#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtz n ILE 1 N 0.00 0.33 -4.20 1.12 5.41 -1.26 -5.02 119.36 115.73 2gtz n ILE 1 Ca 0.00 -0.08 -0.17 0.00 1.00 0.00 0.00 62.75 63.50 2gtz n ILE 1 Cb 0.00 -1.43 -0.15 0.00 -0.71 0.00 0.00 39.64 37.35 2gtz n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2gtz s GLN 2 N 0.41 0.54 -0.01 0.38 -0.21 -1.26 -4.54 119.66 114.97 2gtz s GLN 2 Ca 0.76 -0.20 0.04 0.00 0.02 0.00 0.00 55.36 55.98 2gtz s GLN 2 Cb -0.70 -0.54 -0.01 0.00 1.00 0.00 0.00 33.01 32.76 2gtz s GLN 2 CO 0.43 0.10 -0.13 1.03 -2.12 0.00 0.00 175.29 174.60 2gtz s ARG 3 N 0.02 1.03 0.18 2.91 0.52 0.28 -4.92 118.95 118.97 2gtz s ARG 3 Ca 0.00 -0.46 -0.29 0.00 -0.52 0.00 0.00 55.73 54.46 2gtz s ARG 3 Cb -0.04 -1.00 -0.08 0.00 0.52 0.00 0.00 34.95 34.35 2gtz s ARG 3 CO -0.00 0.27 0.90 0.99 0.02 0.00 0.00 175.30 177.48 2gtz s THR 4 N -0.31 4.28 0.33 0.02 2.01 -1.26 -1.53 115.64 119.18 2gtz s THR 4 Ca 0.05 1.97 -0.29 0.00 0.31 0.00 0.00 61.69 63.73 2gtz s THR 4 Cb -0.05 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.09 2gtz s THR 4 CO -0.00 0.46 1.29 -2.16 -0.69 0.00 0.00 174.62 173.51 2gtz s PRO 5 N -0.83 4.38 -0.28 4.92 0.04 -1.26 -4.25 135.00 137.71 2gtz s PRO 5 Ca 0.41 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.47 2gtz s PRO 5 Cb -0.24 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2gtz s PRO 5 CO 0.30 -0.16 0.43 0.15 0.04 0.00 0.00 177.00 177.76 2gtz s LYS 6 N -1.76 3.99 -0.16 4.56 3.01 0.41 -4.91 119.74 124.88 2gtz s LYS 6 Ca 0.49 0.10 -0.04 0.00 -1.01 0.00 0.00 55.97 55.50 2gtz s LYS 6 Cb -0.39 -3.67 -0.03 0.00 -1.01 0.00 0.00 37.83 32.73 2gtz s LYS 6 CO 0.52 -0.33 -0.03 0.42 0.51 0.00 0.00 175.35 176.44 2gtz s ILE 7 N 2.16 3.97 -0.06 2.17 1.01 -1.26 -1.69 121.20 127.50 2gtz s ILE 7 Ca 0.17 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.52 2gtz s ILE 7 Cb -0.16 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.58 2gtz s ILE 7 CO 0.10 0.49 -0.12 -1.10 0.00 0.00 0.00 174.94 174.30 2gtz s GLN 8 N 0.40 1.69 -0.14 2.79 -0.21 -0.33 -4.99 119.66 118.86 2gtz s GLN 8 Ca -0.03 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 54.94 2gtz s GLN 8 Cb -0.14 -1.40 -0.00 0.00 1.00 0.00 0.00 33.01 32.47 2gtz s GLN 8 CO 0.03 0.03 -0.15 0.08 -2.12 0.00 0.00 175.29 173.15 2gtz s VAL 9 N 0.65 2.71 0.13 1.09 1.01 -1.26 -0.75 120.40 123.98 2gtz s VAL 9 Ca -0.14 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 2gtz s VAL 9 Cb -0.16 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.16 2gtz s VAL 9 CO 0.04 0.52 0.89 -0.72 0.00 0.00 0.00 175.10 175.83 2gtz s TYR 10 N 0.65 -0.21 0.12 5.22 1.13 -0.51 -4.63 117.35 119.12 2gtz s TYR 10 Ca -0.08 -0.07 -0.00 0.00 -1.41 0.00 0.00 57.07 55.51 2gtz s TYR 10 Cb -0.16 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2gtz s TYR 10 CO 0.02 -0.81 0.28 -1.54 -2.51 0.00 0.00 175.55 170.99 2gtz s SER 11 N -2.82 6.38 0.17 -0.18 1.04 -1.26 -0.02 113.70 117.00 2gtz s SER 11 Ca 0.10 0.31 -0.15 0.00 0.48 0.00 0.00 55.95 56.69 2gtz s SER 11 Cb -0.02 -1.97 0.06 0.00 0.10 0.00 0.00 66.02 64.19 2gtz s SER 11 CO -0.01 0.09 1.82 -0.09 0.98 0.00 0.00 173.24 176.03 2gtz h ARG 12 N 2.64 0.57 -6.33 4.02 2.43 -1.15 -3.45 114.38 113.12 2gtz h ARG 12 Ca -0.46 -0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.06 2gtz h ARG 12 Cb 1.17 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.45 2gtz h ARG 12 CO 0.72 0.38 -0.75 -1.01 -1.51 0.00 0.00 179.97 177.80 2gtz s HIS 13 N -6.15 2.39 0.10 2.20 3.76 -1.26 -5.04 115.29 111.30 2gtz s HIS 13 Ca -0.13 -0.31 -0.36 0.00 -0.15 0.00 0.00 55.06 54.12 2gtz s HIS 13 Cb 0.12 -1.09 -0.16 0.00 1.11 0.00 0.00 32.58 32.56 2gtz s HIS 13 CO 0.73 0.63 1.45 -2.30 -0.85 0.00 0.00 174.74 174.40 2gtz n PRO 14 N -0.38 1.55 -2.33 8.40 -0.02 -1.26 -4.88 135.00 136.09 2gtz n PRO 14 Ca -0.08 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 2gtz n PRO 14 Cb 0.58 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2gtz n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gtz s ALA 15 N 0.77 3.46 -0.05 3.55 0.00 -1.26 -5.04 121.76 123.19 2gtz s ALA 15 Ca 0.83 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 53.77 2gtz s ALA 15 Cb -0.85 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 18.86 2gtz s ALA 15 CO 0.44 -0.43 -0.00 -2.00 0.00 0.00 0.00 175.76 173.77 2gtz s GLU 16 N -0.07 0.50 0.17 0.00 2.12 -1.26 -5.11 118.70 115.04 2gtz s GLU 16 Ca 0.55 0.07 -0.33 0.00 0.36 0.00 0.00 54.97 55.62 2gtz s GLU 16 Cb -0.33 -0.74 -0.13 0.00 0.26 0.00 0.00 34.13 33.18 2gtz s GLU 16 CO 0.36 -0.20 1.63 0.09 -0.54 0.00 0.00 175.26 176.60 2gtz n ASN 17 N 4.59 3.36 0.00 -1.70 3.02 -1.26 -2.27 115.26 121.00 2gtz n ASN 17 Ca -0.17 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2gtz n ASN 17 Cb 0.50 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 2gtz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtz n GLY 18 N 3.60 0.74 3.22 7.41 0.00 -0.07 -4.99 105.19 115.10 2gtz n GLY 18 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2gtz n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gtz s LYS 19 N -0.54 3.15 0.60 1.61 2.20 -0.96 -5.02 119.74 120.78 2gtz s LYS 19 Ca 0.00 -0.77 -0.20 0.00 -0.36 0.00 0.00 55.97 54.64 2gtz s LYS 19 Cb 0.00 -2.63 -0.03 0.00 -1.51 0.00 0.00 37.83 33.66 2gtz s LYS 19 CO 0.00 -0.07 1.30 0.45 -0.36 0.00 0.00 175.35 176.67 2gtz n SER 20 N 4.28 2.26 -1.93 1.43 2.88 -1.26 -4.32 113.62 116.95 2gtz n SER 20 Ca -0.20 0.89 -0.05 0.00 -1.33 0.00 0.00 58.87 58.19 2gtz n SER 20 Cb 0.51 -1.55 0.01 0.00 -0.75 0.00 0.00 64.21 62.43 2gtz n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2gtz n ASN 21 N -1.41 -1.17 -4.19 -3.46 2.85 0.38 -4.99 115.26 103.27 2gtz n ASN 21 Ca 0.13 -1.84 -0.27 0.00 -0.11 0.00 0.00 54.58 52.50 2gtz n ASN 21 Cb 0.46 1.96 -0.16 0.00 1.24 0.00 0.00 39.78 43.28 2gtz n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2gtz s PHE 22 N -5.38 1.83 -0.23 1.20 0.40 -1.26 -1.27 117.98 113.28 2gtz s PHE 22 Ca 0.09 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 2gtz s PHE 22 Cb -0.02 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 2gtz s PHE 22 CO 0.06 -0.10 0.21 -1.17 0.70 0.00 0.00 175.22 174.92 2gtz s LEU 23 N -0.25 4.14 -0.08 -0.37 2.96 -0.01 -0.47 118.68 124.59 2gtz s LEU 23 Ca 0.02 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2gtz s LEU 23 Cb -0.10 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 2gtz s LEU 23 CO 0.01 0.05 -0.09 0.20 -1.32 0.00 0.00 176.35 175.20 2gtz s ASN 24 N 0.97 4.43 -0.25 3.68 0.01 0.97 -1.78 114.94 122.97 2gtz s ASN 24 Ca 0.10 -0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 2gtz s ASN 24 Cb -0.13 -1.24 0.06 0.00 0.41 0.00 0.00 41.25 40.34 2gtz s ASN 24 CO 0.05 0.30 -0.12 0.00 -1.51 0.00 0.00 177.10 175.82 2gtz s TYR 26 N 1.13 3.24 -0.13 0.00 5.04 0.07 -0.35 117.35 126.36 2gtz s TYR 26 Ca -0.07 0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.62 2gtz s TYR 26 Cb -0.19 -2.17 -0.00 0.00 0.35 0.00 0.00 41.96 39.95 2gtz s TYR 26 CO -0.06 0.04 -0.19 0.14 -1.34 0.00 0.00 175.55 174.14 2gtz s VAL 27 N 0.79 2.39 0.16 3.14 -7.23 -0.21 -1.19 120.40 118.26 2gtz s VAL 27 Ca 0.05 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2gtz s VAL 27 Cb -0.13 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2gtz s VAL 27 CO 0.02 0.54 0.09 -0.94 -0.31 0.00 0.00 175.10 174.50 2gtz s SER 28 N 0.54 0.24 -0.06 4.85 1.04 -0.68 -1.24 113.70 118.39 2gtz s SER 28 Ca -0.12 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2gtz s SER 28 Cb -0.17 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2gtz s SER 28 CO 0.04 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2gtz n GLY 29 N -0.16 0.48 3.95 7.32 0.00 -0.33 -0.44 105.19 116.00 2gtz n GLY 29 Ca -0.03 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 2gtz n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gtz s PHE 30 N -1.96 3.45 -0.28 1.61 -0.71 -1.13 -4.20 117.98 114.77 2gtz s PHE 30 Ca 0.00 0.05 -0.22 0.00 -1.04 0.00 0.00 56.93 55.72 2gtz s PHE 30 Cb 0.00 -1.61 0.08 0.00 -1.21 0.00 0.00 43.02 40.28 2gtz s PHE 30 CO 0.00 0.48 0.76 -1.58 -1.34 0.00 0.00 175.22 173.54 2gtz s HIS 31 N -1.86 -0.83 0.65 3.49 2.46 -0.58 -0.79 115.29 117.83 2gtz s HIS 31 Ca 0.34 1.87 -0.11 0.00 0.47 0.00 0.00 55.06 57.63 2gtz s HIS 31 Cb -0.10 0.39 0.16 0.00 -0.13 0.00 0.00 32.58 32.90 2gtz s HIS 31 CO 0.28 -0.40 0.65 -0.35 -2.47 0.00 0.00 174.74 172.45 2gtz n PRO 32 N 3.17 -1.81 0.08 2.88 -0.04 -1.26 -0.56 135.00 137.45 2gtz n PRO 32 Ca -0.16 -1.03 0.13 0.00 -0.04 0.00 0.00 63.50 62.40 2gtz n PRO 32 Cb 0.56 -0.88 0.30 0.00 -0.04 0.00 0.00 33.50 33.44 2gtz n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2gtz n SER 33 N -3.90 0.74 -4.65 3.54 3.41 -1.26 -4.80 113.62 106.70 2gtz n SER 33 Ca 0.09 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 2gtz n SER 33 Cb 0.33 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2gtz n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2gtz s ASP 34 N -4.32 6.52 -0.08 4.04 -0.00 -1.26 -4.97 116.67 116.60 2gtz s ASP 34 Ca 0.09 2.23 -0.12 0.00 -0.00 0.00 0.00 52.55 54.75 2gtz s ASP 34 Cb 0.13 -2.53 0.03 0.00 -0.00 0.00 0.00 42.92 40.55 2gtz s ASP 34 CO 0.65 -1.05 0.31 -0.51 -0.00 0.00 0.00 175.17 174.58 2gtz s ILE 35 N 4.50 0.02 -0.16 0.77 2.07 -1.26 -4.63 121.20 122.52 2gtz s ILE 35 Ca 0.78 -0.19 -0.04 0.00 -1.41 0.00 0.00 60.65 59.79 2gtz s ILE 35 Cb -0.34 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 41.71 2gtz s ILE 35 CO 0.32 -0.11 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.60 2gtz s GLU 36 N -0.41 3.62 -0.05 3.50 2.02 -0.20 -4.98 118.70 122.20 2gtz s GLU 36 Ca -0.05 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 54.39 2gtz s GLU 36 Cb -0.04 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.31 2gtz s GLU 36 CO 0.02 0.19 -0.01 0.08 0.02 0.00 0.00 175.26 175.55 2gtz s VAL 37 N 0.50 0.38 0.01 2.63 1.01 -1.26 -1.20 120.40 122.47 2gtz s VAL 37 Ca -0.04 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2gtz s VAL 37 Cb -0.14 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2gtz s VAL 37 CO 0.03 0.22 -0.16 -1.81 0.00 0.00 0.00 175.10 173.38 2gtz s ASP 38 N 1.39 1.84 -0.02 3.32 1.11 -0.25 -4.99 116.67 119.07 2gtz s ASP 38 Ca -0.04 -0.37 -0.14 0.00 0.18 0.00 0.00 52.55 52.18 2gtz s ASP 38 Cb -0.13 -0.17 -0.05 0.00 1.07 0.00 0.00 42.92 43.63 2gtz s ASP 38 CO -0.02 0.13 0.37 -0.76 1.18 0.00 0.00 175.17 176.07 2gtz s LEU 39 N -0.73 4.46 -0.03 1.23 1.43 -1.26 -0.68 118.68 123.11 2gtz s LEU 39 Ca 0.05 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.11 2gtz s LEU 39 Cb -0.07 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 2gtz s LEU 39 CO 0.00 0.33 -0.21 -0.76 0.23 0.00 0.00 176.35 175.95 2gtz s LEU 40 N -1.06 2.34 -0.23 1.79 1.43 0.13 -0.97 118.68 122.12 2gtz s LEU 40 Ca 0.22 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2gtz s LEU 40 Cb -0.16 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.66 2gtz s LEU 40 CO 0.12 0.33 -0.11 -0.75 0.23 0.00 0.00 176.35 176.16 2gtz s LYS 41 N -0.71 2.80 -1.53 1.70 2.20 0.13 -1.91 119.74 122.41 2gtz s LYS 41 Ca 0.11 -0.98 -0.14 0.00 -0.36 0.00 0.00 55.97 54.60 2gtz s LYS 41 Cb -0.10 -2.83 0.08 0.00 -1.51 0.00 0.00 37.83 33.47 2gtz s LYS 41 CO -0.00 -0.36 0.98 0.09 -0.36 0.00 0.00 175.35 175.70 2gtz n ASN 42 N 4.61 -4.78 0.00 1.43 3.02 0.43 -1.00 115.26 118.98 2gtz n ASN 42 Ca -0.18 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2gtz n ASN 42 Cb 0.47 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 2gtz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gtz n GLY 43 N -1.70 1.43 3.77 7.41 0.00 -1.26 -5.04 105.19 109.80 2gtz n GLY 43 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2gtz n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gtz s GLU 44 N -0.04 3.04 0.14 1.61 2.02 -0.17 -5.01 118.70 120.30 2gtz s GLU 44 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.19 2gtz s GLU 44 Cb 0.00 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 2gtz s GLU 44 CO 0.00 0.65 1.50 0.50 0.02 0.00 0.00 175.26 177.93 2gtz s ARG 45 N -1.65 4.25 -0.00 1.61 3.52 -1.26 0.17 118.95 125.59 2gtz s ARG 45 Ca 0.22 2.25 -0.28 0.00 -0.13 0.00 0.00 55.73 57.78 2gtz s ARG 45 Cb -0.12 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2gtz s ARG 45 CO 0.13 -0.55 0.91 0.42 -0.81 0.00 0.00 175.30 175.39 2gtz s ILE 46 N 1.21 4.87 -0.17 4.11 1.01 -0.14 -4.84 121.20 127.25 2gtz s ILE 46 Ca 0.68 1.91 0.17 0.00 0.00 0.00 0.00 60.65 63.41 2gtz s ILE 46 Cb -0.41 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 37.79 2gtz s ILE 46 CO 0.31 0.21 1.12 -0.33 0.00 0.00 0.00 174.94 176.24 2gtz h GLU 47 N 6.62 0.00 -2.45 2.79 5.08 -1.94 -3.40 114.58 121.28 2gtz h GLU 47 Ca -0.41 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.42 2gtz h GLU 47 Cb 1.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 2gtz h GLU 47 CO 0.75 0.31 1.73 1.17 -1.00 0.00 0.00 179.01 181.96 2gtz n LYS 48 N -2.99 3.23 -4.67 2.33 4.81 -1.26 -4.94 118.16 114.67 2gtz n LYS 48 Ca -0.03 -2.23 -0.33 0.00 -0.87 0.00 0.00 58.31 54.85 2gtz n LYS 48 Cb 0.75 -2.42 -0.16 0.00 0.02 0.00 0.00 35.03 33.22 2gtz n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2gtz s VAL 49 N 0.18 2.54 0.31 3.15 1.01 -1.26 -4.62 120.40 121.71 2gtz s VAL 49 Ca 0.63 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2gtz s VAL 49 Cb 0.26 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2gtz s VAL 49 CO -0.09 0.53 0.27 -1.61 0.00 0.00 0.00 175.10 174.20 2gtz s GLU 50 N 0.70 2.81 0.07 2.72 2.02 -0.35 -4.91 118.70 121.76 2gtz s GLU 50 Ca -0.08 -1.20 -0.04 0.00 0.02 0.00 0.00 54.97 53.67 2gtz s GLU 50 Cb -0.16 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2gtz s GLU 50 CO 0.01 0.19 0.07 -3.38 0.02 0.00 0.00 175.26 172.18 2gtz s HIS 51 N -2.24 0.37 0.82 1.61 -3.43 -1.26 -0.96 115.29 110.19 2gtz s HIS 51 Ca 0.39 -0.86 -0.12 0.00 -0.80 0.00 0.00 55.06 53.66 2gtz s HIS 51 Cb -0.07 -0.25 0.08 0.00 -1.43 0.00 0.00 32.58 30.92 2gtz s HIS 51 CO 0.26 -0.46 1.13 -1.54 -2.00 0.00 0.00 174.74 172.13 2gtz s SER 52 N -2.90 4.39 0.27 7.38 1.04 -0.24 -5.00 113.70 118.64 2gtz s SER 52 Ca 0.07 1.06 -0.29 0.00 0.48 0.00 0.00 55.95 57.26 2gtz s SER 52 Cb 0.07 -1.70 -0.09 0.00 0.10 0.00 0.00 66.02 64.39 2gtz s SER 52 CO -0.10 -2.01 1.00 -1.81 0.98 0.00 0.00 173.24 171.30 2gtz s ASP 53 N -4.18 7.44 0.15 7.02 -0.00 -1.26 -4.76 116.67 121.09 2gtz s ASP 53 Ca 0.61 2.05 -0.31 0.00 -0.00 0.00 0.00 52.55 54.90 2gtz s ASP 53 Cb -0.13 -2.61 -0.11 0.00 -0.00 0.00 0.00 42.92 40.07 2gtz s ASP 53 CO 0.52 0.00 1.81 -0.11 -0.00 0.00 0.00 175.17 177.39 2gtz n LEU 54 N 1.21 4.08 -4.18 1.23 7.94 -1.26 -4.92 117.00 121.09 2gtz n LEU 54 Ca -0.01 1.01 -0.15 0.00 -1.11 0.00 0.00 56.01 55.74 2gtz n LEU 54 Cb 0.47 -1.56 -0.07 0.00 0.53 0.00 0.00 43.42 42.78 2gtz n LEU 54 CO 0.50 0.20 -0.04 -0.55 -1.11 0.00 0.00 177.39 176.39 2gtz s SER 55 N 2.26 0.94 0.12 1.96 0.15 -1.22 -5.05 113.70 112.86 2gtz s SER 55 Ca 0.80 -1.52 -0.08 0.00 0.70 0.00 0.00 55.95 55.84 2gtz s SER 55 Cb -0.48 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 2gtz s SER 55 CO 0.35 -1.09 0.21 0.72 1.20 0.00 0.00 173.24 174.64 2gtz s PHE 56 N -3.55 0.28 0.73 3.44 -0.12 -1.26 -1.59 117.98 115.91 2gtz s PHE 56 Ca 0.36 -0.68 0.00 0.00 -0.05 0.00 0.00 56.93 56.56 2gtz s PHE 56 Cb 0.02 -0.08 0.14 0.00 -0.63 0.00 0.00 43.02 42.47 2gtz s PHE 56 CO 0.20 -0.60 1.01 -1.12 -0.05 0.00 0.00 175.22 174.66 2gtz s SER 57 N -2.91 4.27 0.58 1.98 0.01 0.53 -4.93 113.70 113.22 2gtz s SER 57 Ca 0.10 -0.52 0.27 0.00 1.31 0.00 0.00 55.95 57.11 2gtz s SER 57 Cb 0.04 0.22 1.62 0.00 0.21 0.00 0.00 66.02 68.11 2gtz s SER 57 CO -0.07 -1.93 2.12 0.11 0.41 0.00 0.00 173.24 173.89 2gtz h LYS 58 N -0.54 0.00 -0.51 12.44 1.57 -2.03 -0.37 116.57 127.14 2gtz h LYS 58 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2gtz h LYS 58 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2gtz h LYS 58 CO 0.38 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.86 2gtz n ASP 59 N -3.95 2.66 0.00 0.86 5.75 -1.26 -4.92 116.55 115.69 2gtz n ASP 59 Ca 0.01 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 2gtz n ASP 59 Cb 0.28 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2gtz n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2gtz n TRP 60 N 0.69 0.00 -2.55 2.11 7.02 -0.15 -5.02 117.44 119.54 2gtz n TRP 60 Ca 0.15 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.27 2gtz n TRP 60 Cb 0.47 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.32 2gtz n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2gtz s SER 61 N -3.51 6.63 0.43 -0.99 1.04 -1.26 -4.66 113.70 111.38 2gtz s SER 61 Ca 0.00 2.00 -0.05 0.00 0.48 0.00 0.00 55.95 58.38 2gtz s SER 61 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2gtz s SER 61 CO 0.00 -0.58 0.72 -0.36 0.98 0.00 0.00 173.24 174.00 2gtz s PHE 62 N -1.77 3.54 0.01 5.02 0.08 0.03 -0.35 117.98 124.54 2gtz s PHE 62 Ca 0.61 0.73 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 2gtz s PHE 62 Cb -0.20 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 2gtz s PHE 62 CO 0.25 -0.15 0.05 1.52 -0.10 0.00 0.00 175.22 176.79 2gtz s TYR 63 N -2.58 0.13 -0.02 0.36 -0.85 -0.62 -1.18 117.35 112.60 2gtz s TYR 63 Ca 0.46 -0.29 -0.09 0.00 -0.52 0.00 0.00 57.07 56.63 2gtz s TYR 63 Cb -0.10 -0.11 0.01 0.00 0.38 0.00 0.00 41.96 42.14 2gtz s TYR 63 CO 0.41 -0.22 0.19 -0.51 -1.52 0.00 0.00 175.55 173.90 2gtz s LEU 64 N -1.31 1.33 -0.15 -3.49 1.43 -0.37 -3.42 118.68 112.70 2gtz s LEU 64 Ca -0.14 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2gtz s LEU 64 Cb -0.08 0.82 -0.00 0.00 0.03 0.00 0.00 46.19 46.95 2gtz s LEU 64 CO 0.00 -0.34 -0.15 -0.22 0.23 0.00 0.00 176.35 175.87 2gtz s LEU 65 N -1.12 2.51 -0.06 1.79 2.96 -1.26 -1.04 118.68 122.46 2gtz s LEU 65 Ca -0.12 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2gtz s LEU 65 Cb -0.06 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 2gtz s LEU 65 CO 0.02 0.10 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.81 2gtz s TYR 66 N 0.70 3.03 0.00 5.38 2.02 0.52 -1.07 117.35 127.93 2gtz s TYR 66 Ca -0.07 0.09 -0.25 0.00 -0.37 0.00 0.00 57.07 56.46 2gtz s TYR 66 Cb -0.16 -1.72 0.06 0.00 -0.40 0.00 0.00 41.96 39.74 2gtz s TYR 66 CO 0.02 0.40 0.57 1.52 -1.57 0.00 0.00 175.55 176.48 2gtz s TYR 67 N -0.89 -0.50 -0.01 2.71 -0.85 -0.14 -0.38 117.35 117.29 2gtz s TYR 67 Ca 0.14 0.73 -0.18 0.00 -0.52 0.00 0.00 57.07 57.24 2gtz s TYR 67 Cb -0.11 0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.61 2gtz s TYR 67 CO 0.03 -0.61 0.40 -0.08 -1.52 0.00 0.00 175.55 173.77 2gtz s THR 68 N -1.81 0.05 0.34 -3.49 -1.32 -0.73 -1.21 115.64 107.47 2gtz s THR 68 Ca -0.09 -0.39 -0.27 0.00 -1.21 0.00 0.00 61.69 59.73 2gtz s THR 68 Cb -0.01 -0.75 -0.09 0.00 -1.51 0.00 0.00 72.50 70.13 2gtz s THR 68 CO 0.04 -0.22 1.09 -0.70 -2.21 0.00 0.00 174.62 172.62 2gtz s GLU 69 N -1.53 4.37 0.15 7.08 2.12 -1.26 -0.83 118.70 128.79 2gtz s GLU 69 Ca -0.11 1.69 -0.15 0.00 0.36 0.00 0.00 54.97 56.76 2gtz s GLU 69 Cb -0.03 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.52 2gtz s GLU 69 CO 0.04 -0.00 0.41 -0.59 -0.54 0.00 0.00 175.26 174.58 2gtz s PHE 70 N -1.39 -0.09 -0.28 5.30 -0.71 -0.39 -4.84 117.98 115.58 2gtz s PHE 70 Ca 0.51 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 56.17 2gtz s PHE 70 Cb -0.28 0.25 0.08 0.00 -1.21 0.00 0.00 43.02 41.86 2gtz s PHE 70 CO 0.35 -0.76 0.00 0.99 -1.34 0.00 0.00 175.22 174.46 2gtz s THR 71 N -3.85 1.66 0.53 -4.49 2.01 -1.26 -0.47 115.64 109.77 2gtz s THR 71 Ca 0.07 -1.60 -0.22 0.00 0.31 0.00 0.00 61.69 60.24 2gtz s THR 71 Cb 0.01 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.41 2gtz s THR 71 CO -0.08 -0.35 1.29 -0.81 -0.69 0.00 0.00 174.62 173.99 2gtz n PRO 72 N 4.57 1.63 -4.39 4.92 -0.04 -1.26 -4.75 135.00 135.68 2gtz n PRO 72 Ca -0.06 0.60 -0.21 0.00 -0.04 0.00 0.00 63.50 63.79 2gtz n PRO 72 Cb 0.43 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.31 2gtz n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2gtz s THR 73 N -1.30 0.42 0.09 0.52 -4.23 -1.26 -0.89 115.64 108.98 2gtz s THR 73 Ca 0.70 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.02 2gtz s THR 73 Cb -0.43 -2.48 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 2gtz s THR 73 CO 0.50 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 176.08 2gtz h GLU 74 N 2.08 0.36 0.00 3.99 4.57 -1.98 -3.33 114.58 120.26 2gtz h GLU 74 Ca -0.33 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 57.60 2gtz h GLU 74 Cb 1.25 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 2gtz h GLU 74 CO 0.53 0.48 -1.06 1.57 -1.18 0.00 0.00 179.01 179.34 2gtz h LYS 75 N 0.18 0.00 -6.50 1.92 2.10 -2.02 -3.46 116.57 108.79 2gtz h LYS 75 Ca 0.07 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.19 2gtz h LYS 75 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2gtz h LYS 75 CO 0.00 0.44 0.44 -0.51 -2.00 0.00 0.00 179.45 177.82 2gtz s ASP 76 N -6.12 7.28 -0.14 7.07 1.01 -1.25 -5.02 116.67 119.50 2gtz s ASP 76 Ca -0.00 1.86 -0.04 0.00 0.71 0.00 0.00 52.55 55.08 2gtz s ASP 76 Cb 0.08 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2gtz s ASP 76 CO 0.79 -0.29 -0.02 -1.61 0.21 0.00 0.00 175.17 174.25 2gtz s GLU 77 N 0.65 3.53 0.19 8.23 2.02 -1.26 -4.73 118.70 127.34 2gtz s GLU 77 Ca 0.53 -0.47 0.11 0.00 0.02 0.00 0.00 54.97 55.16 2gtz s GLU 77 Cb -0.25 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 2gtz s GLU 77 CO 0.30 0.36 -0.24 0.71 0.02 0.00 0.00 175.26 176.41 2gtz s TYR 78 N 0.05 2.29 0.23 1.61 2.02 -1.26 -0.43 117.35 121.86 2gtz s TYR 78 Ca 0.01 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.14 2gtz s TYR 78 Cb -0.13 -1.14 0.04 0.00 -0.40 0.00 0.00 41.96 40.33 2gtz s TYR 78 CO 0.02 0.48 0.66 0.00 -1.57 0.00 0.00 175.55 175.15 2gtz s ALA 79 N -1.64 -1.31 -0.07 3.71 0.00 -0.80 -0.96 121.76 120.69 2gtz s ALA 79 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.14 2gtz s ALA 79 Cb -0.08 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.92 2gtz s ALA 79 CO 0.09 -0.93 -0.15 0.00 0.00 0.00 0.00 175.76 174.78 2gtz s ARG 81 N 0.53 3.62 -0.03 0.00 3.52 0.14 -1.05 118.95 125.68 2gtz s ARG 81 Ca -0.14 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 2gtz s ARG 81 Cb -0.16 -3.00 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2gtz s ARG 81 CO 0.05 0.09 -0.11 0.08 -0.81 0.00 0.00 175.30 174.60 2gtz s VAL 82 N 0.77 0.96 0.05 7.11 1.01 0.54 -1.09 120.40 129.74 2gtz s VAL 82 Ca -0.01 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.59 2gtz s VAL 82 Cb -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2gtz s VAL 82 CO 0.02 0.29 -0.18 0.21 0.00 0.00 0.00 175.10 175.45 2gtz s ASN 83 N 0.23 2.12 -0.04 3.32 2.47 -0.34 -0.83 114.94 121.86 2gtz s ASN 83 Ca -0.05 -0.51 -0.29 0.00 0.42 0.00 0.00 52.86 52.43 2gtz s ASN 83 Cb -0.10 -0.15 0.10 0.00 -1.45 0.00 0.00 41.25 39.64 2gtz s ASN 83 CO 0.01 0.09 0.83 -2.28 -3.72 0.00 0.00 177.10 172.04 2gtz s HIS 84 N -0.86 -0.45 0.58 0.43 5.65 -1.26 -1.03 115.29 118.34 2gtz s HIS 84 Ca 0.05 0.58 0.28 0.00 0.25 0.00 0.00 55.06 56.21 2gtz s HIS 84 Cb -0.09 0.48 1.60 0.00 -1.18 0.00 0.00 32.58 33.40 2gtz s HIS 84 CO 0.02 -0.54 2.08 -0.24 -0.65 0.00 0.00 174.74 175.41 2gtz h VAL 85 N 2.41 0.52 0.00 0.89 3.04 -1.95 -1.16 116.25 120.00 2gtz h VAL 85 Ca -0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2gtz h VAL 85 Cb 1.20 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2gtz h VAL 85 CO 0.34 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.25 2gtz n THR 86 N -3.89 0.08 -3.89 3.17 -2.24 -1.26 -4.75 114.28 101.49 2gtz n THR 86 Ca 0.03 0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 2gtz n THR 86 Cb 0.36 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 67.93 2gtz n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gtz s LEU 87 N -2.88 3.56 0.50 3.22 1.43 -0.44 -4.99 118.68 119.07 2gtz s LEU 87 Ca 0.17 -0.11 0.29 0.00 -1.03 0.00 0.00 54.13 53.46 2gtz s LEU 87 Cb 0.19 -1.93 1.10 0.00 0.03 0.00 0.00 46.19 45.57 2gtz s LEU 87 CO 0.49 0.05 1.89 0.77 0.23 0.00 0.00 176.35 179.77 2gtz h SER 88 N 7.63 0.00 -5.15 2.29 4.64 -1.85 -3.43 113.55 117.69 2gtz h SER 88 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 2gtz h SER 88 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 2gtz h SER 88 CO 0.62 0.08 -0.43 0.00 -0.87 0.00 0.00 176.83 176.23 2gtz s GLN 89 N -3.60 0.77 0.42 4.77 0.00 -1.26 -5.14 119.66 115.62 2gtz s GLN 89 Ca 0.02 -0.92 -0.25 0.00 -0.00 0.00 0.00 55.36 54.21 2gtz s GLN 89 Cb 0.09 0.31 -0.10 0.00 0.00 0.00 0.00 33.01 33.30 2gtz s GLN 89 CO 0.59 -0.23 1.12 -2.30 0.00 0.00 0.00 175.29 174.47 2gtz n PRO 90 N 0.16 1.58 -4.33 9.60 -0.02 -1.26 -4.94 135.00 135.78 2gtz n PRO 90 Ca -0.16 0.56 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 2gtz n PRO 90 Cb 0.61 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 2gtz n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2gtz s LYS 91 N -2.11 3.51 -0.17 -0.52 2.20 -0.01 -4.91 119.74 117.73 2gtz s LYS 91 Ca 0.63 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2gtz s LYS 91 Cb -0.54 -2.92 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2gtz s LYS 91 CO 0.57 0.39 -0.13 0.42 -0.36 0.00 0.00 175.35 176.24 2gtz s ILE 92 N -0.02 2.85 -0.20 5.43 1.01 -1.26 -0.34 121.20 128.66 2gtz s ILE 92 Ca 0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 2gtz s ILE 92 Cb -0.13 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 2gtz s ILE 92 CO 0.02 0.50 -0.09 -0.69 0.00 0.00 0.00 174.94 174.68 2gtz s VAL 93 N 0.94 3.00 0.27 2.92 1.01 -0.22 -4.97 120.40 123.36 2gtz s VAL 93 Ca -0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2gtz s VAL 93 Cb -0.15 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 2gtz s VAL 93 CO -0.01 0.46 0.85 -0.54 0.00 0.00 0.00 175.10 175.85 2gtz s LYS 94 N 1.34 4.48 0.01 2.72 1.02 -1.26 -1.15 119.74 126.90 2gtz s LYS 94 Ca 0.04 1.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 2gtz s LYS 94 Cb -0.14 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.21 2gtz s LYS 94 CO -0.05 0.36 1.54 -0.46 -0.92 0.00 0.00 175.35 175.82 2gtz s TRP 95 N -1.51 2.51 -0.27 3.18 -0.00 -0.14 -4.88 118.94 117.84 2gtz s TRP 95 Ca 0.46 0.52 0.03 0.00 -0.00 0.00 0.00 56.10 57.10 2gtz s TRP 95 Cb -0.19 -3.82 0.06 0.00 -0.00 0.00 0.00 33.47 29.53 2gtz s TRP 95 CO 0.23 -3.21 -0.09 0.34 -0.00 0.00 0.00 176.95 174.22 2gtz s ASP 96 N 2.38 4.49 0.00 5.86 -1.08 -1.26 -4.76 116.67 122.31 2gtz s ASP 96 Ca 0.69 -1.48 0.31 0.00 -0.52 0.00 0.00 52.55 51.55 2gtz s ASP 96 Cb -0.34 -1.56 1.72 0.00 -1.46 0.00 0.00 42.92 41.28 2gtz s ASP 96 CO 0.29 -0.21 2.14 -2.11 0.52 0.00 0.00 175.17 175.79 2gtz n ARG 97 N 4.41 0.74 -0.59 4.34 1.85 -1.26 -3.83 116.66 122.33 2gtz n ARG 97 Ca -0.12 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.79 2gtz n ARG 97 Cb 0.42 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.60 2gtz n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2gtz n ASP 98 N -1.12 4.00 0.00 2.89 10.43 -1.26 -4.92 116.55 126.57 2gtz n ASP 98 Ca 0.20 -3.13 0.14 0.00 2.57 0.00 0.00 54.79 54.56 2gtz n ASP 98 Cb 0.16 -0.59 0.81 0.00 1.84 0.00 0.00 41.12 43.34 2gtz n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36