#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 -0.06 3.86 8.31 0.00 -1.26 -4.85 105.19 111.20 3a1m n GLY 18 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.09 6.39 0.35 1.61 0.01 -1.26 -5.05 114.94 115.89 3a1m s ASN 19 Ca 0.00 1.41 -0.02 0.00 -0.71 0.00 0.00 52.86 53.54 3a1m s ASN 19 Cb 0.00 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 3a1m s ASN 19 CO 0.00 -0.71 0.58 -0.83 -1.51 0.00 0.00 177.10 174.63 3a1m s GLY 20 N -3.72 1.52 0.30 0.66 0.00 -1.26 -5.07 107.32 99.75 3a1m s GLY 20 Ca 0.55 -0.75 -0.28 0.00 0.00 0.00 0.00 44.72 44.25 3a1m s GLY 20 CO 0.44 -0.66 1.06 2.41 0.00 0.00 0.00 173.10 176.36 3a1m n THR 21 N -1.60 2.00 -3.45 0.90 -1.04 -1.26 -4.99 114.28 104.84 3a1m n THR 21 Ca -0.03 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.09 3a1m n THR 21 Cb 0.55 -1.11 -0.10 0.00 -1.82 0.00 0.00 70.33 67.86 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 -1.06 5.21 -0.14 12.58 1.01 -1.26 -5.06 121.20 132.47 3a1m s ILE 22 Ca 0.58 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3a1m s ILE 22 Cb -0.68 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 3a1m s ILE 22 CO 0.60 0.12 -0.15 -0.22 0.00 0.00 0.00 174.94 175.29 3a1m s LEU 23 N 1.96 2.56 -0.26 2.97 2.96 -1.26 -5.10 118.68 122.51 3a1m s LEU 23 Ca 0.12 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 3a1m s LEU 23 Cb -0.16 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3a1m s LEU 23 CO 0.11 0.12 0.14 -0.69 -1.32 0.00 0.00 176.35 174.70 3a1m s VAL 24 N 0.62 4.90 -1.29 1.68 1.01 -1.26 -4.99 120.40 121.07 3a1m s VAL 24 Ca -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 3a1m s VAL 24 Cb -0.16 -3.32 0.15 0.00 0.00 0.00 0.00 36.38 33.05 3a1m s VAL 24 CO 0.03 0.29 2.26 0.29 0.00 0.00 0.00 175.10 177.97 3a1m n LYS 25 N 4.96 4.56 0.00 2.72 5.02 -1.26 -4.79 118.16 129.37 3a1m n LYS 25 Ca -0.15 -3.60 0.00 0.00 -2.02 0.00 0.00 58.31 52.54 3a1m n LYS 25 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 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 1.68 0.03 3.86 0.72 0.00 -1.26 -5.14 105.19 105.09 3a1m n GLY 26 Ca 0.58 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 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 5.25 -0.03 1.61 0.01 -1.26 -5.08 114.94 111.44 3a1m s ASN 27 Ca 0.00 1.22 0.02 0.00 -0.71 0.00 0.00 52.86 53.39 3a1m s ASN 27 Cb 0.00 -2.02 0.01 0.00 0.41 0.00 0.00 41.25 39.64 3a1m s ASN 27 CO 0.00 -1.48 -0.06 0.54 -1.51 0.00 0.00 177.10 174.59 3a1m s VAL 28 N -3.28 0.59 -0.09 1.60 0.11 -1.26 -5.04 120.40 113.03 3a1m s VAL 28 Ca 0.59 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 3a1m s VAL 28 Cb -0.12 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 3a1m s VAL 28 CO 0.53 0.20 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.47 3a1m s THR 29 N 0.39 1.37 -0.05 5.04 2.01 -1.26 -5.13 115.64 118.02 3a1m s THR 29 Ca -0.05 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3a1m s THR 29 Cb -0.09 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.16 3a1m s THR 29 CO 0.00 0.41 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.58 3a1m s ILE 30 N 0.91 1.15 -0.07 1.82 1.01 -1.26 -5.13 121.20 119.64 3a1m s ILE 30 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3a1m s ILE 30 Cb -0.15 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.31 3a1m s ILE 30 CO 0.00 0.35 -0.13 -0.63 0.00 0.00 0.00 174.94 174.53 3a1m s ILE 31 N 0.32 1.18 -0.21 2.92 1.01 -1.26 -5.11 121.20 120.05 3a1m s ILE 31 Ca -0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 3a1m s ILE 31 Cb -0.12 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3a1m s ILE 31 CO 0.02 0.37 -0.06 -0.69 0.00 0.00 0.00 174.94 174.58 3a1m s VAL 32 N 0.65 3.21 0.11 2.92 1.01 -1.26 -5.02 120.40 122.02 3a1m s VAL 32 Ca -0.15 -0.55 0.14 0.00 0.00 0.00 0.00 61.98 61.42 3a1m s VAL 32 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3a1m s VAL 32 CO 0.04 0.44 1.55 -0.33 0.00 0.00 0.00 175.10 176.80 3a1m h GLU 33 N 8.06 0.00 0.00 2.72 5.08 -2.07 -3.46 114.58 124.91 3a1m h GLU 33 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3a1m h GLU 33 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3a1m h GLU 33 CO 0.61 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 179.61 3a1m n GLY 34 N 0.69 1.90 3.90 -3.84 0.00 -1.26 -5.11 105.19 101.47 3a1m n GLY 34 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.26 6.47 -0.16 1.61 0.01 -1.26 -5.08 114.94 116.28 3a1m s ASN 35 Ca 0.00 0.63 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 3a1m s ASN 35 Cb 0.00 -2.11 0.01 0.00 0.41 0.00 0.00 41.25 39.56 3a1m s ASN 35 CO 0.00 -0.06 -0.18 0.00 -1.51 0.00 0.00 177.10 175.35 3a1m s ALA 36 N -1.85 2.39 -0.19 0.60 0.00 -1.26 -5.09 121.76 116.37 3a1m s ALA 36 Ca 0.42 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3a1m s ALA 36 Cb -0.11 -1.15 0.04 0.00 0.00 0.00 0.00 23.12 21.90 3a1m s ALA 36 CO 0.27 -0.09 -0.09 0.34 0.00 0.00 0.00 175.76 176.19 3a1m s ASP 37 N 0.91 3.26 -0.10 0.00 -1.08 -1.26 -5.12 116.67 113.28 3a1m s ASP 37 Ca -0.04 -0.84 0.04 0.00 -0.52 0.00 0.00 52.55 51.19 3a1m s ASP 37 Cb -0.15 -1.14 0.00 0.00 -1.46 0.00 0.00 42.92 40.17 3a1m s ASP 37 CO -0.03 -0.16 -0.23 -0.63 0.52 0.00 0.00 175.17 174.65 3a1m s ILE 38 N 1.46 1.96 -0.04 4.11 1.01 -1.26 -5.12 121.20 123.32 3a1m s ILE 38 Ca -0.01 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3a1m s ILE 38 Cb -0.16 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 3a1m s ILE 38 CO -0.08 0.54 -0.14 -0.89 0.00 0.00 0.00 174.94 174.37 3a1m s THR 39 N 0.38 1.20 -0.17 2.92 2.01 -1.26 -5.12 115.64 115.60 3a1m s THR 39 Ca -0.18 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3a1m s THR 39 Cb -0.18 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.32 3a1m s THR 39 CO 0.08 0.35 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.54 3a1m s VAL 40 N 0.09 1.63 -0.16 3.82 1.01 -1.26 -5.02 120.40 120.51 3a1m s VAL 40 Ca -0.03 -0.79 0.17 0.00 0.00 0.00 0.00 61.98 61.32 3a1m s VAL 40 Cb -0.10 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3a1m s VAL 40 CO 0.02 0.36 1.18 0.11 0.00 0.00 0.00 175.10 176.77 3a1m h LYS 41 N 8.02 0.00 0.00 2.72 1.57 -2.07 -3.45 116.57 123.36 3a1m h LYS 41 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3a1m h LYS 41 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3a1m h LYS 41 CO 0.52 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 3a1m n GLY 42 N 1.28 0.84 3.84 3.86 0.00 -1.26 -5.11 105.19 108.64 3a1m n GLY 42 Ca -0.02 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 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 5.80 -0.12 1.61 1.01 -1.26 -5.11 116.67 117.60 3a1m s ASP 43 Ca 0.00 0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.30 3a1m s ASP 43 Cb 0.00 -1.62 -0.00 0.00 1.01 0.00 0.00 42.92 42.31 3a1m s ASP 43 CO 0.00 0.11 -0.19 0.00 0.21 0.00 0.00 175.17 175.30 3a1m s ALA 44 N -1.61 2.36 -0.11 5.23 0.00 -1.26 -5.08 121.76 121.29 3a1m s ALA 44 Ca 0.32 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3a1m s ALA 44 Cb -0.11 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3a1m s ALA 44 CO 0.25 0.20 -0.14 0.99 0.00 0.00 0.00 175.76 177.05 3a1m s THR 45 N 0.46 1.43 0.00 0.00 2.01 -1.26 -5.13 115.64 113.15 3a1m s THR 45 Ca -0.13 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.35 3a1m s THR 45 Cb -0.17 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 3a1m s THR 45 CO 0.06 0.43 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.28 3a1m s THR 46 N 1.04 2.20 -0.04 -0.82 2.01 -1.26 -5.12 115.64 113.66 3a1m s THR 46 Ca -0.06 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 60.79 3a1m s THR 46 Cb -0.15 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.57 3a1m s THR 46 CO -0.02 0.50 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.11 3a1m s LEU 47 N -0.87 1.58 -0.14 4.42 2.96 -1.26 -5.11 118.68 120.27 3a1m s LEU 47 Ca 0.11 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3a1m s LEU 47 Cb -0.10 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.08 3a1m s LEU 47 CO 0.00 0.01 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.23 3a1m s VAL 48 N 0.55 1.43 0.09 1.68 1.01 -1.26 -5.00 120.40 118.90 3a1m s VAL 48 Ca -0.09 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.39 3a1m s VAL 48 Cb -0.12 -1.36 -0.23 0.00 0.00 0.00 0.00 36.38 34.67 3a1m s VAL 48 CO 0.01 0.43 1.19 -0.33 0.00 0.00 0.00 175.10 176.41 3a1m h GLU 49 N 8.06 0.08 0.00 2.72 5.08 -2.07 -3.45 114.58 125.00 3a1m h GLU 49 Ca -0.36 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3a1m h GLU 49 Cb 1.14 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3a1m h GLU 49 CO 0.50 1.03 0.00 0.41 -1.00 0.00 0.00 179.01 179.95 3a1m n GLY 50 N 1.42 1.61 3.87 -3.84 0.00 -1.26 -5.08 105.19 101.90 3a1m n GLY 50 Ca -0.04 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 6.66 -0.17 1.61 0.01 -1.26 -5.08 114.94 115.71 3a1m s ASN 51 Ca 0.00 0.92 -0.01 0.00 -0.71 0.00 0.00 52.86 53.07 3a1m s ASN 51 Cb 0.00 -2.23 -0.00 0.00 0.41 0.00 0.00 41.25 39.43 3a1m s ASN 51 CO 0.00 -0.00 -0.13 -1.58 -1.51 0.00 0.00 177.10 173.87 3a1m s GLN 52 N -2.53 3.24 -0.12 -0.60 0.74 -1.26 -5.08 119.66 114.05 3a1m s GLN 52 Ca 0.43 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 55.14 3a1m s GLN 52 Cb -0.12 -2.70 0.01 0.00 1.10 0.00 0.00 33.01 31.30 3a1m s GLN 52 CO 0.21 -0.03 -0.20 0.99 -0.55 0.00 0.00 175.29 175.71 3a1m s THR 53 N 0.95 1.85 -0.10 -0.34 2.01 -1.26 -5.13 115.64 113.63 3a1m s THR 53 Ca -0.02 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3a1m s THR 53 Cb -0.15 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 70.73 3a1m s THR 53 CO -0.02 0.51 -0.13 0.20 -0.69 0.00 0.00 174.62 174.50 3a1m s ASN 54 N 0.80 2.17 -0.07 3.53 0.01 -1.26 -5.12 114.94 115.01 3a1m s ASN 54 Ca -0.09 -0.36 0.05 0.00 -0.71 0.00 0.00 52.86 51.75 3a1m s ASN 54 Cb -0.16 -0.95 -0.01 0.00 0.41 0.00 0.00 41.25 40.54 3a1m s ASN 54 CO -0.00 -0.01 -0.23 -0.89 -1.51 0.00 0.00 177.10 174.46 3a1m s THR 55 N 1.03 1.91 -0.13 1.60 2.01 -1.26 -5.11 115.64 115.69 3a1m s THR 55 Ca -0.07 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 60.96 3a1m s THR 55 Cb -0.15 -1.63 0.03 0.00 0.01 0.00 0.00 72.50 70.76 3a1m s THR 55 CO -0.01 0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 3a1m s VAL 56 N 0.05 0.99 -0.81 3.82 1.01 -1.26 -5.02 120.40 119.18 3a1m s VAL 56 Ca -0.09 -0.39 0.25 0.00 0.00 0.00 0.00 61.98 61.76 3a1m s VAL 56 Cb -0.15 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.20 3a1m s VAL 56 CO 0.05 0.26 1.42 0.59 0.00 0.00 0.00 175.10 177.42 3a1m n ASN 57 N 4.94 0.56 0.00 3.32 3.02 -1.26 -4.78 115.26 121.06 3a1m n ASN 57 Ca -0.12 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3a1m n ASN 57 Cb 0.49 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3a1m n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1m n GLY 58 N 1.41 0.69 3.69 7.41 0.00 -1.26 -5.12 105.19 112.01 3a1m n GLY 58 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.78 5.02 -0.12 1.61 0.01 -1.26 -5.11 114.94 114.31 3a1m s ASN 59 Ca 0.00 -0.18 -0.00 0.00 -0.71 0.00 0.00 52.86 51.97 3a1m s ASN 59 Cb 0.00 -1.20 -0.02 0.00 0.41 0.00 0.00 41.25 40.44 3a1m s ASN 59 CO 0.00 0.18 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.44 3a1m s LEU 60 N -2.29 2.89 -0.04 0.60 2.96 -1.26 -5.07 118.68 116.47 3a1m s LEU 60 Ca 0.26 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3a1m s LEU 60 Cb -0.12 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.94 3a1m s LEU 60 CO 0.18 0.21 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.84 3a1m s SER 61 N 0.11 0.84 -0.07 3.68 0.15 -1.26 -5.15 113.70 112.00 3a1m s SER 61 Ca -0.04 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.55 3a1m s SER 61 Cb -0.14 -0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3a1m s SER 61 CO 0.04 -0.07 -0.23 0.26 1.20 0.00 0.00 173.24 174.45 3a1m s TRP 62 N 0.95 2.32 -0.11 3.44 0.52 -1.26 -5.11 118.94 119.69 3a1m s TRP 62 Ca -0.11 -0.82 -0.01 0.00 0.02 0.00 0.00 56.10 55.18 3a1m s TRP 62 Cb -0.14 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.66 3a1m s TRP 62 CO -0.00 -0.30 -0.04 0.21 0.02 0.00 0.00 176.95 176.83 3a1m s LYS 63 N 0.15 1.13 -0.11 4.98 2.20 -1.26 -5.11 119.74 121.73 3a1m s LYS 63 Ca -0.11 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 3a1m s LYS 63 Cb -0.16 -1.45 0.03 0.00 -1.51 0.00 0.00 37.83 34.75 3a1m s LYS 63 CO 0.06 -0.32 -0.02 0.08 -0.36 0.00 0.00 175.35 174.79 3a1m s VAL 64 N 1.80 0.64 0.21 4.02 1.01 -1.26 -5.01 120.40 121.81 3a1m s VAL 64 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3a1m s VAL 64 Cb -0.13 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 3a1m s VAL 64 CO -0.07 0.20 1.49 0.00 0.00 0.00 0.00 175.10 176.72 3a1m h ALA 65 N 8.25 0.73 -3.00 5.51 0.00 -2.08 -3.45 119.26 125.22 3a1m h ALA 65 Ca -0.22 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.05 3a1m h ALA 65 Cb 1.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3a1m h ALA 65 CO 0.32 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.82 3a1m n GLY 66 N 0.55 2.09 3.96 0.00 0.00 -1.26 -5.09 105.19 105.43 3a1m n GLY 66 Ca -0.02 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 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 4.86 4.33 -0.09 2.61 -4.23 -1.26 -5.11 115.64 116.76 3a1m s THR 67 Ca 0.00 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 3a1m s THR 67 Cb 0.00 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.28 3a1m s THR 67 CO 0.00 -0.33 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.84 3a1m s VAL 68 N -2.36 1.88 -0.03 2.29 1.01 -1.26 -5.10 120.40 116.84 3a1m s VAL 68 Ca 0.45 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3a1m s VAL 68 Cb -0.10 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3a1m s VAL 68 CO 0.35 0.52 -0.10 -0.62 0.00 0.00 0.00 175.10 175.25 3a1m s ASP 69 N 0.37 1.34 -0.08 3.32 2.15 -1.26 -5.13 116.67 117.38 3a1m s ASP 69 Ca -0.17 -0.21 0.02 0.00 0.43 0.00 0.00 52.55 52.62 3a1m s ASP 69 Cb -0.17 -0.36 0.01 0.00 -0.30 0.00 0.00 42.92 42.10 3a1m s ASP 69 CO 0.08 0.08 -0.13 0.26 -0.17 0.00 0.00 175.17 175.29 3a1m s TRP 70 N 0.17 1.58 -0.24 -5.34 0.52 -1.26 -5.11 118.94 109.26 3a1m s TRP 70 Ca -0.03 -0.64 0.01 0.00 0.02 0.00 0.00 56.10 55.47 3a1m s TRP 70 Cb -0.09 -1.16 0.06 0.00 -1.15 0.00 0.00 33.47 31.13 3a1m s TRP 70 CO 0.01 -0.34 -0.06 0.34 0.02 0.00 0.00 176.95 176.92 3a1m s ASP 71 N 0.82 4.03 -0.19 2.95 2.15 -1.26 -5.09 116.67 120.08 3a1m s ASP 71 Ca -0.11 -1.27 0.01 0.00 0.43 0.00 0.00 52.55 51.61 3a1m s ASP 71 Cb -0.15 -1.28 0.02 0.00 -0.30 0.00 0.00 42.92 41.21 3a1m s ASP 71 CO 0.02 -0.23 -0.18 -0.69 -0.17 0.00 0.00 175.17 173.92 3a1m s VAL 72 N 1.31 2.16 0.23 1.11 1.01 -1.26 -5.00 120.40 119.96 3a1m s VAL 72 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3a1m s VAL 72 Cb -0.19 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 3a1m s VAL 72 CO -0.06 0.45 1.60 1.23 0.00 0.00 0.00 175.10 178.32 3a1m h GLY 73 N 7.93 0.51 0.00 4.51 0.00 -2.08 -3.46 103.07 110.48 3a1m h GLY 73 Ca -0.42 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3a1m h GLY 73 CO 0.61 0.48 0.00 0.61 0.00 0.00 0.00 176.54 178.24 3a1m n GLY 74 N 0.01 3.77 3.79 4.60 0.00 -1.26 -5.10 105.19 111.00 3a1m n GLY 74 Ca -0.02 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.23 5.56 -0.15 1.61 1.01 -1.26 -5.06 116.67 118.15 3a1m s ASP 75 Ca 0.00 1.87 0.01 0.00 0.71 0.00 0.00 52.55 55.14 3a1m s ASP 75 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3a1m s ASP 75 CO 0.00 -1.32 -0.18 0.86 0.21 0.00 0.00 175.17 174.74 3a1m s TRP 76 N -2.43 2.74 0.01 4.23 -0.11 -1.26 -5.12 118.94 116.99 3a1m s TRP 76 Ca 0.65 -1.11 0.04 0.00 1.22 0.00 0.00 56.10 56.89 3a1m s TRP 76 Cb -0.17 -1.85 -0.01 0.00 -1.50 0.00 0.00 33.47 29.93 3a1m s TRP 76 CO 0.39 -0.50 -0.12 0.95 -4.62 0.00 0.00 176.95 173.05 3a1m s THR 77 N 0.76 0.95 -0.14 5.86 -4.23 -1.26 -5.15 115.64 112.44 3a1m s THR 77 Ca -0.07 -0.66 -0.25 0.00 -1.18 0.00 0.00 61.69 59.54 3a1m s THR 77 Cb -0.16 -0.82 0.06 0.00 1.34 0.00 0.00 72.50 72.92 3a1m s THR 77 CO 0.00 0.16 0.62 -1.83 -0.54 0.00 0.00 174.62 173.04 3a1m s GLU 78 N -0.56 0.86 0.03 3.99 -1.05 -1.26 -5.16 118.70 115.56 3a1m s GLU 78 Ca 0.03 0.53 0.02 0.00 -0.15 0.00 0.00 54.97 55.40 3a1m s GLU 78 Cb -0.06 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 3a1m s GLU 78 CO 0.00 -0.19 -0.08 0.15 0.95 0.00 0.00 175.26 176.09 3a1m s LYS 79 N -0.44 0.54 0.28 -4.83 1.02 -1.26 -5.17 119.74 109.88 3a1m s LYS 79 Ca -0.06 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.10 3a1m s LYS 79 Cb -0.03 -0.38 0.04 0.00 -0.52 0.00 0.00 37.83 36.94 3a1m s LYS 79 CO 0.05 0.08 0.81 0.00 -0.92 0.00 0.00 175.35 175.37 3a1m s MET 80 N -1.21 1.78 0.17 1.68 0.23 -1.26 -5.05 119.30 115.64 3a1m s MET 80 Ca -0.06 -1.05 0.10 0.00 -1.03 0.00 0.00 55.69 53.65 3a1m s MET 80 Cb -0.08 0.56 -0.11 0.00 -1.53 0.00 0.00 34.83 33.66 3a1m s MET 80 CO 0.00 -0.82 1.31 0.00 -2.03 0.00 0.00 175.02 173.48 3a1m h ALA 81 N 2.00 0.48 -2.45 3.16 0.00 -2.09 -3.46 119.26 116.90 3a1m h ALA 81 Ca -0.25 -0.77 0.09 0.00 0.00 0.00 0.00 54.91 53.98 3a1m h ALA 81 Cb 1.24 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3a1m h ALA 81 CO 0.30 1.04 0.43 -1.54 0.00 0.00 0.00 179.25 179.48 3a1m s SER 82 N -6.59 -0.38 -0.03 0.00 1.04 -1.26 -5.16 113.70 101.31 3a1m s SER 82 Ca 0.02 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.43 3a1m s SER 82 Cb 0.09 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 3a1m s SER 82 CO 0.79 -0.74 -0.14 -0.32 0.98 0.00 0.00 173.24 173.81 3a1m s MET 83 N -3.28 1.45 -0.12 4.02 0.00 -1.26 -5.11 119.30 115.00 3a1m s MET 83 Ca 0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 55.69 55.22 3a1m s MET 83 Cb -0.01 -1.30 0.04 0.00 0.00 0.00 0.00 34.83 33.56 3a1m s MET 83 CO -0.08 0.21 -0.00 0.45 0.00 0.00 0.00 175.02 175.60 3a1m s SER 84 N 0.04 2.11 -0.21 1.11 0.15 -1.26 -5.12 113.70 110.52 3a1m s SER 84 Ca -0.02 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 3a1m s SER 84 Cb -0.10 -0.57 0.06 0.00 -1.71 0.00 0.00 66.02 63.70 3a1m s SER 84 CO 0.01 -0.21 -0.00 -0.55 1.20 0.00 0.00 173.24 173.68 3a1m s SER 85 N 1.88 3.26 -0.14 5.45 0.15 -1.26 -5.11 113.70 117.94 3a1m s SER 85 Ca 0.03 -0.95 -0.00 0.00 0.70 0.00 0.00 55.95 55.73 3a1m s SER 85 Cb -0.14 -0.84 0.03 0.00 -1.71 0.00 0.00 66.02 63.36 3a1m s SER 85 CO -0.07 -0.27 -0.07 -0.63 1.20 0.00 0.00 173.24 173.41 3a1m s ILE 86 N 1.66 1.07 -0.02 6.45 1.01 -1.26 -5.13 121.20 124.99 3a1m s ILE 86 Ca -0.03 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 3a1m s ILE 86 Cb -0.18 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3a1m s ILE 86 CO -0.07 0.26 0.32 -0.94 0.00 0.00 0.00 174.94 174.50 3a1m s SER 87 N 1.67 6.64 0.50 3.58 1.04 -1.26 -4.99 113.70 120.88 3a1m s SER 87 Ca 0.03 0.76 0.29 0.00 0.48 0.00 0.00 55.95 57.51 3a1m s SER 87 Cb -0.14 -2.17 0.95 0.00 0.10 0.00 0.00 66.02 64.75 3a1m s SER 87 CO -0.08 0.32 1.83 0.77 0.98 0.00 0.00 173.24 177.06 3a1m h SER 88 N 4.59 0.00 0.00 7.02 4.64 -2.07 -3.45 113.55 124.27 3a1m h SER 88 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 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 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 3a1m n GLY 89 N 0.45 4.52 3.80 -0.77 0.00 -1.26 -5.10 105.19 106.83 3a1m n GLY 89 Ca 0.02 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 3.48 3.70 -0.15 1.61 -0.21 -1.26 -5.04 119.66 121.79 3a1m s GLN 90 Ca 0.00 1.30 -0.01 0.00 0.02 0.00 0.00 55.36 56.67 3a1m s GLN 90 Cb 0.00 -2.08 0.04 0.00 1.00 0.00 0.00 33.01 31.97 3a1m s GLN 90 CO 0.00 -0.51 -0.04 -0.47 -2.12 0.00 0.00 175.29 172.16 3a1m s TYR 91 N -2.12 1.49 -0.06 0.91 5.04 -1.26 -4.91 117.35 116.44 3a1m s TYR 91 Ca 0.66 -0.92 0.04 0.00 -2.44 0.00 0.00 57.07 54.41 3a1m s TYR 91 Cb -0.16 -1.22 -0.00 0.00 0.35 0.00 0.00 41.96 40.93 3a1m s TYR 91 CO 0.24 -0.57 -0.18 0.99 -1.34 0.00 0.00 175.55 174.69 3a1m s THR 92 N 1.70 1.55 -0.01 4.34 2.01 -1.26 -5.12 115.64 118.85 3a1m s THR 92 Ca 0.01 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.30 3a1m s THR 92 Cb -0.15 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 3a1m s THR 92 CO -0.07 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.53 3a1m s ILE 93 N 0.20 1.12 0.01 1.82 1.01 -1.26 -5.14 121.20 118.96 3a1m s ILE 93 Ca -0.09 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 3a1m s ILE 93 Cb -0.14 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.40 3a1m s ILE 93 CO 0.04 0.32 0.16 -0.62 0.00 0.00 0.00 174.94 174.84 3a1m s ASP 94 N -0.29 0.02 0.25 3.58 -1.08 -1.26 -5.17 116.67 112.72 3a1m s ASP 94 Ca 0.05 -0.23 -0.21 0.00 -0.52 0.00 0.00 52.55 51.63 3a1m s ASP 94 Cb -0.06 0.23 0.05 0.00 -1.46 0.00 0.00 42.92 41.68 3a1m s ASP 94 CO -0.00 -0.42 0.87 -0.83 0.52 0.00 0.00 175.17 175.31 3a1m s GLY 95 N -1.55 0.04 0.23 2.66 0.00 -1.26 -5.05 107.32 102.39 3a1m s GLY 95 Ca -0.12 -0.32 0.06 0.00 0.00 0.00 0.00 44.72 44.34 3a1m s GLY 95 CO 0.01 0.41 1.53 1.48 0.00 0.00 0.00 173.10 176.52 3a1m h SER 96 N 2.00 0.15 -3.64 1.64 4.64 -2.08 -3.42 113.55 112.85 3a1m h SER 96 Ca -0.26 -0.10 -0.30 0.00 -0.47 0.00 0.00 61.79 60.66 3a1m h SER 96 Cb 1.24 -0.05 -0.31 0.00 -0.31 0.00 0.00 62.40 62.97 3a1m h SER 96 CO 0.31 0.79 -0.74 -0.13 -0.87 0.00 0.00 176.83 176.19 3a1m s ARG 97 N -3.55 0.17 -0.22 4.77 0.52 -1.26 -5.14 118.95 114.24 3a1m s ARG 97 Ca -0.03 0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 3a1m s ARG 97 Cb 0.12 -0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.32 3a1m s ARG 97 CO 0.79 -0.06 -0.11 0.42 0.02 0.00 0.00 175.30 176.36 3a1m s ILE 98 N 0.53 2.61 -0.19 1.52 1.01 -1.26 -5.10 121.20 120.33 3a1m s ILE 98 Ca -0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 3a1m s ILE 98 Cb -0.08 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3a1m s ILE 98 CO -0.01 0.36 -0.06 -1.81 0.00 0.00 0.00 174.94 173.42 3a1m s ASP 99 N 1.33 4.38 -0.19 3.58 1.11 -1.26 -5.10 116.67 120.51 3a1m s ASP 99 Ca 0.02 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.44 3a1m s ASP 99 Cb -0.15 -1.73 0.05 0.00 1.07 0.00 0.00 42.92 42.16 3a1m s ASP 99 CO -0.08 0.06 -0.06 -0.63 1.18 0.00 0.00 175.17 175.65 3a1m s ILE 100 N 0.99 1.32 0.00 0.77 1.01 -1.26 -5.26 121.20 118.77 3a1m s ILE 100 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3a1m s ILE 100 Cb -0.15 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3a1m s ILE 100 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61