cgz s SER 70 Ca -0.08 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 2cgz s SER 70 Cb 0.01 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2cgz s SER 70 CO 0.25 -0.90 0.13 -0.69 0.98 0.00 0.00 173.24 173.00 2cgz s VAL 71 N -3.89 -0.18 0.57 5.02 1.01 -1.26 -2.47 120.40 119.20 2cgz s VAL 71 Ca 0.10 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2cgz s VAL 71 Cb 0.02 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 36.01 2cgz s VAL 71 CO -0.05 -0.09 0.78 -0.94 0.00 0.00 0.00 175.10 174.80 2cgz s SER 72 N 2.22 5.08 0.59 3.32 1.04 -0.64 -4.81 113.70 120.51 2cgz s SER 72 Ca 0.04 -0.58 0.38 0.00 0.48 0.00 0.00 55.95 56.26 2cgz s SER 72 Cb -0.14 -0.08 1.79 0.00 0.10 0.00 0.00 66.02 67.68 2cgz s SER 72 CO -0.08 -1.31 2.14 -0.65 0.98 0.00 0.00 173.24 174.33 2cgz h PRO 73 N 0.12 0.00 0.00 4.02 0.11 -1.84 -3.23 132.00 131.18 2cgz h PRO 73 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2cgz h PRO 73 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2cgz h PRO 73 CO 0.43 0.01 -1.58 -2.37 -0.21 0.00 0.00 178.00 174.27 2cgz n THR 74 N -3.13 0.00 -2.79 -1.15 5.66 -1.26 -1.03 114.28 110.58 2cgz n THR 74 Ca -0.01 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2cgz n THR 74 Cb 0.21 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2cgz n THR 74 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cgz n GLY 75 N 1.37 -0.56 3.52 1.09 0.00 -1.22 -2.07 105.19 107.32 2cgz n GLY 75 Ca -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2cgz n GLY 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cgz s PHE 76 N -3.18 -0.50 -0.25 1.61 -0.12 -0.60 -1.62 117.98 113.32 2cgz s PHE 76 Ca 0.00 0.71 -0.08 0.00 -0.05 0.00 0.00 56.93 57.51 2cgz s PHE 76 Cb 0.00 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 2cgz s PHE 76 CO 0.00 -0.55 0.10 0.21 -0.05 0.00 0.00 175.22 174.93 2cgz s LYS 77 N -1.85 3.75 0.19 1.99 2.20 -1.03 -1.59 119.74 123.40 2cgz s LYS 77 Ca -0.04 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 2cgz s LYS 77 Cb -0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2cgz s LYS 77 CO 0.01 -0.15 0.12 0.00 -0.36 0.00 0.00 175.35 174.96 2cgz s ALA 78 N 1.56 1.13 0.03 3.13 0.00 -1.05 -1.25 121.76 125.32 2cgz s ALA 78 Ca 0.06 -1.67 -0.21 0.00 0.00 0.00 0.00 51.96 50.14 2cgz s ALA 78 Cb -0.15 1.29 0.05 0.00 0.00 0.00 0.00 23.12 24.31 2cgz s ALA 78 CO 0.05 -0.57 0.49 -1.54 0.00 0.00 0.00 175.76 174.19 2cgz s SER 79 N -3.15 -0.40 -0.08 0.00 1.04 -0.52 -1.39 113.70 109.21 2cgz s SER 79 Ca 0.36 0.17 -0.24 0.00 0.48 0.00 0.00 55.95 56.72 2cgz s SER 79 Cb 0.07 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 2cgz s SER 79 CO 0.10 -0.68 0.72 0.00 0.98 0.00 0.00 173.24 174.36 2cgz s TYR 81 N 1.00 1.18 0.29 0.00 5.04 -0.81 -1.28 117.35 122.77 2cgz s TYR 81 Ca 0.38 -0.50 0.02 0.00 -2.44 0.00 0.00 57.07 54.53 2cgz s TYR 81 Cb -0.18 -1.03 -0.05 0.00 0.35 0.00 0.00 41.96 41.05 2cgz s TYR 81 CO 0.17 -0.40 0.09 -0.08 -1.34 0.00 0.00 175.55 174.00 2cgz s THR 82 N 1.55 0.74 0.29 4.34 -1.32 -1.04 -0.59 115.64 119.61 2cgz s THR 82 Ca 0.01 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.30 2cgz s THR 82 Cb -0.13 -2.66 0.02 0.00 -1.51 0.00 0.00 72.50 68.22 2cgz s THR 82 CO -0.05 0.00 0.67 -1.66 -2.21 0.00 0.00 174.62 171.37 2cgz s TRP 83 N -3.57 -0.00 0.00 9.09 -2.14 -1.26 -0.84 118.94 120.22 2cgz s TRP 83 Ca 0.36 -0.46 0.00 0.00 2.66 0.00 0.00 56.10 58.67 2cgz s TRP 83 Cb 0.08 0.59 0.00 0.00 -3.10 0.00 0.00 33.47 31.04 2cgz s TRP 83 CO 0.15 -1.22 0.00 1.58 -2.66 0.00 0.00 176.95 174.79 2cgz n HIS 84 N -0.45 0.00 -0.35 1.66 -0.00 -0.21 -3.17 115.22 112.70 2cgz n HIS 84 Ca -0.04 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.21 2cgz n HIS 84 Cb 0.60 0.04 0.31 0.00 -0.12 0.00 0.00 29.99 30.82 2cgz n HIS 84 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 2cgz n ASN 85 N 1.55 4.36 -4.77 0.26 0.23 -1.26 -4.87 115.26 110.76 2cgz n ASN 85 Ca 0.00 -2.53 -0.41 0.00 -0.53 0.00 0.00 54.58 51.11 2cgz n ASN 85 Cb 0.00 -0.58 -0.01 0.00 -2.08 0.00 0.00 39.78 37.11 2cgz n ASN 85 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2cgz s THR 86 N -2.06 2.27 -0.21 5.53 2.01 -1.19 -4.86 115.64 117.13 2cgz s THR 86 Ca 0.43 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.69 2cgz s THR 86 Cb 0.30 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.66 2cgz s THR 86 CO 0.17 0.06 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.29 2cgz s LYS 87 N -1.75 3.03 -0.33 4.92 2.47 -1.26 -4.86 119.74 121.97 2cgz s LYS 87 Ca 0.53 -0.83 -0.08 0.00 -1.56 0.00 0.00 55.97 54.04 2cgz s LYS 87 Cb -0.45 -2.79 0.02 0.00 -1.46 0.00 0.00 37.83 33.15 2cgz s LYS 87 CO 0.58 -0.26 0.13 0.08 0.16 0.00 0.00 175.35 176.03 2cgz s VAL 88 N 1.34 4.10 0.06 4.02 1.01 -1.26 -1.92 120.40 127.75 2cgz s VAL 88 Ca 0.04 -0.86 0.14 0.00 0.00 0.00 0.00 61.98 61.30 2cgz s VAL 88 Cb -0.14 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2cgz s VAL 88 CO -0.08 -0.09 1.54 1.88 0.00 0.00 0.00 175.10 178.35 2cgz h TYR 89 N 8.29 0.00 -1.85 5.22 -1.99 -0.97 -2.20 116.97 123.48 2cgz h TYR 89 Ca -0.27 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.50 2cgz h TYR 89 Cb 1.11 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 39.61 2cgz h TYR 89 CO 0.60 0.56 0.16 0.45 -0.00 0.00 0.00 178.16 179.92 2cgz s SER 90 N -6.54 -0.78 -0.17 3.88 0.15 -1.05 -2.63 113.70 106.56 2cgz s SER 90 Ca 0.01 1.28 -0.06 0.00 0.70 0.00 0.00 55.95 57.88 2cgz s SER 90 Cb 0.10 1.32 0.08 0.00 -1.71 0.00 0.00 66.02 65.81 2cgz s SER 90 CO 0.74 -0.20 0.35 -0.32 1.20 0.00 0.00 173.24 175.01 2cgz s MET 91 N 1.34 0.25 -0.01 5.44 1.75 -1.24 -0.71 119.30 126.11 2cgz s MET 91 Ca -0.08 0.89 0.05 0.00 -1.25 0.00 0.00 55.69 55.30 2cgz s MET 91 Cb -0.05 0.14 -0.03 0.00 2.84 0.00 0.00 34.83 37.73 2cgz s MET 91 CO -0.16 -0.29 -0.14 -1.12 -0.65 0.00 0.00 175.02 172.66 2cgz s SER 92 N 2.53 4.03 -0.25 1.11 0.01 -1.07 -1.19 113.70 118.87 2cgz s SER 92 Ca 0.00 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.02 2cgz s SER 92 Cb -0.12 -0.80 0.06 0.00 0.21 0.00 0.00 66.02 65.37 2cgz s SER 92 CO -0.11 0.31 -0.07 -0.63 0.41 0.00 0.00 173.24 173.15 2cgz s ILE 93 N -0.83 1.77 0.34 1.44 1.01 -0.53 -1.77 121.20 122.63 2cgz s ILE 93 Ca 0.13 -1.42 -0.25 0.00 0.00 0.00 0.00 60.65 59.12 2cgz s ILE 93 Cb -0.11 -2.00 -0.10 0.00 0.01 0.00 0.00 42.46 40.27 2cgz s ILE 93 CO 0.03 -0.11 0.94 -0.44 0.00 0.00 0.00 174.94 175.36 2cgz s SER 94 N 1.28 7.26 0.09 3.58 0.01 0.29 -1.20 113.70 125.00 2cgz s SER 94 Ca -0.06 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.01 2cgz s SER 94 Cb -0.19 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 2cgz s SER 94 CO -0.06 -0.12 -0.05 -1.66 0.41 0.00 0.00 173.24 171.76 2cgz s TRP 95 N -1.72 0.77 0.04 2.43 1.48 -0.92 -1.06 118.94 119.97 2cgz s TRP 95 Ca 0.52 -0.98 0.01 0.00 -1.06 0.00 0.00 56.10 54.59 2cgz s TRP 95 Cb -0.17 -0.48 -0.02 0.00 -1.16 0.00 0.00 33.47 31.64 2cgz s TRP 95 CO 0.22 -0.24 -0.06 -1.50 -4.06 0.00 0.00 176.95 171.30 2cgz s ILE 96 N -3.74 0.39 -0.02 0.66 2.07 -0.92 -2.35 121.20 117.29 2cgz s ILE 96 Ca 0.11 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.23 2cgz s ILE 96 Cb 0.06 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 42.05 2cgz s ILE 96 CO -0.06 -0.49 -0.00 -0.94 -1.91 0.00 0.00 174.94 171.54 2cgz s SER 97 N -1.71 0.29 0.00 4.50 1.04 -0.05 -2.08 113.70 115.68 2cgz s SER 97 Ca -0.10 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.33 2cgz s SER 97 Cb -0.08 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2cgz s SER 97 CO -0.01 -0.05 -0.07 -0.63 0.98 0.00 0.00 173.24 173.47 2cgz s ILE 98 N 0.56 0.50 0.00 -1.02 1.01 -0.92 -1.73 121.20 119.61 2cgz s ILE 98 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2cgz s ILE 98 Cb -0.08 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2cgz s ILE 98 CO -0.01 0.05 0.63 -1.84 0.00 0.00 0.00 174.94 173.77 2cgz n GLU 99 N 2.67 0.00 0.00 2.79 -0.00 -1.11 -0.97 120.64 124.03 2cgz n GLU 99 Ca -0.15 0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2cgz n GLU 99 Cb 0.57 -1.13 0.00 0.00 -0.00 0.00 0.00 31.44 30.88 2cgz n GLU 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22