#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1m n GLY 18 N 0.00 3.62 3.93 -1.84 0.00 -1.26 -5.10 105.19 104.54 3a1m n GLY 18 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 3a1m n GLY 18 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 19 N 0.00 4.86 0.24 1.61 -0.87 -1.26 -5.06 114.94 114.46 3a1m s ASN 19 Ca 0.00 0.50 -0.15 0.00 -1.57 0.00 0.00 52.86 51.64 3a1m s ASN 19 Cb 0.00 -1.16 -0.08 0.00 -0.02 0.00 0.00 41.25 39.98 3a1m s ASN 19 CO 0.00 -1.58 0.67 -0.83 -2.57 0.00 0.00 177.10 172.79 3a1m s GLY 20 N -4.50 2.43 0.09 0.66 0.00 -1.26 -5.05 107.32 99.69 3a1m s GLY 20 Ca 0.60 -0.00 -0.36 0.00 0.00 0.00 0.00 44.72 44.96 3a1m s GLY 20 CO 0.45 0.25 1.04 2.41 0.00 0.00 0.00 173.10 177.25 3a1m n THR 21 N 0.22 0.56 -3.21 0.90 -1.04 -1.26 -4.97 114.28 105.48 3a1m n THR 21 Ca -0.00 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 3a1m n THR 21 Cb 0.52 -0.33 -0.07 0.00 -1.82 0.00 0.00 70.33 68.63 3a1m n THR 21 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3a1m s ILE 22 N -0.15 5.04 -0.11 12.58 1.01 -1.26 -5.06 121.20 133.25 3a1m s ILE 22 Ca 0.81 0.80 0.02 0.00 0.00 0.00 0.00 60.65 62.28 3a1m s ILE 22 Cb -1.06 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 37.52 3a1m s ILE 22 CO 0.54 0.00 -0.18 -0.22 0.00 0.00 0.00 174.94 175.09 3a1m s LEU 23 N 2.38 2.46 -0.23 2.97 0.20 -1.26 -5.10 118.68 120.10 3a1m s LEU 23 Ca 0.22 -0.41 -0.06 0.00 0.69 0.00 0.00 54.13 54.57 3a1m s LEU 23 Cb -0.15 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 3a1m s LEU 23 CO 0.10 0.18 0.01 -0.69 -0.29 0.00 0.00 176.35 175.66 3a1m s VAL 24 N 0.27 3.90 -1.34 1.68 1.01 -1.26 -5.00 120.40 119.66 3a1m s VAL 24 Ca -0.13 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3a1m s VAL 24 Cb -0.16 -2.79 0.12 0.00 0.00 0.00 0.00 36.38 33.54 3a1m s VAL 24 CO 0.07 0.39 2.22 0.29 0.00 0.00 0.00 175.10 178.06 3a1m n LYS 25 N 4.69 4.02 0.00 2.72 5.02 -1.26 -4.79 118.16 128.57 3a1m n LYS 25 Ca -0.17 -3.33 0.00 0.00 -2.02 0.00 0.00 58.31 52.79 3a1m n LYS 25 Cb 0.51 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 3a1m n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1m n GLY 26 N 2.46 0.28 3.91 0.72 0.00 -1.26 -5.13 105.19 106.17 3a1m n GLY 26 Ca 0.54 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 3a1m n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 27 N -4.00 5.74 -0.05 1.61 0.01 -1.26 -5.08 114.94 111.91 3a1m s ASN 27 Ca 0.00 0.87 0.01 0.00 -0.71 0.00 0.00 52.86 53.04 3a1m s ASN 27 Cb 0.00 -1.90 0.02 0.00 0.41 0.00 0.00 41.25 39.78 3a1m s ASN 27 CO 0.00 -1.00 -0.06 0.54 -1.51 0.00 0.00 177.10 175.07 3a1m s VAL 28 N -3.02 0.61 -0.14 1.60 0.11 -1.26 -5.05 120.40 113.26 3a1m s VAL 28 Ca 0.53 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 3a1m s VAL 28 Cb -0.11 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3a1m s VAL 28 CO 0.47 0.24 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.42 3a1m s THR 29 N 0.84 1.71 -0.08 5.04 2.01 -1.26 -5.12 115.64 118.79 3a1m s THR 29 Ca -0.12 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3a1m s THR 29 Cb -0.15 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.81 3a1m s THR 29 CO 0.01 0.48 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.62 3a1m s ILE 30 N 1.14 1.51 -0.11 1.82 1.01 -1.26 -5.12 121.20 120.18 3a1m s ILE 30 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.96 3a1m s ILE 30 Cb -0.14 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 40.99 3a1m s ILE 30 CO -0.06 0.44 -0.22 -0.63 0.00 0.00 0.00 174.94 174.48 3a1m s ILE 31 N 0.54 1.94 -0.24 2.92 1.01 -1.26 -5.11 121.20 121.00 3a1m s ILE 31 Ca -0.16 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.50 3a1m s ILE 31 Cb -0.17 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3a1m s ILE 31 CO 0.06 0.53 0.02 -0.69 0.00 0.00 0.00 174.94 174.86 3a1m s VAL 32 N 0.60 3.87 0.20 2.92 1.01 -1.26 -5.03 120.40 122.72 3a1m s VAL 32 Ca -0.13 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3a1m s VAL 32 Cb -0.17 -2.80 -0.12 0.00 0.00 0.00 0.00 36.38 33.30 3a1m s VAL 32 CO 0.04 0.37 1.45 -0.33 0.00 0.00 0.00 175.10 176.62 3a1m h GLU 33 N 8.18 0.07 0.00 2.72 5.08 -2.07 -3.46 114.58 125.10 3a1m h GLU 33 Ca -0.40 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3a1m h GLU 33 Cb 1.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3a1m h GLU 33 CO 0.59 0.83 0.00 0.41 -1.00 0.00 0.00 179.01 179.84 3a1m n GLY 34 N 0.75 1.11 3.93 -3.84 0.00 -1.26 -5.11 105.19 100.77 3a1m n GLY 34 Ca -0.02 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 3a1m n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 35 N -0.91 6.36 -0.17 1.61 0.01 -1.26 -5.08 114.94 115.49 3a1m s ASN 35 Ca 0.00 0.46 0.01 0.00 -0.71 0.00 0.00 52.86 52.62 3a1m s ASN 35 Cb 0.00 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.65 3a1m s ASN 35 CO 0.00 -0.18 -0.16 0.00 -1.51 0.00 0.00 177.10 175.25 3a1m s ALA 36 N -2.10 2.08 -0.21 0.60 0.00 -1.26 -5.09 121.76 115.79 3a1m s ALA 36 Ca 0.40 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3a1m s ALA 36 Cb -0.10 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 21.93 3a1m s ALA 36 CO 0.32 -0.41 -0.13 -0.51 0.00 0.00 0.00 175.76 175.03 3a1m s ASP 37 N 1.39 3.54 -0.10 0.00 1.01 -1.26 -5.12 116.67 116.14 3a1m s ASP 37 Ca 0.04 -0.93 0.02 0.00 0.71 0.00 0.00 52.55 52.40 3a1m s ASP 37 Cb -0.13 -1.38 -0.01 0.00 1.01 0.00 0.00 42.92 42.41 3a1m s ASP 37 CO -0.11 -0.11 -0.17 -0.63 0.21 0.00 0.00 175.17 174.35 3a1m s ILE 38 N 1.30 2.71 -0.05 0.77 1.01 -1.26 -5.12 121.20 120.55 3a1m s ILE 38 Ca -0.01 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3a1m s ILE 38 Cb -0.16 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3a1m s ILE 38 CO -0.09 0.55 -0.11 -0.89 0.00 0.00 0.00 174.94 174.40 3a1m s THR 39 N 0.13 1.01 -0.17 2.92 2.01 -1.26 -5.12 115.64 115.16 3a1m s THR 39 Ca -0.09 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3a1m s THR 39 Cb -0.15 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.46 3a1m s THR 39 CO 0.05 0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.44 3a1m s VAL 40 N 0.56 1.87 -0.09 3.82 1.01 -1.26 -5.01 120.40 121.30 3a1m s VAL 40 Ca -0.11 -0.84 0.14 0.00 0.00 0.00 0.00 61.98 61.17 3a1m s VAL 40 Cb -0.14 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 3a1m s VAL 40 CO 0.03 0.49 1.08 0.11 0.00 0.00 0.00 175.10 176.80 3a1m h LYS 41 N 7.98 0.00 0.00 2.72 1.57 -2.07 -3.45 116.57 123.32 3a1m h LYS 41 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3a1m h LYS 41 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3a1m h LYS 41 CO 0.59 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 180.37 3a1m n GLY 42 N 1.35 0.82 3.84 3.86 0.00 -1.26 -5.10 105.19 108.70 3a1m n GLY 42 Ca -0.05 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 3a1m n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 43 N -1.00 5.83 -0.12 1.61 1.01 -1.26 -5.11 116.67 117.63 3a1m s ASP 43 Ca 0.00 0.02 0.03 0.00 0.71 0.00 0.00 52.55 53.32 3a1m s ASP 43 Cb 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.30 3a1m s ASP 43 CO 0.00 0.10 -0.22 0.00 0.21 0.00 0.00 175.17 175.26 3a1m s ALA 44 N -1.63 2.23 -0.11 5.23 0.00 -1.26 -5.08 121.76 121.14 3a1m s ALA 44 Ca 0.32 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3a1m s ALA 44 Cb -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.10 3a1m s ALA 44 CO 0.25 0.13 -0.20 0.99 0.00 0.00 0.00 175.76 176.93 3a1m s THR 45 N 0.57 1.84 -0.00 0.00 2.01 -1.26 -5.13 115.64 113.66 3a1m s THR 45 Ca -0.13 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.07 3a1m s THR 45 Cb -0.17 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 3a1m s THR 45 CO 0.04 0.51 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.36 3a1m s THR 46 N 0.63 1.78 -0.03 -0.82 2.01 -1.26 -5.12 115.64 112.82 3a1m s THR 46 Ca -0.13 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.86 3a1m s THR 46 Cb -0.16 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3a1m s THR 46 CO 0.03 0.45 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.17 3a1m s LEU 47 N -0.66 1.41 -0.16 4.42 2.96 -1.26 -5.11 118.68 120.27 3a1m s LEU 47 Ca 0.09 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3a1m s LEU 47 Cb -0.09 -0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.32 3a1m s LEU 47 CO -0.00 -0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.18 3a1m s VAL 48 N 0.74 1.49 0.18 1.68 1.01 -1.26 -5.01 120.40 119.23 3a1m s VAL 48 Ca -0.09 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.28 3a1m s VAL 48 Cb -0.12 -1.49 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 3a1m s VAL 48 CO -0.01 0.32 1.49 -0.33 0.00 0.00 0.00 175.10 176.58 3a1m h GLU 49 N 8.05 0.00 0.00 2.72 5.08 -2.07 -3.45 114.58 124.91 3a1m h GLU 49 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3a1m h GLU 49 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3a1m h GLU 49 CO 0.49 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.64 3a1m n GLY 50 N 0.72 1.70 3.90 -3.84 0.00 -1.26 -5.08 105.19 101.33 3a1m n GLY 50 Ca -0.00 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 3a1m n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 51 N -1.00 6.48 -0.15 1.61 0.01 -1.26 -5.09 114.94 115.54 3a1m s ASN 51 Ca 0.00 0.70 0.01 0.00 -0.71 0.00 0.00 52.86 52.86 3a1m s ASN 51 Cb 0.00 -2.14 0.01 0.00 0.41 0.00 0.00 41.25 39.53 3a1m s ASN 51 CO 0.00 -0.11 -0.19 -1.58 -1.51 0.00 0.00 177.10 173.71 3a1m s GLN 52 N -3.20 3.08 -0.13 -0.60 0.74 -1.26 -5.07 119.66 113.21 3a1m s GLN 52 Ca 0.43 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 55.05 3a1m s GLN 52 Cb -0.11 -2.53 0.01 0.00 1.10 0.00 0.00 33.01 31.49 3a1m s GLN 52 CO 0.27 -0.05 -0.19 0.99 -0.55 0.00 0.00 175.29 175.76 3a1m s THR 53 N 0.93 1.82 -0.10 -0.34 2.01 -1.26 -5.13 115.64 113.57 3a1m s THR 53 Ca -0.04 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.16 3a1m s THR 53 Cb -0.15 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.73 3a1m s THR 53 CO -0.04 0.50 -0.19 0.20 -0.69 0.00 0.00 174.62 174.40 3a1m s ASN 54 N 0.97 2.70 -0.07 3.53 0.01 -1.26 -5.12 114.94 115.70 3a1m s ASN 54 Ca -0.05 -0.49 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 3a1m s ASN 54 Cb -0.15 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.28 3a1m s ASN 54 CO -0.03 0.09 -0.18 -0.89 -1.51 0.00 0.00 177.10 174.57 3a1m s THR 55 N 0.62 1.60 -0.13 1.60 2.01 -1.26 -5.11 115.64 114.96 3a1m s THR 55 Ca -0.14 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 3a1m s THR 55 Cb -0.16 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 70.97 3a1m s THR 55 CO 0.04 0.46 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.64 3a1m s VAL 56 N 0.37 1.23 -0.53 3.82 1.01 -1.26 -5.01 120.40 120.03 3a1m s VAL 56 Ca -0.13 -0.45 0.24 0.00 0.00 0.00 0.00 61.98 61.63 3a1m s VAL 56 Cb -0.16 -1.23 0.09 0.00 0.00 0.00 0.00 36.38 35.08 3a1m s VAL 56 CO 0.05 0.37 1.33 0.78 0.00 0.00 0.00 175.10 177.64 3a1m h ASN 57 N 8.12 0.00 0.00 3.32 2.35 -2.07 -3.45 115.58 123.86 3a1m h ASN 57 Ca -0.32 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3a1m h ASN 57 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3a1m h ASN 57 CO 0.45 0.06 0.00 0.61 -1.65 0.00 0.00 177.43 176.90 3a1m n GLY 58 N 1.27 0.54 3.66 2.83 0.00 -1.26 -5.11 105.19 107.12 3a1m n GLY 58 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3a1m n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 59 N -1.00 4.87 -0.15 1.61 0.01 -1.26 -5.11 114.94 113.91 3a1m s ASN 59 Ca 0.00 -0.22 -0.01 0.00 -0.71 0.00 0.00 52.86 51.92 3a1m s ASN 59 Cb 0.00 -1.11 -0.02 0.00 0.41 0.00 0.00 41.25 40.53 3a1m s ASN 59 CO 0.00 0.18 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.45 3a1m s LEU 60 N -2.24 2.85 -0.05 0.60 2.96 -1.26 -5.07 118.68 116.46 3a1m s LEU 60 Ca 0.24 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3a1m s LEU 60 Cb -0.12 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.93 3a1m s LEU 60 CO 0.17 0.13 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.70 3a1m s SER 61 N 0.55 1.29 -0.08 3.68 0.15 -1.26 -5.14 113.70 112.90 3a1m s SER 61 Ca -0.07 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.43 3a1m s SER 61 Cb -0.15 -0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 63.55 3a1m s SER 61 CO 0.03 -0.02 -0.22 0.26 1.20 0.00 0.00 173.24 174.49 3a1m s TRP 62 N 0.82 2.31 -0.10 3.44 0.52 -1.26 -5.12 118.94 119.56 3a1m s TRP 62 Ca -0.12 -0.82 -0.00 0.00 0.02 0.00 0.00 56.10 55.18 3a1m s TRP 62 Cb -0.15 -1.54 0.02 0.00 -1.15 0.00 0.00 33.47 30.65 3a1m s TRP 62 CO 0.01 -0.31 -0.07 0.21 0.02 0.00 0.00 176.95 176.81 3a1m s LYS 63 N 0.16 1.43 -0.10 4.98 2.20 -1.26 -5.11 119.74 122.05 3a1m s LYS 63 Ca -0.11 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.24 3a1m s LYS 63 Cb -0.16 -1.47 0.03 0.00 -1.51 0.00 0.00 37.83 34.73 3a1m s LYS 63 CO 0.06 -0.22 0.01 0.08 -0.36 0.00 0.00 175.35 174.92 3a1m s VAL 64 N 1.54 0.39 0.24 4.02 1.01 -1.26 -5.02 120.40 121.32 3a1m s VAL 64 Ca 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3a1m s VAL 64 Cb -0.13 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3a1m s VAL 64 CO -0.06 0.17 1.59 0.00 0.00 0.00 0.00 175.10 176.80 3a1m h ALA 65 N 8.32 0.88 -3.00 5.51 0.00 -2.08 -3.45 119.26 125.44 3a1m h ALA 65 Ca -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3a1m h ALA 65 Cb 1.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3a1m h ALA 65 CO 0.27 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.61 3a1m n GLY 66 N 0.11 2.03 3.98 0.00 0.00 -1.26 -5.09 105.19 104.96 3a1m n GLY 66 Ca -0.02 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 3a1m n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a1m s THR 67 N 4.75 4.19 -0.11 2.61 -4.23 -1.26 -5.11 115.64 116.49 3a1m s THR 67 Ca 0.00 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 3a1m s THR 67 Cb 0.00 -3.48 0.01 0.00 1.34 0.00 0.00 72.50 70.37 3a1m s THR 67 CO 0.00 -0.22 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.96 3a1m s VAL 68 N -2.24 1.92 -0.05 2.29 1.01 -1.26 -5.08 120.40 116.98 3a1m s VAL 68 Ca 0.45 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3a1m s VAL 68 Cb -0.10 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3a1m s VAL 68 CO 0.32 0.53 -0.15 -0.62 0.00 0.00 0.00 175.10 175.19 3a1m s ASP 69 N 0.56 1.91 -0.10 3.32 2.15 -1.26 -5.13 116.67 118.13 3a1m s ASP 69 Ca -0.14 -0.32 0.02 0.00 0.43 0.00 0.00 52.55 52.55 3a1m s ASP 69 Cb -0.17 -0.64 0.01 0.00 -0.30 0.00 0.00 42.92 41.82 3a1m s ASP 69 CO 0.04 0.10 -0.16 0.26 -0.17 0.00 0.00 175.17 175.25 3a1m s TRP 70 N 0.25 1.94 -0.28 -5.34 0.52 -1.26 -5.10 118.94 109.68 3a1m s TRP 70 Ca -0.07 -0.85 0.02 0.00 0.02 0.00 0.00 56.10 55.21 3a1m s TRP 70 Cb -0.12 -1.38 0.08 0.00 -1.15 0.00 0.00 33.47 30.89 3a1m s TRP 70 CO 0.03 -0.42 -0.02 0.34 0.02 0.00 0.00 176.95 176.90 3a1m s ASP 71 N 0.81 4.22 -0.16 2.95 2.15 -1.26 -5.09 116.67 120.29 3a1m s ASP 71 Ca -0.10 -1.53 0.01 0.00 0.43 0.00 0.00 52.55 51.36 3a1m s ASP 71 Cb -0.16 -1.33 0.00 0.00 -0.30 0.00 0.00 42.92 41.14 3a1m s ASP 71 CO 0.01 -0.29 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.87 3a1m s VAL 72 N 1.24 2.49 0.18 1.11 1.01 -1.26 -5.01 120.40 120.16 3a1m s VAL 72 Ca -0.00 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 3a1m s VAL 72 Cb -0.19 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3a1m s VAL 72 CO -0.09 0.52 1.50 1.23 0.00 0.00 0.00 175.10 178.27 3a1m h GLY 73 N 7.43 0.69 0.00 4.51 0.00 -2.08 -3.47 103.07 110.15 3a1m h GLY 73 Ca -0.35 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.21 3a1m h GLY 73 CO 0.58 0.70 0.00 0.61 0.00 0.00 0.00 176.54 178.42 3a1m n GLY 74 N 0.22 4.16 3.81 4.60 0.00 -1.26 -5.10 105.19 111.62 3a1m n GLY 74 Ca -0.03 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 3a1m n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 75 N 0.06 5.79 -0.14 1.61 1.01 -1.26 -5.06 116.67 118.68 3a1m s ASP 75 Ca 0.00 1.75 0.00 0.00 0.71 0.00 0.00 52.55 55.01 3a1m s ASP 75 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 3a1m s ASP 75 CO 0.00 -1.16 -0.14 0.86 0.21 0.00 0.00 175.17 174.94 3a1m s TRP 76 N -2.59 2.79 -0.01 4.23 -0.11 -1.26 -5.12 118.94 116.87 3a1m s TRP 76 Ca 0.62 -0.85 0.04 0.00 1.22 0.00 0.00 56.10 57.12 3a1m s TRP 76 Cb -0.15 -1.87 -0.01 0.00 -1.50 0.00 0.00 33.47 29.94 3a1m s TRP 76 CO 0.40 -0.35 -0.11 0.95 -4.62 0.00 0.00 176.95 173.21 3a1m s THR 77 N 0.61 0.91 -0.07 5.86 -4.23 -1.26 -5.14 115.64 112.32 3a1m s THR 77 Ca -0.08 -0.49 -0.20 0.00 -1.18 0.00 0.00 61.69 59.75 3a1m s THR 77 Cb -0.16 -0.76 0.04 0.00 1.34 0.00 0.00 72.50 72.96 3a1m s THR 77 CO 0.03 0.26 0.45 -1.83 -0.54 0.00 0.00 174.62 172.99 3a1m s GLU 78 N -0.24 0.74 0.03 3.99 -1.05 -1.26 -5.16 118.70 115.75 3a1m s GLU 78 Ca 0.04 0.15 0.02 0.00 -0.15 0.00 0.00 54.97 55.03 3a1m s GLU 78 Cb -0.05 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.97 3a1m s GLU 78 CO -0.00 -0.19 -0.07 0.15 0.95 0.00 0.00 175.26 176.09 3a1m s LYS 79 N -0.88 0.52 0.20 -4.83 1.02 -1.26 -5.17 119.74 109.34 3a1m s LYS 79 Ca -0.09 -0.59 -0.20 0.00 0.02 0.00 0.00 55.97 55.10 3a1m s LYS 79 Cb -0.03 -0.37 0.04 0.00 -0.52 0.00 0.00 37.83 36.95 3a1m s LYS 79 CO 0.05 0.08 0.60 0.00 -0.92 0.00 0.00 175.35 175.16 3a1m s MET 80 N -1.12 1.45 0.21 1.68 0.23 -1.26 -5.06 119.30 115.44 3a1m s MET 80 Ca -0.06 -0.75 0.01 0.00 -1.03 0.00 0.00 55.69 53.86 3a1m s MET 80 Cb -0.07 0.57 0.18 0.00 -1.53 0.00 0.00 34.83 33.98 3a1m s MET 80 CO 0.00 -0.64 1.53 0.00 -2.03 0.00 0.00 175.02 173.88 3a1m h ALA 81 N 2.07 0.77 -2.90 3.16 0.00 -2.09 -3.46 119.26 116.81 3a1m h ALA 81 Ca -0.28 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 3a1m h ALA 81 Cb 1.28 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 3a1m h ALA 81 CO 0.34 0.71 0.09 -1.54 0.00 0.00 0.00 179.25 178.85 3a1m s SER 82 N -6.91 -0.38 -0.05 0.00 1.04 -1.26 -5.16 113.70 100.97 3a1m s SER 82 Ca -0.06 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3a1m s SER 82 Cb 0.12 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3a1m s SER 82 CO 0.82 -0.99 -0.15 -0.32 0.98 0.00 0.00 173.24 173.58 3a1m s MET 83 N -3.81 1.77 -0.15 4.02 0.00 -1.26 -5.11 119.30 114.77 3a1m s MET 83 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 55.69 55.19 3a1m s MET 83 Cb -0.01 -1.49 0.04 0.00 0.00 0.00 0.00 34.83 33.37 3a1m s MET 83 CO -0.09 0.15 -0.04 0.45 0.00 0.00 0.00 175.02 175.50 3a1m s SER 84 N 0.28 2.57 -0.26 1.11 0.15 -1.26 -5.11 113.70 111.18 3a1m s SER 84 Ca -0.08 -0.55 -0.00 0.00 0.70 0.00 0.00 55.95 56.02 3a1m s SER 84 Cb -0.13 -0.80 0.08 0.00 -1.71 0.00 0.00 66.02 63.46 3a1m s SER 84 CO 0.03 -0.19 0.03 -0.55 1.20 0.00 0.00 173.24 173.76 3a1m s SER 85 N 1.72 3.74 -0.19 5.45 0.15 -1.26 -5.10 113.70 118.21 3a1m s SER 85 Ca 0.02 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.34 3a1m s SER 85 Cb -0.15 -0.95 0.04 0.00 -1.71 0.00 0.00 66.02 63.26 3a1m s SER 85 CO -0.07 -0.33 -0.08 -0.63 1.20 0.00 0.00 173.24 173.32 3a1m s ILE 86 N 1.56 1.45 0.02 6.45 1.01 -1.26 -5.12 121.20 125.30 3a1m s ILE 86 Ca 0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 3a1m s ILE 86 Cb -0.18 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 3a1m s ILE 86 CO -0.14 0.14 0.42 -0.94 0.00 0.00 0.00 174.94 174.43 3a1m s SER 87 N 1.48 6.82 0.43 3.58 1.04 -1.26 -5.00 113.70 120.79 3a1m s SER 87 Ca -0.01 0.98 0.24 0.00 0.48 0.00 0.00 55.95 57.64 3a1m s SER 87 Cb -0.16 -2.26 0.74 0.00 0.10 0.00 0.00 66.02 64.44 3a1m s SER 87 CO -0.08 0.30 1.75 0.77 0.98 0.00 0.00 173.24 176.96 3a1m h SER 88 N 4.59 0.00 0.00 7.02 4.64 -2.07 -3.46 113.55 124.27 3a1m h SER 88 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3a1m h SER 88 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3a1m h SER 88 CO 0.62 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 3a1m n GLY 89 N 0.49 3.60 3.82 -0.77 0.00 -1.26 -5.11 105.19 105.96 3a1m n GLY 89 Ca 0.01 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 3a1m n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a1m s GLN 90 N 3.72 3.61 -0.17 1.61 -0.21 -1.26 -5.06 119.66 121.90 3a1m s GLN 90 Ca 0.00 1.13 -0.02 0.00 0.02 0.00 0.00 55.36 56.49 3a1m s GLN 90 Cb 0.00 -2.08 0.05 0.00 1.00 0.00 0.00 33.01 31.99 3a1m s GLN 90 CO 0.00 -0.57 0.03 -0.47 -2.12 0.00 0.00 175.29 172.16 3a1m s TYR 91 N -2.46 0.98 -0.09 0.91 5.04 -1.26 -4.92 117.35 115.55 3a1m s TYR 91 Ca 0.62 -0.73 0.04 0.00 -2.44 0.00 0.00 57.07 54.56 3a1m s TYR 91 Cb -0.14 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.17 3a1m s TYR 91 CO 0.33 -0.56 -0.22 0.99 -1.34 0.00 0.00 175.55 174.74 3a1m s THR 92 N 1.87 2.24 -0.05 4.34 2.01 -1.26 -5.11 115.64 119.68 3a1m s THR 92 Ca 0.00 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.07 3a1m s THR 92 Cb -0.16 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 3a1m s THR 92 CO -0.07 0.56 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.59 3a1m s ILE 93 N 0.12 1.60 0.05 1.82 1.01 -1.26 -5.14 121.20 119.41 3a1m s ILE 93 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3a1m s ILE 93 Cb -0.16 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3a1m s ILE 93 CO 0.06 0.46 -0.04 -0.62 0.00 0.00 0.00 174.94 174.79 3a1m s ASP 94 N 0.03 0.61 0.11 3.58 -1.08 -1.26 -5.16 116.67 113.51 3a1m s ASP 94 Ca -0.05 -0.80 -0.26 0.00 -0.52 0.00 0.00 52.55 50.92 3a1m s ASP 94 Cb -0.13 0.13 0.08 0.00 -1.46 0.00 0.00 42.92 41.54 3a1m s ASP 94 CO 0.03 -0.43 1.08 -0.83 0.52 0.00 0.00 175.17 175.54 3a1m s GLY 95 N -2.36 -0.18 0.25 2.66 0.00 -1.26 -5.04 107.32 101.39 3a1m s GLY 95 Ca -0.01 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.88 3a1m s GLY 95 CO -0.05 1.01 1.61 1.48 0.00 0.00 0.00 173.10 177.15 3a1m h SER 96 N 2.00 0.37 -3.67 1.64 4.64 -2.08 -3.41 113.55 113.04 3a1m h SER 96 Ca -0.26 -0.18 -0.24 0.00 -0.47 0.00 0.00 61.79 60.63 3a1m h SER 96 Cb 1.22 -0.10 -0.29 0.00 -0.31 0.00 0.00 62.40 62.91 3a1m h SER 96 CO 0.29 0.80 -0.70 -0.13 -0.87 0.00 0.00 176.83 176.22 3a1m s ARG 97 N -4.02 0.01 -0.22 4.77 0.52 -1.26 -5.14 118.95 113.61 3a1m s ARG 97 Ca -0.05 0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.23 3a1m s ARG 97 Cb 0.12 -0.06 0.01 0.00 0.52 0.00 0.00 34.95 35.55 3a1m s ARG 97 CO 0.80 -0.05 -0.09 0.42 0.02 0.00 0.00 175.30 176.40 3a1m s ILE 98 N 0.32 2.81 -0.22 1.52 1.01 -1.26 -5.10 121.20 120.27 3a1m s ILE 98 Ca -0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 3a1m s ILE 98 Cb -0.04 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.11 3a1m s ILE 98 CO -0.01 0.35 -0.07 -1.81 0.00 0.00 0.00 174.94 173.40 3a1m s ASP 99 N 1.36 4.13 -0.22 3.58 1.01 -1.26 -5.09 116.67 120.17 3a1m s ASP 99 Ca 0.03 -0.56 0.02 0.00 0.71 0.00 0.00 52.55 52.75 3a1m s ASP 99 Cb -0.15 -1.68 0.04 0.00 1.01 0.00 0.00 42.92 42.14 3a1m s ASP 99 CO -0.06 -0.05 -0.14 -0.63 0.21 0.00 0.00 175.17 174.50 3a1m s ILE 100 N 1.41 2.22 0.00 0.77 1.01 -1.26 -5.27 121.20 120.08 3a1m s ILE 100 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3a1m s ILE 100 Cb -0.15 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.20 3a1m s ILE 100 CO -0.05 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.75