#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6p s THR 5 N 0.00 2.88 0.03 2.61 -4.23 -1.26 -5.12 115.64 110.54 1a6p s THR 5 Ca 0.00 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.67 1a6p s THR 5 Cb 0.00 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1a6p s THR 5 CO 0.00 0.51 -0.17 0.68 -0.54 0.00 0.00 174.62 175.10 1a6p s VAL 6 N -0.78 2.86 -0.15 2.29 -7.23 -1.26 -5.12 120.40 111.01 1a6p s VAL 6 Ca 0.12 -1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 1a6p s VAL 6 Cb -0.11 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1a6p s VAL 6 CO 0.02 0.37 0.02 0.26 -0.31 0.00 0.00 175.10 175.46 1a6p s TRP 7 N -0.91 3.17 0.40 2.82 0.52 -1.26 -5.11 118.94 118.58 1a6p s TRP 7 Ca 0.14 -0.00 0.07 0.00 0.02 0.00 0.00 56.10 56.33 1a6p s TRP 7 Cb -0.11 -1.96 -0.07 0.00 -1.15 0.00 0.00 33.47 30.18 1a6p s TRP 7 CO 0.05 0.19 0.04 0.20 0.02 0.00 0.00 176.95 177.45 1a6p s GLY 8 N 0.02 2.42 -0.02 0.98 0.00 -1.26 -5.11 107.32 104.34 1a6p s GLY 8 Ca 0.03 -2.22 0.03 0.00 0.00 0.00 0.00 44.72 42.56 1a6p s GLY 8 CO 0.02 -2.04 -0.11 0.00 0.00 0.00 0.00 173.10 170.97 1a6p s ALA 9 N -2.66 0.95 0.16 3.20 0.00 -1.26 -5.11 121.76 117.04 1a6p s ALA 9 Ca 0.36 -0.44 -0.34 0.00 0.00 0.00 0.00 51.96 51.54 1a6p s ALA 9 Cb 0.07 -0.29 -0.15 0.00 0.00 0.00 0.00 23.12 22.75 1a6p s ALA 9 CO 0.19 0.20 1.41 -0.11 0.00 0.00 0.00 175.76 177.45 1a6p n LEU 10 N 3.02 2.43 0.00 0.00 7.94 -1.26 -1.44 117.00 127.69 1a6p n LEU 10 Ca -0.16 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 1a6p n LEU 10 Cb 0.55 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.18 1a6p n LEU 10 CO 0.25 -0.71 0.00 0.61 -1.11 0.00 0.00 177.39 176.43 1a6p n GLY 11 N 2.67 2.44 3.98 -3.96 0.00 -1.26 -5.02 105.19 104.04 1a6p n GLY 11 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1a6p n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a6p s HIS 12 N -2.41 3.10 0.60 1.61 3.76 -0.52 -5.13 115.29 116.29 1a6p s HIS 12 Ca 0.00 -0.22 0.10 0.00 -0.15 0.00 0.00 55.06 54.78 1a6p s HIS 12 Cb 0.00 -1.99 0.10 0.00 1.11 0.00 0.00 32.58 31.80 1a6p s HIS 12 CO 0.00 -0.00 0.83 0.20 -0.85 0.00 0.00 174.74 174.91 1a6p s GLY 13 N -4.17 1.70 -0.21 -2.22 0.00 -1.26 -4.80 107.32 96.37 1a6p s GLY 13 Ca 0.45 -2.20 -0.28 0.00 0.00 0.00 0.00 44.72 42.69 1a6p s GLY 13 CO 0.31 -1.70 1.04 -1.50 0.00 0.00 0.00 173.10 171.25 1a6p s ILE 14 N -2.72 0.00 -0.28 0.90 2.07 -1.26 -4.84 121.20 115.06 1a6p s ILE 14 Ca 0.63 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.80 1a6p s ILE 14 Cb -0.05 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1a6p s ILE 14 CO 0.40 0.00 0.07 0.20 -1.91 0.00 0.00 174.94 173.70 1a6p s ASN 15 N -0.62 5.08 -0.47 4.50 -0.87 -1.26 -5.05 114.94 116.24 1a6p s ASN 15 Ca 0.01 -0.61 -0.28 0.00 -1.57 0.00 0.00 52.86 50.41 1a6p s ASN 15 Cb -0.02 -1.88 0.03 0.00 -0.02 0.00 0.00 41.25 39.36 1a6p s ASN 15 CO -0.02 -0.16 1.08 -0.76 -2.57 0.00 0.00 177.10 174.67 1a6p s LEU 16 N 1.52 3.73 -0.06 0.60 1.43 -1.26 -5.00 118.68 119.65 1a6p s LEU 16 Ca 0.03 0.37 -0.26 0.00 -1.03 0.00 0.00 54.13 53.25 1a6p s LEU 16 Cb -0.17 -3.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1a6p s LEU 16 CO 0.02 -1.20 0.82 0.20 0.23 0.00 0.00 176.35 176.42 1a6p s ASN 17 N 2.41 7.13 -0.08 2.29 -0.87 -1.26 -5.00 114.94 119.55 1a6p s ASN 17 Ca 0.45 1.36 -0.29 0.00 -1.57 0.00 0.00 52.86 52.81 1a6p s ASN 17 Cb -0.08 -2.48 -0.06 0.00 -0.02 0.00 0.00 41.25 38.62 1a6p s ASN 17 CO 0.30 -0.21 1.79 -0.63 -2.57 0.00 0.00 177.10 175.78 1a6p s ILE 18 N 1.06 3.39 -0.00 0.60 1.01 -1.26 -4.90 121.20 121.10 1a6p s ILE 18 Ca 0.43 0.46 -0.36 0.00 0.00 0.00 0.00 60.65 61.19 1a6p s ILE 18 Cb -0.19 -3.34 -0.14 0.00 0.01 0.00 0.00 42.46 38.80 1a6p s ILE 18 CO 0.21 -0.09 1.64 -2.65 0.00 0.00 0.00 174.94 174.05 1a6p n PRO 19 N 7.51 1.75 -3.16 2.79 -0.02 -1.26 -3.83 135.00 138.77 1a6p n PRO 19 Ca 0.20 0.64 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 1a6p n PRO 19 Cb 0.43 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1a6p n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1a6p n ASN 20 N 4.45 -4.84 -3.64 2.55 4.13 -1.26 -4.99 115.26 111.67 1a6p n ASN 20 Ca 0.21 -0.10 -0.09 0.00 1.68 0.00 0.00 54.58 56.27 1a6p n ASN 20 Cb 0.24 -1.38 -0.07 0.00 -1.54 0.00 0.00 39.78 37.02 1a6p n ASN 20 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1a6p s PHE 21 N -1.23 -0.53 -0.08 3.10 5.36 -1.25 -5.16 117.98 118.20 1a6p s PHE 21 Ca 0.31 1.26 0.03 0.00 -0.96 0.00 0.00 56.93 57.56 1a6p s PHE 21 Cb -0.03 0.36 0.01 0.00 -0.34 0.00 0.00 43.02 43.02 1a6p s PHE 21 CO 0.70 -0.25 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.91 1a6p s GLN 22 N 0.35 2.10 0.05 10.12 0.74 -1.26 -4.95 119.66 126.81 1a6p s GLN 22 Ca 0.02 -0.54 -0.30 0.00 0.05 0.00 0.00 55.36 54.58 1a6p s GLN 22 Cb -0.05 -1.69 -0.08 0.00 1.10 0.00 0.00 33.01 32.29 1a6p s GLN 22 CO -0.06 0.05 1.67 1.41 -0.55 0.00 0.00 175.29 177.80 1a6p s MET 23 N 0.64 4.19 0.46 1.67 -2.45 -1.26 -5.01 119.30 117.55 1a6p s MET 23 Ca -0.14 2.32 0.03 0.00 -1.25 0.00 0.00 55.69 56.65 1a6p s MET 23 Cb -0.16 -3.67 -0.03 0.00 1.25 0.00 0.00 34.83 32.21 1a6p s MET 23 CO 0.04 -0.76 0.03 0.95 1.05 0.00 0.00 175.02 176.33 1a6p s THR 24 N 2.90 1.21 -1.35 10.11 -4.23 -1.26 -5.02 115.64 117.99 1a6p s THR 24 Ca 0.74 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.52 1a6p s THR 24 Cb -0.39 -2.38 0.42 0.00 1.34 0.00 0.00 72.50 71.48 1a6p s THR 24 CO 0.32 0.00 1.88 0.47 -0.54 0.00 0.00 174.62 176.75 1a6p n ASP 25 N -1.18 0.00 -1.65 3.99 9.92 -1.26 -3.43 116.55 122.94 1a6p n ASP 25 Ca -0.13 0.01 -0.08 0.00 -0.53 0.00 0.00 54.79 54.06 1a6p n ASP 25 Cb 0.67 -0.32 0.16 0.00 -0.64 0.00 0.00 41.12 40.99 1a6p n ASP 25 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1a6p n ASP 26 N -1.32 3.67 -4.27 -2.24 8.00 -1.26 -4.85 116.55 114.28 1a6p n ASP 26 Ca 0.11 -2.88 -0.34 0.00 0.71 0.00 0.00 54.79 52.39 1a6p n ASP 26 Cb 0.23 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.50 1a6p n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a6p s ILE 27 N -2.11 3.02 -0.20 0.53 -1.09 -1.22 -5.00 121.20 115.13 1a6p s ILE 27 Ca 0.36 -0.62 -0.16 0.00 -2.23 0.00 0.00 60.65 58.00 1a6p s ILE 27 Cb 0.29 -2.34 -0.20 0.00 -1.58 0.00 0.00 42.46 38.63 1a6p s ILE 27 CO 0.08 0.46 0.14 -0.67 -1.23 0.00 0.00 174.94 173.72 1a6p n ASP 28 N 4.58 1.95 -3.88 3.58 2.03 -1.26 -4.80 116.55 118.75 1a6p n ASP 28 Ca -0.19 0.33 -0.12 0.00 0.52 0.00 0.00 54.79 55.33 1a6p n ASP 28 Cb 0.51 -0.89 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 1a6p n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1a6p s GLU 29 N -2.44 0.09 -0.11 -0.67 2.12 -1.26 -0.77 118.70 115.65 1a6p s GLU 29 Ca -0.29 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 54.97 1a6p s GLU 29 Cb 0.08 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.52 1a6p s GLU 29 CO 0.62 -0.01 -0.12 0.08 -0.54 0.00 0.00 175.26 175.28 1a6p s VAL 30 N -0.25 1.33 -0.09 3.70 1.01 -0.63 -4.99 120.40 120.48 1a6p s VAL 30 Ca -0.03 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1a6p s VAL 30 Cb -0.02 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1a6p s VAL 30 CO -0.00 0.41 -0.15 -0.60 0.00 0.00 0.00 175.10 174.76 1a6p s ARG 31 N 1.26 2.08 -0.14 2.72 3.52 -1.26 -1.49 118.95 125.64 1a6p s ARG 31 Ca -0.02 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 1a6p s ARG 31 Cb -0.14 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.52 1a6p s ARG 31 CO -0.05 0.02 -0.10 -1.58 -0.81 0.00 0.00 175.30 172.78 1a6p s TRP 32 N 0.74 2.89 0.09 5.12 0.52 -0.15 -5.01 118.94 123.14 1a6p s TRP 32 Ca -0.12 -0.54 0.03 0.00 0.02 0.00 0.00 56.10 55.48 1a6p s TRP 32 Cb -0.16 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1a6p s TRP 32 CO 0.03 -0.17 -0.08 -1.21 0.02 0.00 0.00 176.95 175.54 1a6p s GLU 33 N 0.40 0.81 -0.29 4.98 2.02 -1.26 -0.77 118.70 124.60 1a6p s GLU 33 Ca -0.08 -1.20 -0.03 0.00 0.02 0.00 0.00 54.97 53.68 1a6p s GLU 33 Cb -0.15 -0.35 0.10 0.00 0.10 0.00 0.00 34.13 33.82 1a6p s GLU 33 CO 0.04 0.03 0.11 0.50 0.02 0.00 0.00 175.26 175.97 1a6p s ARG 34 N -3.15 0.38 7.17 1.61 3.52 -0.03 -4.86 118.95 123.59 1a6p s ARG 34 Ca 0.07 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1a6p s ARG 34 Cb 0.00 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.87 1a6p s ARG 34 CO -0.02 -0.97 0.00 0.41 -0.81 0.00 0.00 175.30 173.91 1a6p n GLY 35 N 5.10 2.28 0.44 8.12 0.00 -1.26 -1.30 105.19 118.57 1a6p n GLY 35 Ca -0.05 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1a6p n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a6p n SER 36 N 5.73 1.36 -4.76 1.61 3.41 -1.26 -4.89 113.62 114.82 1a6p n SER 36 Ca 0.00 -1.47 -0.39 0.00 -0.26 0.00 0.00 58.87 56.75 1a6p n SER 36 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1a6p n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a6p s THR 37 N -1.98 4.91 -0.33 6.66 2.01 -0.42 -5.04 115.64 121.45 1a6p s THR 37 Ca 0.38 1.24 -0.20 0.00 0.31 0.00 0.00 61.69 63.42 1a6p s THR 37 Cb 0.21 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.78 1a6p s THR 37 CO 0.33 0.42 0.63 -0.22 -0.69 0.00 0.00 174.62 175.09 1a6p s LEU 38 N -0.20 4.19 -0.19 4.42 2.96 -1.26 -0.85 118.68 127.75 1a6p s LEU 38 Ca 0.31 0.30 -0.22 0.00 -0.22 0.00 0.00 54.13 54.30 1a6p s LEU 38 Cb -0.18 -2.80 -0.21 0.00 0.50 0.00 0.00 46.19 43.50 1a6p s LEU 38 CO 0.17 -0.52 0.33 0.58 -1.32 0.00 0.00 176.35 175.58 1a6p h VAL 39 N 5.60 1.07 -3.07 1.68 2.07 -1.28 -3.48 116.25 118.83 1a6p h VAL 39 Ca -0.27 -2.22 -0.09 0.00 0.82 0.00 0.00 66.70 64.94 1a6p h VAL 39 Cb 1.12 2.45 -0.17 0.00 -1.52 0.00 0.00 31.29 33.16 1a6p h VAL 39 CO 0.81 0.39 -0.17 0.00 0.02 0.00 0.00 177.57 178.62 1a6p s ALA 40 N -2.35 -0.89 -0.26 1.67 0.00 -1.02 -5.01 121.76 113.91 1a6p s ALA 40 Ca -0.27 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 51.77 1a6p s ALA 40 Cb 0.04 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.50 1a6p s ALA 40 CO 0.62 -0.40 0.65 -2.00 0.00 0.00 0.00 175.76 174.63 1a6p s GLU 41 N -2.22 0.70 -0.09 0.00 2.12 -1.26 -0.98 118.70 116.97 1a6p s GLU 41 Ca -0.07 1.08 0.03 0.00 0.36 0.00 0.00 54.97 56.37 1a6p s GLU 41 Cb -0.02 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1a6p s GLU 41 CO -0.01 -0.13 -0.18 0.12 -0.54 0.00 0.00 175.26 174.52 1a6p s PHE 42 N 1.19 2.07 -0.09 5.30 5.36 -0.55 -5.00 117.98 126.27 1a6p s PHE 42 Ca -0.07 -0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 55.02 1a6p s PHE 42 Cb -0.05 -1.44 0.04 0.00 -0.34 0.00 0.00 43.02 41.23 1a6p s PHE 42 CO -0.12 -0.38 0.10 0.21 -1.46 0.00 0.00 175.22 173.56 1a6p s LYS 43 N 0.58 -0.01 -0.04 10.12 2.20 -1.26 -1.61 119.74 129.73 1a6p s LYS 43 Ca -0.15 0.32 -0.14 0.00 -0.36 0.00 0.00 55.97 55.65 1a6p s LYS 43 Cb -0.17 -0.76 -0.08 0.00 -1.51 0.00 0.00 37.83 35.32 1a6p s LYS 43 CO 0.05 -0.41 0.58 0.00 -0.36 0.00 0.00 175.35 175.21 1a6p h ARG 44 N 8.41 -0.47 -7.03 4.03 3.08 -1.27 -3.46 114.38 117.67 1a6p h ARG 44 Ca -0.13 0.03 -0.48 0.00 0.07 0.00 0.00 59.98 59.47 1a6p h ARG 44 Cb 1.13 0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.31 1a6p h ARG 44 CO 0.18 -0.32 0.40 0.15 -1.07 0.00 0.00 179.97 179.32 1a6p s LYS 45 N -3.15 3.94 1.04 0.04 1.02 -1.26 -5.04 119.74 116.33 1a6p s LYS 45 Ca -0.07 1.43 -0.12 0.00 0.02 0.00 0.00 55.97 57.23 1a6p s LYS 45 Cb 0.01 -2.27 0.22 0.00 -0.52 0.00 0.00 37.83 35.26 1a6p s LYS 45 CO 0.21 -0.33 1.07 -2.14 -0.92 0.00 0.00 175.35 173.25 1a6p s PRO 48 N -2.94 0.05 -0.05 -1.68 0.02 -1.26 -5.00 135.00 124.14 1a6p s PRO 48 Ca 0.64 0.83 -0.16 0.00 0.02 0.00 0.00 61.00 62.32 1a6p s PRO 48 Cb -0.19 -1.67 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1a6p s PRO 48 CO 0.23 -3.07 0.43 0.12 -0.33 0.00 0.00 177.00 174.38 1a6p s PHE 49 N -2.71 3.63 -0.04 6.54 5.36 -1.26 -5.07 117.98 124.44 1a6p s PHE 49 Ca 0.66 0.94 -0.02 0.00 -0.96 0.00 0.00 56.93 57.56 1a6p s PHE 49 Cb -0.22 -2.40 0.03 0.00 -0.34 0.00 0.00 43.02 40.09 1a6p s PHE 49 CO 0.61 0.43 0.07 -0.51 -1.46 0.00 0.00 175.22 174.36 1a6p s LEU 50 N -0.33 0.47 0.31 6.12 1.43 -1.26 -4.94 118.68 120.47 1a6p s LEU 50 Ca 0.24 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1a6p s LEU 50 Cb -0.16 -0.01 0.70 0.00 0.03 0.00 0.00 46.19 46.75 1a6p s LEU 50 CO 0.12 -0.20 1.81 0.50 0.23 0.00 0.00 176.35 178.81 1a6p h LYS 51 N 7.94 0.80 0.00 1.70 3.64 -1.97 -3.46 116.57 125.23 1a6p h LYS 51 Ca -0.26 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1a6p h LYS 51 Cb 1.12 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1a6p h LYS 51 CO 0.28 0.53 0.26 -1.13 -2.27 0.00 0.00 179.45 177.12 1a6p n SER 52 N -4.68 -1.48 0.00 4.20 3.41 -1.26 -5.02 113.62 108.79 1a6p n SER 52 Ca 0.21 -1.96 0.11 0.00 -0.26 0.00 0.00 58.87 56.96 1a6p n SER 52 Cb 0.49 2.46 0.50 0.00 -0.26 0.00 0.00 64.21 67.40 1a6p n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6p n GLY 53 N -0.42 -1.16 0.00 5.00 0.00 -1.26 -2.66 105.19 104.69 1a6p n GLY 53 Ca -0.05 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1a6p n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6p n ALA 54 N -1.42 2.63 -2.22 4.61 0.00 -1.26 -4.82 120.51 118.03 1a6p n ALA 54 Ca 0.07 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1a6p n ALA 54 Cb 0.22 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.13 1a6p n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1a6p s PHE 55 N -2.00 1.11 -0.27 0.00 0.08 -1.09 -1.04 117.98 114.77 1a6p s PHE 55 Ca 0.41 -0.91 -0.26 0.00 0.12 0.00 0.00 56.93 56.30 1a6p s PHE 55 Cb 0.19 -0.61 0.12 0.00 -0.57 0.00 0.00 43.02 42.15 1a6p s PHE 55 CO 0.32 -0.10 1.03 -1.83 -0.10 0.00 0.00 175.22 174.53 1a6p s GLU 56 N -3.84 0.51 -0.22 0.44 -1.05 -0.78 -4.87 118.70 108.90 1a6p s GLU 56 Ca 0.17 0.54 -0.09 0.00 -0.15 0.00 0.00 54.97 55.44 1a6p s GLU 56 Cb 0.05 0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 1a6p s GLU 56 CO -0.00 -0.08 0.11 -1.50 0.95 0.00 0.00 175.26 174.74 1a6p s ILE 57 N 0.06 4.92 0.92 1.83 2.07 -1.26 -0.40 121.20 129.34 1a6p s ILE 57 Ca 0.03 0.03 -0.13 0.00 -1.41 0.00 0.00 60.65 59.16 1a6p s ILE 57 Cb -0.04 -3.27 0.14 0.00 0.13 0.00 0.00 42.46 39.41 1a6p s ILE 57 CO -0.05 0.38 1.16 -0.76 -1.91 0.00 0.00 174.94 173.75 1a6p s LEU 58 N 0.97 2.06 0.13 8.50 1.43 0.29 -4.91 118.68 127.16 1a6p s LEU 58 Ca 0.05 0.87 -0.22 0.00 -1.03 0.00 0.00 54.13 53.81 1a6p s LEU 58 Cb -0.14 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1a6p s LEU 58 CO 0.03 -2.56 1.67 0.00 0.23 0.00 0.00 176.35 175.73 1a6p h ALA 59 N -1.50 -0.03 0.00 4.21 0.00 -1.99 -0.41 119.26 119.53 1a6p h ALA 59 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1a6p h ALA 59 Cb 1.32 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1a6p h ALA 59 CO 0.59 -0.59 0.00 0.27 0.00 0.00 0.00 179.25 179.53 1a6p n ASN 60 N -5.29 0.00 0.00 0.00 0.23 -1.26 -4.82 115.26 104.11 1a6p n ASN 60 Ca -0.02 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 1a6p n ASN 60 Cb 0.21 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 1a6p n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a6p n GLY 61 N -0.60 0.77 3.81 4.83 0.00 -0.16 -5.08 105.19 108.75 1a6p n GLY 61 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1a6p n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6p s ASP 62 N -2.45 6.13 -0.26 1.61 1.01 -1.26 -4.70 116.67 116.75 1a6p s ASP 62 Ca 0.00 1.81 -0.12 0.00 0.71 0.00 0.00 52.55 54.95 1a6p s ASP 62 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1a6p s ASP 62 CO 0.00 -0.92 0.23 -0.22 0.21 0.00 0.00 175.17 174.46 1a6p s LEU 63 N -4.06 4.05 -0.27 1.23 1.98 -1.26 -0.55 118.68 119.80 1a6p s LEU 63 Ca 0.64 0.10 -0.09 0.00 -2.89 0.00 0.00 54.13 51.90 1a6p s LEU 63 Cb -0.15 -2.20 -0.02 0.00 0.66 0.00 0.00 46.19 44.48 1a6p s LEU 63 CO 0.30 -0.05 0.12 -0.75 -1.89 0.00 0.00 176.35 174.07 1a6p s LYS 64 N 1.64 3.59 -0.37 1.98 2.20 0.46 -5.00 119.74 124.23 1a6p s LYS 64 Ca 0.09 -0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 55.05 1a6p s LYS 64 Cb -0.15 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1a6p s LYS 64 CO 0.09 -0.27 0.23 0.42 -0.36 0.00 0.00 175.35 175.46 1a6p s ILE 65 N 1.64 4.80 0.10 5.43 1.01 -1.26 -1.86 121.20 131.05 1a6p s ILE 65 Ca 0.06 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.77 1a6p s ILE 65 Cb -0.16 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.55 1a6p s ILE 65 CO 0.06 -0.21 1.74 0.11 0.00 0.00 0.00 174.94 176.64 1a6p h LYS 66 N 8.48 0.10 -3.79 2.79 1.57 -1.42 -3.42 116.57 120.88 1a6p h LYS 66 Ca -0.27 -0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 57.96 1a6p h LYS 66 Cb 1.12 -0.02 -0.39 0.00 0.08 0.00 0.00 32.23 33.01 1a6p h LYS 66 CO 0.68 0.08 -0.77 1.21 -0.57 0.00 0.00 179.45 180.08 1a6p s ASN 67 N -5.28 3.20 0.17 0.86 2.47 -1.26 -5.12 114.94 109.98 1a6p s ASN 67 Ca -0.13 -0.93 -0.30 0.00 0.42 0.00 0.00 52.86 51.92 1a6p s ASN 67 Cb 0.07 -0.77 -0.08 0.00 -1.45 0.00 0.00 41.25 39.02 1a6p s ASN 67 CO 0.67 -0.28 1.16 -0.76 -3.72 0.00 0.00 177.10 174.17 1a6p s LEU 68 N 1.72 4.46 0.16 3.21 1.43 -1.26 -5.04 118.68 123.35 1a6p s LEU 68 Ca -0.02 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1a6p s LEU 68 Cb -0.18 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1a6p s LEU 68 CO -0.07 -0.32 0.04 0.42 0.23 0.00 0.00 176.35 176.64 1a6p s THR 69 N -0.01 0.39 0.30 5.49 -4.23 -1.26 -5.05 115.64 111.27 1a6p s THR 69 Ca 0.52 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 1a6p s THR 69 Cb -0.31 -2.13 0.29 0.00 1.34 0.00 0.00 72.50 71.69 1a6p s THR 69 CO 0.35 -0.42 1.78 -0.09 -0.54 0.00 0.00 174.62 175.70 1a6p h ARG 70 N 2.75 0.77 0.00 3.99 2.43 -1.96 -0.40 114.38 121.96 1a6p h ARG 70 Ca -0.36 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1a6p h ARG 70 Cb 1.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1a6p h ARG 70 CO 0.61 0.51 0.00 -0.40 -1.51 0.00 0.00 179.97 179.17 1a6p n ASP 71 N -4.75 0.00 -0.23 -3.80 5.68 -1.26 -2.63 116.55 109.56 1a6p n ASP 71 Ca 0.22 -0.80 0.10 0.00 -0.50 0.00 0.00 54.79 53.81 1a6p n ASP 71 Cb 0.53 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.46 1a6p n ASP 71 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1a6p n ASP 72 N -0.75 1.42 -4.87 -1.12 8.00 -0.16 -4.98 116.55 114.10 1a6p n ASP 72 Ca 0.06 -1.21 -0.31 0.00 0.71 0.00 0.00 54.79 54.04 1a6p n ASP 72 Cb 0.03 0.74 0.01 0.00 -0.02 0.00 0.00 41.12 41.89 1a6p n ASP 72 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a6p s SER 73 N -2.60 6.16 0.00 -2.24 1.04 -1.08 -4.95 113.70 110.04 1a6p s SER 73 Ca 0.12 1.43 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1a6p s SER 73 Cb 0.16 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1a6p s SER 73 CO 0.67 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1a6p n GLY 74 N -2.71 0.75 3.66 7.32 0.00 0.29 -4.99 105.19 109.53 1a6p n GLY 74 Ca 0.06 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1a6p n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6p s THR 75 N -1.48 5.33 -0.20 2.61 2.01 -1.26 -0.40 115.64 122.25 1a6p s THR 75 Ca 0.00 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 1a6p s THR 75 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1a6p s THR 75 CO 0.00 0.33 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.93 1a6p s TYR 76 N 1.07 3.00 -0.20 4.92 1.51 -0.28 -4.96 117.35 122.41 1a6p s TYR 76 Ca 0.10 -0.62 -0.10 0.00 -1.01 0.00 0.00 57.07 55.43 1a6p s TYR 76 Cb -0.14 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1a6p s TYR 76 CO 0.05 -0.34 0.14 -0.80 -1.11 0.00 0.00 175.55 173.50 1a6p s ASN 77 N 1.11 6.22 -0.06 2.29 0.01 -1.26 -1.02 114.94 122.22 1a6p s ASN 77 Ca 0.02 0.24 0.02 0.00 -0.71 0.00 0.00 52.86 52.42 1a6p s ASN 77 Cb -0.14 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.39 1a6p s ASN 77 CO 0.01 0.16 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.98 1a6p s VAL 78 N 0.45 3.54 -0.03 1.60 1.01 -0.17 -4.99 120.40 121.81 1a6p s VAL 78 Ca 0.09 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1a6p s VAL 78 Cb -0.11 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1a6p s VAL 78 CO -0.01 0.59 0.03 -0.89 0.00 0.00 0.00 175.10 174.82 1a6p s THR 79 N -0.80 0.01 -0.07 3.92 2.01 -1.26 -1.53 115.64 117.92 1a6p s THR 79 Ca 0.12 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.40 1a6p s THR 79 Cb -0.11 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1a6p s THR 79 CO 0.01 0.13 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.16 1a6p s VAL 80 N 1.33 2.27 -0.03 3.82 1.01 -0.95 -5.00 120.40 122.85 1a6p s VAL 80 Ca -0.06 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.02 1a6p s VAL 80 Cb -0.13 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1a6p s VAL 80 CO -0.03 0.57 -0.25 -0.31 0.00 0.00 0.00 175.10 175.08 1a6p s TYR 81 N -0.08 2.38 1.11 5.22 1.51 -1.26 -1.12 117.35 125.11 1a6p s TYR 81 Ca -0.05 -0.48 -0.18 0.00 -1.01 0.00 0.00 57.07 55.35 1a6p s TYR 81 Cb -0.14 -1.53 0.25 0.00 -0.11 0.00 0.00 41.96 40.43 1a6p s TYR 81 CO 0.04 -0.06 1.19 -1.54 -1.11 0.00 0.00 175.55 174.07 1a6p s SER 82 N -0.52 1.73 0.25 2.29 1.04 0.61 -4.88 113.70 114.23 1a6p s SER 82 Ca 0.07 0.51 -0.03 0.00 0.48 0.00 0.00 55.95 56.98 1a6p s SER 82 Cb -0.11 -0.68 0.45 0.00 0.10 0.00 0.00 66.02 65.78 1a6p s SER 82 CO 0.00 -3.61 1.78 0.71 0.98 0.00 0.00 173.24 173.10 1a6p h THR 83 N -2.24 0.82 -0.17 2.02 1.35 -2.01 -1.71 112.91 110.97 1a6p h THR 83 Ca -0.45 -0.24 -0.04 0.00 -0.55 0.00 0.00 66.41 65.13 1a6p h THR 83 Cb 1.27 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 1a6p h THR 83 CO 0.36 0.13 0.06 -0.46 -0.25 0.00 0.00 175.52 175.35 1a6p n ASN 84 N -4.82 2.50 0.00 5.36 0.23 -1.26 -4.85 115.26 112.43 1a6p n ASN 84 Ca 0.15 -2.28 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 1a6p n ASN 84 Cb 0.35 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 1a6p n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a6p n GLY 85 N 0.14 0.77 3.68 4.83 0.00 -0.64 -5.00 105.19 108.97 1a6p n GLY 85 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1a6p n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6p s THR 86 N -3.25 3.76 -0.60 2.61 2.01 -1.26 -4.72 115.64 114.20 1a6p s THR 86 Ca 0.00 1.11 -0.27 0.00 0.31 0.00 0.00 61.69 62.84 1a6p s THR 86 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1a6p s THR 86 CO 0.00 -0.02 1.85 -0.60 -0.69 0.00 0.00 174.62 175.16 1a6p s ARG 87 N 2.65 2.67 0.19 4.92 3.52 -1.26 -0.28 118.95 131.36 1a6p s ARG 87 Ca 0.64 0.65 0.25 0.00 -0.13 0.00 0.00 55.73 57.13 1a6p s ARG 87 Cb -0.31 -4.37 0.48 0.00 -1.56 0.00 0.00 34.95 29.19 1a6p s ARG 87 CO 0.26 -2.68 1.49 -0.84 -0.81 0.00 0.00 175.30 172.72 1a6p h ILE 88 N 6.88 0.00 -2.61 4.11 3.07 -1.46 -3.48 117.51 124.02 1a6p h ILE 88 Ca -0.26 -0.58 -0.08 0.00 1.55 0.00 0.00 64.86 65.49 1a6p h ILE 88 Cb 1.16 1.34 -0.18 0.00 -0.27 0.00 0.00 36.82 38.88 1a6p h ILE 88 CO 1.21 0.00 -0.00 -0.22 -1.05 0.00 0.00 178.15 178.08 1a6p s LEU 89 N -4.63 0.01 -0.32 0.16 0.20 -1.02 -4.98 118.68 108.09 1a6p s LEU 89 Ca 0.07 0.31 0.07 0.00 0.69 0.00 0.00 54.13 55.27 1a6p s LEU 89 Cb 0.12 2.01 0.19 0.00 -0.43 0.00 0.00 46.19 48.08 1a6p s LEU 89 CO 0.68 -0.61 0.60 -0.62 -0.29 0.00 0.00 176.35 176.11 1a6p s ASP 90 N -1.56 -1.60 0.41 3.68 -1.08 -1.26 -2.23 116.67 113.03 1a6p s ASP 90 Ca -0.09 -0.09 0.07 0.00 -0.52 0.00 0.00 52.55 51.92 1a6p s ASP 90 Cb -0.02 2.02 -0.07 0.00 -1.46 0.00 0.00 42.92 43.39 1a6p s ASP 90 CO 0.03 -0.26 0.06 -0.54 0.52 0.00 0.00 175.17 174.98 1a6p s LYS 91 N 2.55 2.05 -0.06 4.34 -0.14 -0.58 -4.97 119.74 122.93 1a6p s LYS 91 Ca 0.12 -2.04 -0.02 0.00 -1.36 0.00 0.00 55.97 52.67 1a6p s LYS 91 Cb -0.08 -1.74 0.04 0.00 -1.68 0.00 0.00 37.83 34.36 1a6p s LYS 91 CO -0.21 -0.08 0.10 0.00 -0.76 0.00 0.00 175.35 174.40 1a6p s ALA 92 N -2.68 0.08 -0.16 5.17 0.00 -1.26 -1.00 121.76 121.90 1a6p s ALA 92 Ca 0.36 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 1a6p s ALA 92 Cb 0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1a6p s ALA 92 CO 0.19 -0.51 -0.02 -0.51 0.00 0.00 0.00 175.76 174.91 1a6p s LEU 93 N 2.19 3.32 -0.63 0.00 1.43 -0.19 -4.94 118.68 119.85 1a6p s LEU 93 Ca 0.04 -0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 1a6p s LEU 93 Cb -0.12 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.38 1a6p s LEU 93 CO -0.04 0.16 0.81 -0.62 0.23 0.00 0.00 176.35 176.88 1a6p s ASP 94 N 0.45 6.20 -0.35 2.29 2.15 -1.26 -1.13 116.67 125.02 1a6p s ASP 94 Ca -0.02 -1.33 -0.24 0.00 0.43 0.00 0.00 52.55 51.38 1a6p s ASP 94 Cb -0.14 -2.34 0.01 0.00 -0.30 0.00 0.00 42.92 40.15 1a6p s ASP 94 CO 0.02 -1.22 0.82 -0.22 -0.17 0.00 0.00 175.17 174.41 1a6p s LEU 95 N 3.11 4.09 0.00 -1.34 2.96 0.46 -4.94 118.68 123.01 1a6p s LEU 95 Ca 0.16 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1a6p s LEU 95 Cb -0.21 -3.10 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 1a6p s LEU 95 CO 0.07 -0.74 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.19 1a6p s ARG 96 N 3.17 2.66 -0.14 1.98 0.52 -1.26 -0.54 118.95 125.34 1a6p s ARG 96 Ca 0.33 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 1a6p s ARG 96 Cb -0.13 -2.58 0.01 0.00 0.52 0.00 0.00 34.95 32.77 1a6p s ARG 96 CO 0.17 0.61 -0.20 0.42 0.02 0.00 0.00 175.30 176.32 1a6p s ILE 97 N -1.04 1.93 0.06 1.52 1.01 -1.26 -5.03 121.20 118.39 1a6p s ILE 97 Ca 0.18 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 1a6p s ILE 97 Cb -0.11 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1a6p s ILE 97 CO 0.09 0.52 0.95 -0.22 0.00 0.00 0.00 174.94 176.28 1a6p s LEU 98 N 0.92 4.44 0.00 2.97 2.96 -1.26 -5.05 118.68 123.67 1a6p s LEU 98 Ca -0.05 1.71 0.19 0.00 -0.22 0.00 0.00 54.13 55.75 1a6p s LEU 98 Cb -0.15 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.14 1a6p s LEU 98 CO -0.03 -0.13 1.10 -0.62 -1.32 0.00 0.00 176.35 175.35